0 B7R0.6 C=C(Br)CNC(C)=O SY264197 [0,0,0,0,0,0|4,0,0]=4 1 B7R0.6 C=C(C)CC[N+](=O)[O-] SY266593 [0,0,0,0,0,0|1,0,3]=4 2 B7R0.6 CC(=O)C=CC(C)=O SY233697 [0,0,0,0,0,0|2,0,1]=3 3 B7R0.6 CC(=O)CCC(N)=O SY273013 [0,0,0,0,0,0|2,0,1]=3 4 B7R0.6 CC(=O)NCC(=O)O SY013515 [0,0,0,0,0,0|2,0,0]=2 5 B7R0.6 CC(=O)OCC(C)O SY272306 [0,0,0,0,0,0|3,0,1]=4 6 B7R0.6 CC(C)CCB(O)O SY024043 [0,0,0,0,0,0|1,0,3]=4 7 B7R0.6 CC(C)CCC(=O)O SY001693 [0,0,0,0,0,0|0,0,2]=2 8 B7R0.6 CC(C)CC[N+](=O)[O-] SY224455 [0,0,0,0,0,0|1,0,3]=4 9 B7R0.6 CC(Cl)CCC(=O)Cl SY027798 [0,0,0,0,0,0|2,0,2]=4 10 B7R0.6 CC(O)CCC(=O)[O-] SY159293 [0,0,0,0,0,0|1,0,3]=4 11 B7R0.6 CN(C)CCC(=O)O SY031864 [0,0,0,0,0,0|1,0,1]=2 12 B7R0.6 CN(C)\C=C\[N+](=O)[O-] SY007004 [0,0,0,0,0,0|2,0,2]=4 13 B7R0.6 C[C@@H](N)CCC(=O)O SY297613 [0,0,0,0,0,0|1,0,2]=3 14 B7R0.6 C[C@H](N)CCC(=O)O SY297612 [0,0,0,0,0,0|1,0,2]=3 15 B7R0.6 N=C(N)NCC(=O)O SY015122 [0,0,0,0,0,0|3,0,0]=3 16 B7R0.6 NC(=O)CCC(N)=O SY057038 [0,0,0,0,0,0|3,0,1]=4 17 B7R0.6 O=C(O)CSC(F)F SY172606 [0,0,0,0,0,0|3,0,1]=4 18 B6R0.4 CC(=O)CCCO SY002852 [1,0,0,0,0,0|1,0,2]=4 19 B6R0.4 CC(C)CCCO SY016761 [1,0,0,0,0,0|0,0,3]=4 20 B6R0.4 CC(C)OCC=O SY269035 [1,0,0,0,0,0|1,0,1]=3 21 B6R0.4 CN(C)CCC=O SY022382 [1,0,0,0,0,0|1,0,1]=3 22 B6R0.4 CNCCC(=O)O SY005345 [1,0,0,0,0,0|1,0,1]=3 23 B6R0.4 CNCCC(=O)O SY112486 [1,0,0,0,0,0|1,0,1]=3 24 B6R0.4 COCCC(=O)O SY028921 [1,0,0,0,0,0|1,0,1]=3 25 B6R0.4 CO\C=C\C(C)=O SY029615 [1,0,0,0,0,0|2,0,1]=4 26 B6R0.4 N#CC=CC(=O)O SY249647 [1,0,0,0,0,0|1,0,2]=4 27 B6R0.4 N#CCCC(=O)O SY008516 [1,0,0,0,0,0|1,0,2]=4 28 B6R0.4 N#C\C=C/C(=O)O SY252923 [1,0,0,0,0,0|1,0,2]=4 29 B6R0.4 O=C(O)CCCBr SY001501 [1,0,0,0,0,0|1,0,2]=4 30 B6R0.4 O=C(O)\C=C\CBr SY028405 [1,0,0,0,0,0|1,0,2]=4 31 B6R0.4 O=C(O)\C=C\CO SY032954 [1,0,0,0,0,0|1,0,2]=4 32 B6R0.4 O=CNCC(=O)O SY052094 [1,0,0,0,0,0|2,0,0]=3 33 B8R0.9 CCC(=O)CCC(=O)O SY270773 [0,1,0,0,0,0|1,0,1]=3 34 B8R0.9 CN(C)CCC(=O)NN SY137573 [0,1,0,0,0,0|2,0,1]=4 35 B8R0.9 COC(=O)CCC(=O)O SY009523 [0,1,0,0,0,0|1,0,1]=3 36 B8R0.9 COC(=O)CCC(C)=O SY048239 [0,1,0,0,0,0|1,0,1]=3 37 B8R0.9 COC(=O)NCC(=O)O SY032049 [0,1,0,0,0,0|2,0,0]=3 38 B8R0.9 COC(=O)\C=C\C(=O)O SY039225 [0,1,0,0,0,0|1,0,1]=3 39 B8R0.9 COC(=O)\C=C\C(C)C SY263740 [0,1,0,0,0,0|0,0,2]=3 40 B8R0.9 NCC(=O)CCC(=O)O SY017972 [0,1,0,0,0,0|1,0,1]=3 41 B8R0.9 NCC(=O)NCC(=O)O SY018005 [0,1,0,0,0,0|2,0,0]=3 42 B8R0.9 NCC(=O)NCC(N)=O SY250873 [0,1,0,0,0,0|3,0,0]=4 43 B8R0.9 NNC(=O)NCC(=O)O SY249404 [0,1,0,0,0,0|3,0,0]=4 44 B8R0.23 C=C(NC(C)=O)C(=O)O SY026505 [0,1,0,0,0,0|2,0,1]=4 45 B8R0.23 CC(=O)CC(=O)C(C)C SY021087 [0,1,0,0,0,0|1,0,1]=3 46 B8R0.23 CC(=O)N(C)CC(=O)O SY168740 [0,1,0,0,0,0|2,0,0]=3 47 B8R0.23 CC(=O)NC(C)C(=O)O SY032572 [0,1,0,0,0,0|2,0,0]=3 48 B8R0.23 CC(=O)N[C@@H](C)C(=O)O SY038273 [0,1,0,0,0,0|2,0,0]=3 49 B8R0.23 CC(C)C(N)CC(=O)O SY016724 [0,1,0,0,0,0|0,0,2]=3 50 B8R0.23 CC(C)CC(N)C(=O)O SY006365 [0,1,0,0,0,0|0,0,2]=3 51 B8R0.23 CC(C)C[C@@H](N)C(=O)O SY033229 [0,1,0,0,0,0|0,0,2]=3 52 B8R0.23 CC(C)C[C@@H](O)C(=O)O SY066416 [0,1,0,0,0,0|0,0,2]=3 53 B8R0.23 CC(C)C[C@H](N)C(=O)O SY005863 [0,1,0,0,0,0|0,0,2]=3 54 B8R0.23 CC(C)C[C@H](O)C(=O)O SY066744 [0,1,0,0,0,0|0,0,2]=3 55 B8R0.23 CC(C)NC(=O)C(=O)O SY026403 [0,1,0,0,0,0|1,0,2]=4 56 B8R0.23 CC(C)[C@@H](N)CC(=O)O SY064256 [0,1,0,0,0,0|0,0,2]=3 57 B8R0.23 CC(C)[C@H](N)CC(=O)O SY077258 [0,1,0,0,0,0|0,0,2]=3 58 B8R0.23 CC(CC(=O)O)C(=O)O SY036933 [0,1,0,0,0,0|2,0,1]=4 59 B8R0.23 C[C@@H](CC(=O)O)C(=O)O SY104041 [0,1,0,0,0,0|2,0,1]=4 60 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O SY254067 [0,1,0,0,0,0|1,0,2]=4 61 B8R0.23 NC(=O)C[C@@H](N)C(=O)O SY004421 [0,1,0,0,0,0|2,0,1]=4 62 B8R0.23 NC(=O)C[C@@H](N)C(=O)O SY008178 [0,1,0,0,0,0|2,0,1]=4 63 B8R0.23 NC(=O)C[C@H](N)C(=O)O SY014875 [0,1,0,0,0,0|2,0,1]=4 64 B8R0.23 N[C@H](CC(=O)O)C(=O)O SY009812 [0,1,0,0,0,0|2,0,1]=4 65 B8R0.23 O=C(O)C[C@@H](O)C(=O)O SY009804 [0,1,0,0,0,0|2,0,1]=4 66 B8R0.23 O=C(O)C[C@H](F)C(=O)O SY247078 [0,1,0,0,0,0|2,0,1]=4 67 B8R0.23 O=C(O)C[C@H](O)C(=O)O SY003313 [0,1,0,0,0,0|2,0,1]=4 68 B8R0.29 CC(=O)CCC(C)(C)C SY200187 [0,1,0,0,0,0|1,0,2]=4 69 B8R0.29 CC(C)(C)NCC(=O)O SY045863 [0,1,0,0,0,0|1,0,1]=3 70 B8R0.29 CC(C)(C)OCC(=O)O SY040142 [0,1,0,0,0,0|1,0,1]=3 71 B8R0.29 CS(=O)(=O)CCC(=O)O SY028922 [0,1,0,0,0,0|2,0,1]=4 72 B8R0.29 CS(=O)(=O)NCC(=O)O SY015011 [0,1,0,0,0,0|3,0,0]=4 73 B8R0.29 C[Si](C)(C)C#CC(=O)O SY040249 [0,1,0,0,0,0|0,1,2]=4 74 B8R1.3 CC1=CN=C(O)C=C1 SY016466 [0,0,0,1,0,0|1,0,2]=4 75 B8R1.3 CC1=CNC(=O)C=N1 SY027652 [0,0,0,1,0,0|3,0,0]=4 76 B8R1.3 CC1=NC=C(O)C=C1 SY007644 [0,0,0,1,0,0|2,0,1]=4 77 B8R1.3 CC1=NNC(=O)C=C1 SY013962 [0,0,0,1,0,0|2,0,1]=4 78 B8R1.3 CC1=NNC(=O)C=C1 SY014239 [0,0,0,1,0,0|2,0,1]=4 79 B8R1.3 CC1=NNC(=O)CC1 SY023987 [0,0,0,1,0,0|2,0,1]=4 80 B8R1.3 CC1C=CC(=O)CC1 SY100224 [0,0,0,1,0,0|1,0,2]=4 81 B8R1.3 CC1CNC(=O)CO1 SY032981 [0,0,0,1,0,0|2,0,1]=4 82 B8R1.3 O=C1CCC(=O)CC1 SY002914 [0,0,0,1,0,0|2,0,1]=4 83 B8R1.23 C=C1CC(C(=O)O)C1 SY039273 [0,0,0,1,0,0|0,0,2]=3 84 B8R1.23 CC1CC(C(=O)O)C1 SY042063 [0,0,0,1,0,0|0,0,2]=3 85 B8R1.23 CN1CC(C(=O)Cl)C1 SY247770 [0,0,0,1,0,0|2,0,1]=4 86 B8R1.23 CN1CC(C(=O)O)C1 SY097022 [0,0,0,1,0,0|1,0,1]=3 87 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 SY026883 [0,0,0,1,0,0|1,0,2]=4 88 B8R1.23 N[C@H]1C[C@H](C(=O)O)C1 SY026884 [0,0,0,1,0,0|1,0,2]=4 89 B8R1.23 O=C(O)C1CC(Cl)C1 SY024876 [0,0,0,1,0,0|1,0,2]=4 90 B8R1.23 O=C(O)C1CC(O)C1 SY098700 [0,0,0,1,0,0|1,0,2]=4 91 B8R1.23 O=C(O)[C@H]1C[C@@H](O)C1 SY042433 [0,0,0,1,0,0|1,0,2]=4 92 B8R1.23 O=C(O)[C@H]1C[C@H](O)C1 SY042435 [0,0,0,1,0,0|1,0,2]=4 93 B8R1.23 O=C1CC(C(=O)O)C1 SY008366 [0,0,0,1,0,0|1,0,1]=3 94 B8R1.35 O=C(O)C=CC1CC1 SY263204 [0,0,0,1,0,0|0,0,2]=3 95 B8R1.35 O=C(O)CCC1CC1 SY042777 [0,0,0,1,0,0|0,0,2]=3 96 B8R1.51 CC1(C)CCC(=O)C1 SY043145 [0,0,0,1,0,0|1,0,2]=4 97 B8R1.51 CC1(C)CCC(=O)N1 SY023743 [0,0,0,1,0,0|1,0,2]=4 98 B8R1.77 CC1(C)CC1C(N)=O SY284377 [0,0,0,1,0,0|1,0,2]=4 99 B8R1.77 CC1(C)C[C@@H]1C(=O)O SY108102 [0,0,0,1,0,0|0,0,2]=3 100 B8R1.77 CC1(C)C[C@@H]1C(N)=O SY042583 [0,0,0,1,0,0|1,0,2]=4 101 B8R1.77 CC1(C)OC1C(=O)O SY224321 [0,0,0,1,0,0|1,0,1]=3 102 B6R0.2 CC(=O)C[N+](=O)[O-] SY285532 [0,0,0,0,1,0|2,0,1]=4 103 B6R0.2 CC(=O)NC(C)C SY107538 [0,0,0,0,1,0|2,0,1]=4 104 B6R0.2 CC(=O)\C=C(\C)[O-] SY008855 [0,0,0,0,1,0|2,0,0]=3 105 B6R0.2 CC(=O)\C=C(\C)[O-] SY010105 [0,0,0,0,1,0|2,0,0]=3 106 B6R0.2 CC(=O)\C=C(\C)[O-] SY010217 [0,0,0,0,1,0|2,0,0]=3 107 B6R0.2 CC(=O)\C=C(\C)[O-] SY010282 [0,0,0,0,1,0|2,0,0]=3 108 B6R0.2 CC(=O)\C=C(\C)[O-] SY011804 [0,0,0,0,1,0|2,0,0]=3 109 B6R0.2 CC(=O)\C=C(\C)[O-] SY072898 [0,0,0,0,1,0|2,0,0]=3 110 B6R0.2 CC(=O)\C=C(\C)[O-] SY107884 [0,0,0,0,1,0|2,0,0]=3 111 B6R0.2 CC(C)=CB(O)O SY064246 [0,0,0,0,1,0|1,0,1]=3 112 B6R0.2 CC(C)CB(O)O SY002441 [0,0,0,0,1,0|1,0,2]=4 113 B6R0.2 CC(Cl)CC(=O)Cl SY222037 [0,0,0,0,1,0|2,0,1]=4 114 B6R0.2 CC(N)CC(=O)O SY022577 [0,0,0,0,1,0|1,0,1]=3 115 B6R0.2 CN(C)CC(=O)O SY001194 [0,0,0,0,1,0|1,0,0]=2 116 B6R0.2 CN(C)CC(=O)O SY005006 [0,0,0,0,1,0|1,0,0]=2 117 B6R0.2 C[C@@H](N)CC(=O)O SY019803 [0,0,0,0,1,0|1,0,1]=3 118 B6R0.2 C[C@@H](N)CC(=O)O SY025783 [0,0,0,0,1,0|1,0,1]=3 119 B6R0.2 C[C@@H](O)CC(=O)[O-] SY107283 [0,0,0,0,1,0|1,0,2]=4 120 B6R0.2 C[C@H](N)CC(=O)O SY022578 [0,0,0,0,1,0|1,0,1]=3 121 B6R0.2 C[C@H](N)CC(=O)O SY025782 [0,0,0,0,1,0|1,0,1]=3 122 B6R0.2 N=C(N)CC(N)=O SY109396 [0,0,0,0,1,0|3,0,0]=4 123 B6R0.2 NC(=O)CC(N)=O SY018470 [0,0,0,0,1,0|3,0,0]=4 124 B6R0.2 O=C(O)CC(=O)O SY001875 [0,0,0,0,1,0|2,0,0]=3 125 B8R0.28 CC(=O)CCCC(=O)O SY015106 [0,0,0,0,0,1|1,0,1]=3 126 B8R0.28 CC(=O)CCCC(C)=O SY253771 [0,0,0,0,0,1|2,0,1]=4 127 B8R0.28 CC(=O)CCCN(C)C SY147772 [0,0,0,0,0,1|2,0,1]=4 128 B8R0.28 CC(=O)NCCC(=O)O SY025089 [0,0,0,0,0,1|1,0,1]=3 129 B8R0.28 CC(C)CCOC(=O)Cl SY032117 [0,0,0,0,0,1|1,0,2]=4 130 B8R0.28 CN(C)CCCC(=O)O SY058453 [0,0,0,0,0,1|1,0,1]=3 131 B8R0.28 CN(C)C\C=C\C(=O)O SY030493 [0,0,0,0,0,1|1,0,1]=3 132 B8R0.28 N=C(N)NCCC(=O)O SY066704 [0,0,0,0,0,1|2,0,1]=4 133 B8R0.28 O=C(O)CCCC(=O)O SY029948 [0,0,0,0,0,1|2,0,1]=4 134 B5R0.1 C#CCC(=O)O SY040154 [2,0,0,0,0,0|0,0,2]=4 135 B5R0.1 C=CNC(N)=O SY159600 [2,0,0,0,0,0|2,0,0]=4 136 B5R0.1 CC(=O)CCO SY002849 [2,0,0,0,0,0|1,0,1]=4 137 B5R0.1 CC(=O)NCO SY047960 [2,0,0,0,0,0|2,0,0]=4 138 B5R0.1 CC(=O)\C=N/O SY112549 [2,0,0,0,0,0|2,0,0]=4 139 B5R0.1 CC(I)=CCI SY237855 [2,0,0,0,0,0|2,0,0]=4 140 B5R0.1 CN(C)CC=O SY114927 [2,0,0,0,0,0|1,0,0]=3 141 B5R0.1 CNCC(=O)O SY001630 [2,0,0,0,0,0|1,0,0]=3 142 B5R0.1 CNCC(N)=O SY059741 [2,0,0,0,0,0|2,0,0]=4 143 B5R0.1 CSCC(N)=O SY040648 [2,0,0,0,0,0|2,0,0]=4 144 B5R0.1 C\C(I)=C/CI SY237856 [2,0,0,0,0,0|2,0,0]=4 145 B5R0.1 C\C(I)=C\CI SY237854 [2,0,0,0,0,0|2,0,0]=4 146 B5R0.1 C\C(I)=C\CO SY246995 [2,0,0,0,0,0|1,0,0]=3 147 B5R0.1 C\C(I)=C\CO SY252919 [2,0,0,0,0,0|1,0,0]=3 148 B5R0.1 C\C=C\B(O)O SY027001 [2,0,0,0,0,0|1,0,1]=4 149 B5R0.1 O=C(O)CCF SY008508 [2,0,0,0,0,0|1,0,1]=4 150 B5R0.1 O=C(O)CCO SY003982 [2,0,0,0,0,0|1,0,1]=4 151 B5R0.1 O=C(O)\C=C\Br SY026854 [2,0,0,0,0,0|1,0,0]=3 152 B7R0.2 CN(C)\C=C(/Br)C=O SY246618 [1,1,0,0,0,0|1,0,1]=4 153 B7R0.2 CN(C=O)CC(=O)O SY224496 [1,1,0,0,0,0|2,0,0]=4 154 B7R0.2 COC(=O)CC(=O)O SY046546 [1,1,0,0,0,0|1,0,0]=3 155 B7R0.2 COC(=O)CC(=O)[O-] SY031346 [1,1,0,0,0,0|1,0,1]=4 156 B7R0.2 COC(=O)CC(N)=O SY031703 [1,1,0,0,0,0|2,0,0]=4 157 B7R0.3 CNCCC(=O)OC SY019690 [1,1,0,0,0,0|1,0,1]=4 158 B7R0.3 COC=CC(=O)OC SY012690 [1,1,0,0,0,0|1,0,1]=4 159 B7R0.4 C=CCCCC(=O)O SY050075 [1,1,0,0,0,0|0,0,2]=4 160 B7R0.4 CC(C)CC=CC=O SY298528 [1,1,0,0,0,0|0,0,2]=4 161 B7R0.4 CCCOCC(=O)O SY025048 [1,1,0,0,0,0|0,0,2]=4 162 B7R0.4 CCOC=CC(=O)O SY030136 [1,1,0,0,0,0|0,0,2]=4 163 B7R0.4 CNCCCC(=O)O SY032531 [1,1,0,0,0,0|0,0,2]=4 164 B7R0.4 COCCCC(=O)O SY045907 [1,1,0,0,0,0|0,0,2]=4 165 B7R0.4 NCCCCC(=O)O SY002964 [1,1,0,0,0,0|0,0,2]=4 166 B7R0.4 O=C(O)CCCCCl SY051600 [1,1,0,0,0,0|0,0,2]=4 167 B7R0.4 O=C(O)CCCCS SY141369 [1,1,0,0,0,0|0,0,2]=4 168 B7R0.4 O=C(O)COCCCl SY030518 [1,1,0,0,0,0|1,0,1]=4 169 B7R0.5 C=CCC(C)C(=O)O SY048335 [1,1,0,0,0,0|0,0,2]=4 170 B7R0.5 C=CCC(N)C(=O)O SY052428 [1,1,0,0,0,0|0,0,2]=4 171 B7R0.5 C=CC[C@@H](N)C(=O)O SY064478 [1,1,0,0,0,0|0,0,2]=4 172 B7R0.5 C=CC[C@H](N)C(=O)O SY008709 [1,1,0,0,0,0|0,0,2]=4 173 B7R0.5 CC=CC(C)C(=O)O SY254091 [1,1,0,0,0,0|0,0,0]=2 174 B7R0.5 CCCC(N)C(=O)O SY035722 [1,1,0,0,0,0|0,0,2]=4 175 B7R0.5 CCC[C@@H](N)C(=O)O SY019949 [1,1,0,0,0,0|0,0,2]=4 176 B7R0.5 CCC[C@H](N)C(=O)O SY001938 [1,1,0,0,0,0|0,0,2]=4 177 B7R0.5 CCOC(C)C(=O)O SY040144 [1,1,0,0,0,0|1,0,1]=4 178 B7R0.5 CNC[C@H](N)C(=O)O SY013432 [1,1,0,0,0,0|1,0,1]=4 179 B7R0.5 COCC(N)C(=O)O SY034134 [1,1,0,0,0,0|1,0,1]=4 180 B7R0.5 COC[C@@H](N)C(=O)O SY023999 [1,1,0,0,0,0|1,0,1]=4 181 B7R0.5 COC[C@H](N)C(=O)O SY114490 [1,1,0,0,0,0|1,0,1]=4 182 B7R0.9 CC(=O)CC(C)(C)N SY009235 [0,1,0,0,1,0|1,0,1]=4 183 B7R0.9 CC(C)(N)CC(=O)O SY013584 [0,1,0,0,1,0|0,0,1]=3 184 B7R0.9 CC(C)(N)CC(=O)O SY013645 [0,1,0,0,1,0|0,0,1]=3 185 B7R0.9 CC(C)(O)CC(=O)O SY032937 [0,1,0,0,1,0|0,0,1]=3 186 B7R0.9 CS(=O)(=O)CC(=O)O SY003200 [0,1,0,0,1,0|2,0,0]=4 187 B7R0.16 C=C(C(=O)O)C(=O)O SY285531 [0,1,0,0,1,0|2,0,0]=4 188 B7R0.16 CC(=O)C(C)C(C)=O SY048147 [0,1,0,0,1,0|2,0,0]=4 189 B7R0.16 CC(C(=O)O)C(=O)O SY006109 [0,1,0,0,1,0|2,0,0]=4 190 B7R0.16 CC(C)C(=O)C(=O)O SY005235 [0,1,0,0,1,0|0,0,1]=3 191 B7R0.16 CC(C)C(N)C(N)=O SY047906 [0,1,0,0,1,0|1,0,1]=4 192 B7R0.16 CC(C)[C@@H](Br)C(=O)O SY033749 [0,1,0,0,1,0|0,0,1]=3 193 B7R0.16 CC(C)[C@@H](N)C(=O)O SY002593 [0,1,0,0,1,0|0,0,1]=3 194 B7R0.16 CC(C)[C@@H](N)C(N)=O SY024218 [0,1,0,0,1,0|1,0,1]=4 195 B7R0.16 CC(C)[C@@H](O)C(=O)O SY041974 [0,1,0,0,1,0|0,0,1]=3 196 B7R0.16 CC(C)[C@H](N)C(=O)O SY002589 [0,1,0,0,1,0|0,0,1]=3 197 B7R0.16 CC(C)[C@H](N)C(N)=O SY024217 [0,1,0,0,1,0|1,0,1]=4 198 B7R0.16 CN(C)C(=O)C(=O)O SY050473 [0,1,0,0,1,0|1,0,0]=3 199 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O SY026984 [0,1,0,0,1,0|1,0,1]=4 200 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O SY020053 [0,1,0,0,1,0|1,0,1]=4 201 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O SY018620 [0,1,0,0,1,0|1,0,1]=4 202 B7R0.16 C[C@H](O)[C@H](N)C(=O)O SY024226 [0,1,0,0,1,0|1,0,1]=4 203 B7R0.16 O=C(O)C(F)C(=O)O SY157510 [0,1,0,0,1,0|2,0,0]=4 204 B9R0.1 COC(=O)CCCC(=O)O SY029949 [0,1,0,0,0,1|1,0,1]=4 205 B9R0.1 COC(=O)CCCC(C)=O SY113736 [0,1,0,0,0,1|1,0,1]=4 206 B9R0.7 CC(Cl)C(=O)NCC(=O)O SY129805 [0,1,0,0,0,1|1,0,1]=4 207 B9R0.7 C[C@H](S)C(=O)NCC(=O)O SY262996 [0,1,0,0,0,1|1,0,1]=4 208 B9R0.7 C[S+](C)CC[C@@H](N)C(=O)O SY268968 [0,1,0,0,0,1|1,0,1]=4 209 B9R0.7 C[S+](C)CC[C@@H](N)C(=O)O SY268975 [0,1,0,0,0,1|1,0,1]=4 210 B9R0.53 CC(C)C[C@H](N)CC(=O)O SY065306 [0,1,0,0,0,1|0,0,2]=4 211 B9R0.53 CC(C)C[C@H](N)CC(=O)O SY254213 [0,1,0,0,0,1|0,0,2]=4 212 B9R0.23 CC[C@H](C)[C@H](N)CC(=O)O SY074228 [0,2,0,0,0,0|0,0,2]=4 213 B9R0.23 COC(=O)C(=O)CC(C)=O SY078759 [0,2,0,0,0,0|2,0,0]=4 214 B9R0.23 COC(=O)C(Br)CN(C)C SY290799 [0,2,0,0,0,0|1,0,1]=4 215 B9R0.23 COC(=O)[C@@H](C)CC(=O)O SY254300 [0,2,0,0,0,0|1,0,1]=4 216 B9R0.23 COC(=O)[C@@H](N)CC(=O)O SY026157 [0,2,0,0,0,0|1,0,1]=4 217 B9R0.23 COC(=O)[C@@H](N)CC(C)C SY013150 [0,2,0,0,0,0|0,0,2]=4 218 B9R0.23 COC(=O)[C@H](N)CC(=O)O SY076701 [0,2,0,0,0,0|1,0,1]=4 219 B9R0.23 COC(=O)[C@H](N)CC(C)C SY037977 [0,2,0,0,0,0|0,0,2]=4 220 B9R0.24 CCC(=O)CCC(=O)OC SY270772 [0,2,0,0,0,0|1,0,1]=4 221 B9R0.24 COC(=O)CCC(=O)CBr SY034031 [0,2,0,0,0,0|1,0,1]=4 222 B9R0.24 COC(=O)CCC(=O)CN SY023721 [0,2,0,0,0,0|1,0,1]=4 223 B9R0.24 COC(=O)CNC(=O)CN SY102049 [0,2,0,0,0,0|2,0,0]=4 224 B9R0.24 COC(=O)CNC(=O)OC SY238214 [0,2,0,0,0,0|2,0,0]=4 225 B9R0.42 COC(=O)CC(=O)C(C)Br SY009590 [0,2,0,0,0,0|1,0,1]=4 226 B9R0.42 COC(=O)CC(=O)C(C)C SY001966 [0,2,0,0,0,0|0,0,1]=3 227 B9R0.42 COC(=O)CC(N)C(=O)O SY113561 [0,2,0,0,0,0|1,0,1]=4 228 B9R0.42 COC(=O)C[C@@H](C)C(=O)O SY110577 [0,2,0,0,0,0|1,0,1]=4 229 B9R0.42 COC(=O)C[C@@H](N)C(=O)O SY102003 [0,2,0,0,0,0|1,0,1]=4 230 B9R0.42 COC(=O)C[C@H](N)C(=O)O SY030362 [0,2,0,0,0,0|1,0,1]=4 231 B9R0.42 NCC(=O)CC(N)C(=O)O SY273545 [0,2,0,0,0,0|1,0,1]=4 232 B9R0.48 CCOC(=O)C=CN(C)C SY003407 [0,2,0,0,0,0|1,0,1]=4 233 B9R0.48 CCOC(=O)CCC(=O)O SY058510 [0,2,0,0,0,0|1,0,1]=4 234 B9R0.48 CCOC(=O)\C=C\C(=O)O SY001478 [0,2,0,0,0,0|1,0,1]=4 235 B9R0.48 CCOC(=O)\C=C\C(C)=O SY292684 [0,2,0,0,0,0|1,0,1]=4 236 B9R0.48 CCOC(=O)\C=C\N(C)C SY037145 [0,2,0,0,0,0|1,0,1]=4 237 B9R0.11 CC(C)CC(C)(O)C(=O)O SY022388 [0,2,0,0,0,0|0,0,2]=4 238 B9R0.39 CC(=O)N[C@@H](CS)C(=O)O SY009511 [0,2,0,0,0,0|2,0,0]=4 239 B9R0.39 CC(C)C[C@@H](CN)C(=O)O SY123912 [0,2,0,0,0,0|0,0,2]=4 240 B9R0.39 CC(C)C[C@@H](CN)C(=O)O SY127501 [0,2,0,0,0,0|0,0,2]=4 241 B9R0.39 CC(C)C[C@H](CN)C(=O)O SY108588 [0,2,0,0,0,0|0,0,2]=4 242 B9R0.39 CC(C)C[C@H](CN)C(=O)O SY254088 [0,2,0,0,0,0|0,0,2]=4 243 B9R0.39 CNC(CC(C)C)C(=O)O SY022445 [0,2,0,0,0,0|0,0,2]=4 244 B9R0.57 CC(C)(C)C[C@H](N)C(=O)O SY035333 [0,2,0,0,0,0|0,0,2]=4 245 B9R0.57 CC(C)(F)C[C@H](N)C(=O)O SY119940 [0,2,0,0,0,0|0,0,2]=4 246 B9R0.79 CC(C)[C@@H](O)[C@H](N)C(=O)O SY104814 [0,2,0,0,0,0|0,0,2]=4 247 B9R0.79 CC(C)[C@H](O)[C@@H](N)C(=O)O SY254571 [0,2,0,0,0,0|0,0,2]=4 248 B7R1.2 CC1=CN=C(C)O1 SY040818 [1,0,0,1,0,0|2,0,0]=4 249 B7R1.2 CC1=CN=C(I)O1 SY294256 [1,0,0,1,0,0|2,0,0]=4 250 B7R1.2 CC1=NNC(=O)C1 SY010796 [1,0,0,1,0,0|2,0,0]=4 251 B7R1.2 CC1=NNC(=O)O1 SY017602 [1,0,0,1,0,0|2,0,0]=4 252 B7R1.2 CC1CCC(=O)C1 SY003033 [1,0,0,1,0,0|0,0,2]=4 253 B7R1.2 CC1CCC(=O)O1 SY011304 [1,0,0,1,0,0|0,0,2]=4 254 B7R1.2 O=C1CCC(=O)C1 SY003377 [1,0,0,1,0,0|1,0,1]=4 255 B7R1.2 O=C1COC(=O)C1 SY048546 [1,0,0,1,0,0|2,0,0]=4 256 B7R1.3 CC1=CC=CCC1 SY292105 [1,0,0,1,0,0|1,0,1]=4 257 B7R1.3 O=C1CC=CCN1 SY270920 [1,0,0,1,0,0|1,0,0]=3 258 B7R1.3 O=C1CCCCO1 SY018264 [1,0,0,1,0,0|0,0,2]=4 259 B7R1.3 O=C1CNCCO1 SY047308 [1,0,0,1,0,0|1,0,1]=4 260 B7R1.3 O=C1COCCO1 SY055447 [1,0,0,1,0,0|1,0,1]=4 261 B7R1.3 OC1CC=CCC1 SY264800 [1,0,0,1,0,0|1,0,1]=4 262 B7R1.7 O=C\C=C\C1CC1 SY298530 [1,0,0,1,0,0|0,0,2]=4 263 B7R1.12 CC1=CC1C(=O)O SY273475 [1,0,0,1,0,0|0,0,0]=2 264 B7R1.18 O=C(O)C1CCN1 SY013679 [1,0,0,1,0,0|1,0,1]=4 265 B7R1.18 O=C(O)C1CCO1 SY033341 [1,0,0,1,0,0|1,0,1]=4 266 B7R1.18 O=C(O)C1CNC1 SY002050 [1,0,0,1,0,0|1,0,1]=4 267 B7R1.18 O=C(O)C1COC1 SY008837 [1,0,0,1,0,0|1,0,1]=4 268 B7R1.18 O=C(O)[C@@H]1CCN1 SY004809 [1,0,0,1,0,0|1,0,1]=4 269 B7R1.18 O=C(O)[C@@H]1CCO1 SY269134 [1,0,0,1,0,0|1,0,1]=4 270 B7R1.18 O=C(O)[C@H]1CCN1 SY077312 [1,0,0,1,0,0|1,0,1]=4 271 B9R1.35 CC1=CC(C(=O)O)=CS1 SY014238 [0,0,0,1,0,1|0,0,2]=4 272 B9R1.35 CC1=CC=C(C(=O)O)O1 SY033736 [0,0,0,1,0,1|1,0,1]=4 273 B9R1.35 CC1=CC=C(C(=O)O)S1 SY001770 [0,0,0,1,0,1|1,0,1]=4 274 B9R1.35 CC1=CN=C(C(=O)O)S1 SY023408 [0,0,0,1,0,1|1,0,1]=4 275 B9R1.35 CC1=COC(C(=O)O)=N1 SY273851 [0,0,0,1,0,1|1,0,1]=4 276 B9R1.35 CC1=CSC(C(=O)O)=C1 SY012042 [0,0,0,1,0,1|0,0,2]=4 277 B9R1.35 CC1=CSC(C(=O)O)=N1 SY015483 [0,0,0,1,0,1|1,0,1]=4 278 B9R1.35 CC1=NC(C(=O)O)=CN1 SY015260 [0,0,0,1,0,1|1,0,1]=4 279 B9R1.35 CC1=NC(C(=O)O)=CO1 SY015418 [0,0,0,1,0,1|1,0,1]=4 280 B9R1.35 CC1=NC(C(=O)O)=CS1 SY005875 [0,0,0,1,0,1|1,0,1]=4 281 B9R1.35 CC1=NC=C(C(=O)O)O1 SY034537 [0,0,0,1,0,1|1,0,1]=4 282 B9R1.35 CC1=NC=C(C(=O)O)S1 SY019257 [0,0,0,1,0,1|1,0,1]=4 283 B9R1.35 CN1CCC(C(=O)O)C1 SY019266 [0,0,0,1,0,1|1,0,1]=4 284 B9R1.35 CN1CCC(C(=O)O)C1 SY020059 [0,0,0,1,0,1|1,0,1]=4 285 B9R1.35 C[C@@H]1CN[C@H](C(=O)O)C1 SY258090 [0,0,0,1,0,1|0,0,2]=4 286 B9R1.35 N[C@@H]1C=C[C@@H](C(=O)O)C1 SY266096 [0,0,0,1,0,1|1,0,1]=4 287 B9R1.35 O=C1CC(C(=O)O)CN1 SY041979 [0,0,0,1,0,1|1,0,1]=4 288 B9R1.35 O=C1CCC(C(=O)O)C1 SY007001 [0,0,0,1,0,1|1,0,1]=4 289 B9R1.35 O=C1CC[C@H](C(=O)O)C1 SY059752 [0,0,0,1,0,1|1,0,1]=4 290 B9R1.85 O=C(O)CCNC1CC1 SY034664 [0,0,0,1,0,1|0,0,2]=4 291 B9R1.10 CC1(C)OCC(=O)CO1 SY023891 [0,1,0,1,0,0|1,0,1]=4 292 B9R1.69 CC1CCC(=O)CC1=O SY271609 [0,1,0,1,0,0|1,0,1]=4 293 B9R1.69 CN1CCC(=O)CC1=O SY026428 [0,1,0,1,0,0|2,0,0]=4 294 B9R1.82 C=C1CC(C(=O)OC)C1 SY102626 [0,1,0,1,0,0|0,0,2]=4 295 B9R1.82 COC(=O)C1CC(=O)C1 SY012186 [0,1,0,1,0,0|1,0,1]=4 296 B9R1.84 O=C(O)CCC1CCC1 SY132058 [0,1,0,1,0,0|0,0,2]=4 297 B9R1.95 COC1CC(C(=O)O)C1 SY099991 [0,1,0,1,0,0|0,0,2]=4 298 B9R1.95 O=C(O)C1CC(CO)C1 SY045202 [0,1,0,1,0,0|0,0,2]=4 299 B9R1.38 CC1(C)OC(=O)NC1=O SY048286 [0,1,0,1,0,0|1,0,1]=4 300 B9R1.112 CC(SC1CC1)C(=O)O SY254090 [0,1,0,1,0,0|1,0,1]=4 301 B9R1.112 N[C@@H](CC1CC1)C(=O)O SY035270 [0,1,0,1,0,0|0,0,2]=4 302 B9R1.112 N[C@H](CC1CC1)C(=O)O SY021328 [0,1,0,1,0,0|0,0,2]=4 303 B9R1.137 NC(CC(=O)O)C1CC1 SY015526 [0,1,0,1,0,0|0,0,2]=4 304 B9R1.164 CC1(C)CC(C(=O)O)C1 SY042064 [0,1,0,1,0,0|0,0,2]=4 305 B9R2.145 O=C(O)C12CC(C1)C2 SY042507 [0,0,0,2,0,0|0,0,2]=4 306 B9R2.143 O=C(O)C1CC12CC2 SY192623 [0,0,0,2,0,0|0,0,2]=4 307 B9R2.143 O=C(O)[C@@H]1CC12CC2 SY288296 [0,0,0,2,0,0|0,0,2]=4 308 B9R2.143 O=C(O)[C@H]1CC12CC2 SY292257 [0,0,0,2,0,0|0,0,2]=4 309 B5R0.5 C=C(C)C(N)=O SY010261 [0,0,0,0,2,0|1,0,1]=4 310 B5R0.5 C=C(F)C(=O)O SY021247 [0,0,0,0,2,0|1,0,1]=4 311 B5R0.5 CC(C)C(N)=O SY015332 [0,0,0,0,2,0|1,0,1]=4 312 B5R0.5 CC(N)C(=O)O SY005245 [0,0,0,0,2,0|1,0,1]=4 313 B5R0.5 C[C@@H](Br)C(=O)O SY102226 [0,0,0,0,2,0|1,0,1]=4 314 B5R0.5 C[C@@H](N)C(=O)O SY002277 [0,0,0,0,2,0|1,0,1]=4 315 B5R0.5 C[C@H](Cl)C(=O)O SY018972 [0,0,0,0,2,0|1,0,1]=4 316 B9R0.55 CC(C)=CCCCC(=O)O SY253607 [0,0,0,0,0,2|0,0,0]=2 317 B9R0.55 CN(C)CCCCC(=O)O SY018643 [0,0,0,0,0,2|1,0,1]=4 318 B9R0.55 CN(C)CCCCC(=O)O SY019232 [0,0,0,0,0,2|1,0,1]=4