0 B6R0.4 C=CCCC(=N)N P16910 [0,0,0,0,0,0|3,0,1]=4 1 B6R0.4 CCCCB(O)O B0514 [0,0,0,0,0,0|2,0,1]=3 2 B6R0.4 CN(C)CCCN D2364 [0,0,0,0,0,0|3,0,0]=3 3 B6R0.4 COCCC(=N)N M13848 [0,0,0,0,0,0|4,0,0]=4 4 B6R0.4 N=C(N)NCCS M17502 [0,0,0,0,0,0|4,0,0]=4 5 B6R0.4 NCCCC(=O)O A19243 [0,0,0,0,0,0|0,0,0]=0 6 B6R0.4 O=C(Cl)CCCCl C18875 [0,0,0,0,0,0|2,0,0]=2 7 B6R0.4 O=C([O-])CNCO S17161 [0,0,0,0,0,0|2,0,1]=3 8 B5R0.1 CCCC(=O)O B18853 [1,0,0,0,0,0|0,0,0]=1 9 B5R0.1 CCC[C@H](C)O P4807 [1,0,0,0,0,0|1,0,1]=3 10 B5R0.1 CNCC(=O)O S18803 [1,0,0,0,0,0|1,0,0]=2 11 B5R0.1 COCC(=N)N M13846 [1,0,0,0,0,0|3,0,0]=4 12 B5R0.1 COC[C@@H](C)O M5850 [1,0,0,0,0,0|2,0,1]=4 13 B5R0.1 COC[C@H](C)O M5856 [1,0,0,0,0,0|2,0,1]=4 14 B5R0.1 CSCC(=N)N M13847 [1,0,0,0,0,0|3,0,0]=4 15 B5R0.1 N#CCC(N)=O C0404 [1,0,0,0,0,0|1,0,2]=4 16 B5R0.2 CNCCCN M14932 [1,0,0,0,0,0|2,0,0]=3 17 B5R0.2 N#CCCNN C12725 [1,0,0,0,0,0|2,0,1]=4 18 B5R0.2 NCCCCO A18122 [1,0,0,0,0,0|0,0,1]=2 19 B5R0.2 OCCCCBr B18469 [1,0,0,0,0,0|1,0,1]=3 20 B7R0.2 CCC(N)CC(=O)O A14449 [0,1,0,0,0,0|1,0,0]=2 21 B7R0.2 CCC(N)CC(=O)O A18198 [0,1,0,0,0,0|1,0,0]=2 22 B7R0.2 CC[C@@H](N)CC(=O)O A18229 [0,1,0,0,0,0|1,0,0]=2 23 B7R0.2 CC[C@H](C)CC(=O)O M13871 [0,1,0,0,0,0|1,0,0]=2 24 B7R0.2 NC[C@@H](O)CC(=O)O A2622 [0,1,0,0,0,0|0,0,0]=1 25 B7R0.2 N[C@H](CO)CC(=O)O A12916 [0,1,0,0,0,0|1,0,0]=2 26 B7R0.2 [NH3+][C@@H](CO)CC(=O)O H13159 [0,1,0,0,0,0|1,0,0]=2 27 B7R0.2 [NH3+][C@@H](CO)CC(=O)O H13159 [0,1,0,0,0,0|1,0,0]=2 28 B7R0.3 CCCCC(O)CN A13447 [0,1,0,0,0,0|2,0,1]=4 29 B7R0.3 CCCC\C(N)=N/O H14021 [0,1,0,0,0,0|2,0,0]=3 30 B7R0.3 COC(=O)\C=C\CBr M1565 [0,1,0,0,0,0|1,0,2]=4 31 B7R0.3 COCC\C(N)=N/O H13784 [0,1,0,0,0,0|3,0,0]=4 32 B7R0.3 N\C(CCCBr)=N\O B13671 [0,1,0,0,0,0|2,0,0]=3 33 B7R0.4 C=CCNCC(=O)O A18405 [0,1,0,0,0,0|1,0,1]=3 34 B7R0.4 CC(=O)CCCCCl C18888 [0,1,0,0,0,0|2,0,0]=3 35 B7R0.4 CCCCCC(=N)N H14019 [0,1,0,0,0,0|3,0,0]=4 36 B7R0.4 CCOCCC(=N)N E14098 [0,1,0,0,0,0|3,0,0]=4 37 B7R0.4 N=C(N)CCCCCl C16515 [0,1,0,0,0,0|3,0,0]=4 38 B7R0.4 O=C(Cl)CCCCBr B9001 [0,1,0,0,0,0|2,0,0]=3 39 B7R0.5 C=CC[C@H](N)C(=O)O A15402 [0,1,0,0,0,0|1,0,1]=3 40 B7R0.5 CCCC(N)C(=O)O N4933 [0,1,0,0,0,0|1,0,0]=2 41 B7R0.5 CCC[C@@H](N)C(=O)O N11127 [0,1,0,0,0,0|1,0,0]=2 42 B7R0.5 CCC[C@H](N)C(=O)O N11126 [0,1,0,0,0,0|1,0,0]=2 43 B7R0.5 CCC[C@H](N)C(=O)O N11126 [0,1,0,0,0,0|1,0,0]=2 44 B7R0.5 NCCC(N)C(=O)O D14772 [0,1,0,0,0,0|0,0,0]=1 45 B7R0.5 NCCC(O)C(=O)O H6206 [0,1,0,0,0,0|0,0,0]=1 46 B7R0.5 NCCC(O)C(=O)O H6206 [0,1,0,0,0,0|0,0,0]=1 47 B7R0.5 NCC[C@H](O)C(=O)O A7207 [0,1,0,0,0,0|0,0,0]=1 48 B7R0.5 N[C@@H](CCO)C(=O)O H5147 [0,1,0,0,0,0|1,0,0]=2 49 B7R0.5 N[C@H](CCO)C(=O)O A6105 [0,1,0,0,0,0|1,0,0]=2 50 B7R0.5 N[C@H](CCO)C(=O)O A6105 [0,1,0,0,0,0|1,0,0]=2 51 B7R0.5 [NH3+]C(CCBr)C(=O)O A12763 [0,1,0,0,0,0|1,0,0]=2 52 B7R0.6 C(NC(C)=O)C(=O)O A1250 [0,1,0,0,0,0|2,0,1]=4 53 B7R0.6 C[C@H](O)CC[C@H](C)O H5146 [0,1,0,0,0,0|2,0,1]=4 54 B7R1.2 O=C1CCC(=O)C1 C13983 [0,0,0,1,0,0|2,0,1]=4 55 B7R1.2 O=C1CNC(=O)O1 O13300 [0,0,0,1,0,0|2,0,1]=4 56 B7R1.2 O=C1C[C@@H](O)CO1 H7194 [0,0,0,1,0,0|3,0,0]=4 57 B7R1.2 O=C1C[C@H](O)CN1 H2610 [0,0,0,1,0,0|3,0,0]=4 58 B7R1.2 O=C1C[C@H](O)CN1 H2610 [0,0,0,1,0,0|3,0,0]=4 59 B7R1.2 O=C1C[C@H](O)CO1 H2611 [0,0,0,1,0,0|3,0,0]=4 60 B7R1.2 OC1CCC(O)C1 C18885 [0,0,0,1,0,0|2,0,1]=4 61 B7R1.3 BrC1CCCNC1 B7611 [0,0,0,1,0,0|2,0,1]=4 62 B7R1.3 CC1CCCNC1 P3032 [0,0,0,1,0,0|2,0,1]=4 63 B7R1.3 NC1CCCNC1 A11018 [0,0,0,1,0,0|2,0,1]=4 64 B7R1.3 NC1CCCNC1 P19410 [0,0,0,1,0,0|2,0,1]=4 65 B7R1.3 NC1CCCNC1 P7273 [0,0,0,1,0,0|2,0,1]=4 66 B7R1.3 N[C@@H]1CCCNC1 A3658 [0,0,0,1,0,0|2,0,1]=4 67 B7R1.3 N[C@H]1CCCNC1 A11799 [0,0,0,1,0,0|2,0,1]=4 68 B7R1.3 O=C1C=CCCC1 C17765 [0,0,0,1,0,0|2,0,0]=3 69 B7R1.3 O=C1CCNCC1 P3649 [0,0,0,1,0,0|3,0,0]=4 70 B7R1.3 O=C1CCNCC1 P7276 [0,0,0,1,0,0|3,0,0]=4 71 B7R1.3 O=C1CCOCC1 T11055 [0,0,0,1,0,0|3,0,0]=4 72 B7R1.3 O=C1CNCCN1 P12440 [0,0,0,1,0,0|2,0,0]=3 73 B7R1.3 OC1CCCNC1 H6045 [0,0,0,1,0,0|1,0,1]=3 74 B7R1.3 OC1CCCNC1 P11038 [0,0,0,1,0,0|1,0,1]=3 75 B7R1.3 O[C@@H]1CCCNC1 R6046 [0,0,0,1,0,0|1,0,1]=3 76 B7R1.3 O[C@@H]1CCCNC1 R6046 [0,0,0,1,0,0|1,0,1]=3 77 B7R1.3 O[C@H]1CCCNC1 P3031 [0,0,0,1,0,0|1,0,1]=3 78 B7R1.18 N=C(N)C1CCC1 C13015 [0,0,0,1,0,0|3,0,0]=4 79 B7R1.18 O=C(O)C1CCN1 A19377 [0,0,0,1,0,0|0,0,0]=1 80 B7R1.18 O=C(O)C1CNC1 A18761 [0,0,0,1,0,0|2,0,0]=3 81 B7R1.18 O=C(O)C1CNC1 A3585 [0,0,0,1,0,0|2,0,0]=3 82 B7R1.18 O=C(O)C1CNC1 A3585 [0,0,0,1,0,0|2,0,0]=3 83 B7R1.18 O=C(O)[C@@H]1CCN1 A17680 [0,0,0,1,0,0|0,0,0]=1 84 B7R1.18 O=C(O)[C@@H]1CCN1 A5102 [0,0,0,1,0,0|0,0,0]=1 85 B7R1.18 O=C(O)[C@@H]1CCN1 A5102 [0,0,0,1,0,0|0,0,0]=1 86 B7R1.18 O=C(O)[C@H]1CCN1 A7252 [0,0,0,1,0,0|0,0,0]=1 87 B7R1.20 O=C(O)CC1CC1 C2235 [0,0,0,1,0,0|1,0,0]=2 88 B4R0.1 CCC(=N)N P12993 [2,0,0,0,0,0|2,0,0]=4 89 B4R0.1 CC[C@@H](C)O B4806 [2,0,0,0,0,0|1,0,1]=4 90 B4R0.1 CC[C@H](C)O B4805 [2,0,0,0,0,0|1,0,1]=4 91 B4R0.1 C[C@@H](O)CN A6198 [2,0,0,0,0,0|1,0,1]=4 92 B4R0.1 C[C@@H](O)CN A6198 [2,0,0,0,0,0|1,0,1]=4 93 B4R0.1 C[C@H](O)CN A5854 [2,0,0,0,0,0|1,0,1]=4 94 B4R0.1 N=C(N)CN A17678 [2,0,0,0,0,0|2,0,0]=4 95 B4R0.2 BrCCCBr D18864 [2,0,0,0,0,0|2,0,0]=4 96 B4R0.2 NCCCCl C18780 [2,0,0,0,0,0|1,0,0]=3 97 B4R0.2 NCCCO A18882 [2,0,0,0,0,0|0,0,0]=2 98 B4R0.2 NNCCO H13045 [2,0,0,0,0,0|1,0,0]=3 99 B6R0.1 C=CC(=O)CCC H17062 [1,1,0,0,0,0|1,0,0]=3 100 B6R0.1 C=CC(O)CCN A15818 [1,1,0,0,0,0|1,0,1]=4 101 B6R0.1 CCCC(N)CO A18883 [1,1,0,0,0,0|1,0,1]=4 102 B6R0.1 CCC\C(N)=N/O H14022 [1,1,0,0,0,0|1,0,0]=3 103 B6R0.1 CCOC(=O)CN A14488 [1,1,0,0,0,0|2,0,0]=4 104 B6R0.1 CCO\C(C)=N/O H17707 [1,1,0,0,0,0|2,0,0]=4 105 B6R0.1 CNCC(=O)OC M5408 [1,1,0,0,0,0|1,0,0]=3 106 B6R0.1 COC\C(N)=N/O H13783 [1,1,0,0,0,0|2,0,0]=4 107 B6R0.1 N\C(CCCl)=N/O C13124 [1,1,0,0,0,0|2,0,0]=4 108 B6R0.1 N\C(CCO)=N/O D13760 [1,1,0,0,0,0|2,0,0]=4 109 B6R0.1 [C-]#[N+]CC(=O)OC M14376 [1,1,0,0,0,0|1,0,1]=4 110 B6R0.2 C(C(=O)O)N(C)C D18801 [1,1,0,0,0,0|1,0,0]=3 111 B6R0.2 CC(C)=CC(=O)O D18784 [1,1,0,0,0,0|0,0,2]=4 112 B6R0.2 CC(C)CC(=N)N M13844 [1,1,0,0,0,0|2,0,0]=4 113 B6R0.3 CCC(C)C(=N)N M13845 [1,1,0,0,0,0|2,0,0]=4 114 B6R0.3 CCC(N)C(=O)O A2780 [1,1,0,0,0,0|0,0,0]=2 115 B6R0.3 CC[C@H](N)C(=O)O H17729 [1,1,0,0,0,0|0,0,0]=2 116 B6R0.3 CC[C@H](N)C(N)=O A3220 [1,1,0,0,0,0|1,0,0]=3 117 B6R0.3 CC[C@H](N)C(N)=O A3220 [1,1,0,0,0,0|1,0,0]=3 118 B6R0.3 NCC(N)C(=O)O D14331 [1,1,0,0,0,0|0,0,0]=2 119 B6R0.3 NCC(N)C(=O)O D14332 [1,1,0,0,0,0|0,0,0]=2 120 B6R0.3 NC[C@H](N)C(=O)O A18206 [1,1,0,0,0,0|0,0,0]=2 121 B6R0.3 NC[C@H](O)C(=O)O I4023 [1,1,0,0,0,0|0,0,0]=2 122 B6R0.3 N[C@@H](CS)C(=O)O C0937 [1,1,0,0,0,0|1,0,0]=3 123 B6R0.3 N[C@@H](CS)C(=O)O C0937 [1,1,0,0,0,0|1,0,0]=3 124 B6R0.3 N[C@@H](CS)C(=O)O C2088 [1,1,0,0,0,0|1,0,0]=3 125 B6R0.3 N[C@@H](CS)C(=O)O C2088 [1,1,0,0,0,0|1,0,0]=3 126 B6R0.3 N[C@H](CO)C(=O)O S5985 [1,1,0,0,0,0|1,0,0]=3 127 B6R0.3 N[C@H](CS)C(=O)O C6089 [1,1,0,0,0,0|1,0,0]=3 128 B6R0.5 NCCS(=O)(=O)O T13277 [1,1,0,0,0,0|1,0,0]=3 129 B8R0.2 CCC(C)C(=O)C(=O)O M13252 [0,2,0,0,0,0|1,0,1]=4 130 B8R0.2 CC[C@H](C)[C@@H](N)C(=O)O A6306 [0,2,0,0,0,0|1,0,0]=3 131 B8R0.2 CC[C@H](C)[C@H](O)C(=O)O H12777 [0,2,0,0,0,0|1,0,0]=3 132 B8R0.5 C=CC[C@H](N)CC(=O)O A15403 [0,2,0,0,0,0|1,0,0]=3 133 B8R0.5 CCCC(N)CC(=O)O A14453 [0,2,0,0,0,0|1,0,0]=3 134 B8R0.23 C=C(C)C(N)CC(=O)O A14655 [0,2,0,0,0,0|1,0,1]=4 135 B8R0.23 CC(=O)C(N)CC(=O)O A14659 [0,2,0,0,0,0|1,0,1]=4 136 B8R0.23 CC(C)C[C@@H](N)C(=O)O L2808 [0,2,0,0,0,0|1,0,0]=3 137 B8R0.23 CC(C)C[C@@H](O)C(=O)O H12699 [0,2,0,0,0,0|1,0,0]=3 138 B8R0.23 CC(C)C[C@H](N)C(=O)O L0932 [0,2,0,0,0,0|1,0,0]=3 139 B8R0.23 CC(C)C[C@H](N)C(=O)O L0932 [0,2,0,0,0,0|1,0,0]=3 140 B8R0.23 NC(=O)C[C@H](N)C(=O)O A6288 [0,2,0,0,0,0|0,0,1]=3 141 B8R0.23 N[C@H](CC(=O)O)C(=O)O A6088 [0,2,0,0,0,0|1,0,1]=4 142 B8R0.23 O=C(O)C[C@@H](O)C(=O)O M11009 [0,2,0,0,0,0|1,0,1]=4 143 B8R0.23 O=C(O)C[C@H](Br)C(=O)O B8880 [0,2,0,0,0,0|1,0,1]=4 144 B8R0.23 O=C(O)C[C@H](Br)C(=O)O B8880 [0,2,0,0,0,0|1,0,1]=4 145 B8R0.3 COC(=O)C(Br)CCBr M18995 [0,2,0,0,0,0|1,0,0]=3 146 B8R0.3 COC(=O)C(Br)CCBr M18995 [0,2,0,0,0,0|1,0,0]=3 147 B8R0.3 COC(=O)C(N)CCBr M13176 [0,2,0,0,0,0|1,0,0]=3 148 B8R0.3 COC(=O)[C@@H](N)CCBr M13187 [0,2,0,0,0,0|1,0,0]=3 149 B8R0.6 CCCCC\C(N)=N/O H14018 [0,2,0,0,0,0|2,0,0]=4 150 B8R0.8 CCCCC(C)C(=O)Cl M12954 [0,2,0,0,0,0|2,0,0]=4 151 B8R0.8 CSCC[C@@H](N)C(=O)O M6093 [0,2,0,0,0,0|1,0,0]=3 152 B8R0.8 NCCC[C@@H](N)C(=O)O O11124 [0,2,0,0,0,0|0,0,0]=2 153 B8R0.8 NCCC[C@H](N)C(=O)O O12400 [0,2,0,0,0,0|0,0,0]=2 154 B8R0.8 NCCC[C@H](N)C(=O)O O12400 [0,2,0,0,0,0|0,0,0]=2 155 B8R0.8 NCCC[C@H](N)C(=O)O O2148 [0,2,0,0,0,0|0,0,0]=2 156 B8R0.8 [C@@H](N)(CCSC)C(=O)O M1841 [0,2,0,0,0,0|1,0,0]=3 157 B8R0.9 NCC(=O)CCC(=O)O A4094 [0,2,0,0,0,0|0,0,0]=2 158 B8R0.9 NCC(=O)CCC(=O)O A4094 [0,2,0,0,0,0|0,0,0]=2 159 B8R0.9 NCC(=O)NCC(=O)O G0812 [0,2,0,0,0,0|0,0,1]=3 160 B8R0.25 NCCSP(=O)(O)O[Na] P14083 [0,2,0,0,0,0|2,0,0]=4 161 B8R0.7 CC(=O)OCCOCCl A15221 [0,2,0,0,0,0|2,0,0]=4 162 B8R0.28 C=C(Cl)CCCC(=O)O C15670 [0,2,0,0,0,0|1,0,0]=3 163 B8R0.28 O=C(O)CCCC(=O)O G18793 [0,2,0,0,0,0|1,0,0]=3 164 B8R0.12 CCC[C@@](C)(N)C(=O)O A15416 [0,2,0,0,0,0|1,0,0]=3 165 B8R0.29 CC(C)(C)[NH2+]CC(=O)O B13229 [0,2,0,0,0,0|2,0,0]=4 166 B8R0.29 CC(C)(N)CNC(N)=O A17904 [0,2,0,0,0,0|2,0,0]=4 167 B8R0.29 CC(C)(N)CNC(N)=O A17905 [0,2,0,0,0,0|2,0,0]=4 168 B6R1.2 O=C1C=CCC1 C18886 [1,0,0,1,0,0|1,0,1]=4 169 B6R1.2 O=C1CCSC1 T11319 [1,0,0,1,0,0|2,0,0]=4 170 B6R1.2 O=C1CC[NH2+]N1 P12961 [1,0,0,1,0,0|1,0,1]=4 171 B6R1.2 O=C1NCCO1 O11604 [1,0,0,1,0,0|1,0,0]=3 172 B6R1.2 O[C@@H]1CCNC1 P4795 [1,0,0,1,0,0|1,0,1]=4 173 B6R1.2 O[C@@H]1CCNC1 P4796 [1,0,0,1,0,0|1,0,1]=4 174 B6R1.2 O[C@H]1CCNC1 H6043 [1,0,0,1,0,0|1,0,1]=4 175 B6R1.2 O[C@H]1CCNC1 H6043 [1,0,0,1,0,0|1,0,1]=4 176 B6R1.2 O[C@H]1CCNC1 P6678 [1,0,0,1,0,0|1,0,1]=4 177 B6R1.11 CC(=O)C1CC1 C0960 [1,0,0,1,0,0|1,0,0]=3 178 B6R1.11 O=C(O)C1CC1 C1203 [1,0,0,1,0,0|0,0,0]=2 179 B6R1.4 CN1CCC1N A18235 [1,0,0,1,0,0|2,0,0]=4 180 B6R1.6 OC[C@@H]1CCN1 A19140 [1,0,0,1,0,0|0,0,1]=3 181 B8R1.1 O=C1C=C[C@H](CO)O1 H15822 [0,1,0,1,0,0|1,0,1]=4 182 B8R1.1 O=C1CC[C@@H](CBr)N1 B12676 [0,1,0,1,0,0|2,0,0]=4 183 B8R1.1 O=C1CC[C@@H](CO)N1 H12661 [0,1,0,1,0,0|2,0,0]=4 184 B8R1.1 O=C1CC[C@@H](CO)N1 H12661 [0,1,0,1,0,0|2,0,0]=4 185 B8R1.4 NC1=CC(=O)CCC1 A11848 [0,1,0,1,0,0|1,0,0]=3 186 B8R1.4 O=C1C=C(Cl)CCC1 C14310 [0,1,0,1,0,0|2,0,0]=4 187 B8R1.18 N[C@@H]1CC(=O)OC1=O A18191 [0,1,0,1,0,0|1,0,1]=4 188 B8R1.43 NCC1CC1C(=O)O A12911 [0,1,0,1,0,0|0,0,0]=2 189 B8R1.2 COC1CCCNC1 M14733 [0,1,0,1,0,0|1,0,1]=4 190 B8R1.2 OCC1CCCNC1 P11620 [0,1,0,1,0,0|1,0,1]=4 191 B8R1.3 NC1CCC(O)CC1 A0964 [0,1,0,1,0,0|1,0,1]=4 192 B8R1.3 N[C@H]1CC[C@H](O)CC1 A2772 [0,1,0,1,0,0|1,0,1]=4 193 B8R1.3 N[C@H]1CC[C@H](O)CC1 A2772 [0,1,0,1,0,0|1,0,1]=4 194 B8R1.3 O=C1CCC(O)CC1 H15821 [0,1,0,1,0,0|2,0,0]=4 195 B8R1.3 O=C1CC[C@H](O)CN1 H14910 [0,1,0,1,0,0|2,0,0]=4 196 B8R1.5 CC1NCCNC1=O M17109 [0,1,0,1,0,0|2,0,0]=4 197 B8R1.5 N[C@H]1CCCNC1=O A18130 [0,1,0,1,0,0|1,0,1]=4 198 B8R1.38 COC(=O)C1CCN1 M19139 [0,1,0,1,0,0|0,0,0]=2 199 B8R1.38 N\C(=N/O)C1CCC1 H13014 [0,1,0,1,0,0|2,0,0]=4 200 B8R1.50 O=C1CCC(=O)N1O H0382 [0,1,0,1,0,0|1,0,1]=4 201 B8R1.7 NC(=O)C1=NCCN1 D14788 [0,1,0,1,0,0|1,0,1]=4 202 B8R1.7 NC(=O)[C@@H]1CCCN1 P2995 [0,1,0,1,0,0|1,0,0]=3 203 B8R1.7 O=C(O)C1CC=CC1 C3045 [0,1,0,1,0,0|1,0,1]=4 204 B8R1.7 O=C(O)C1CCCN1 P6294 [0,1,0,1,0,0|0,0,0]=2 205 B8R1.7 O=C(O)C1CCNC1 P12835 [0,1,0,1,0,0|0,0,0]=2 206 B8R1.7 O=C(O)C1CCOC1 T15197 [0,1,0,1,0,0|1,0,0]=3 207 B8R1.7 O=C(O)[C@@H]1CCCO1 T3062 [0,1,0,1,0,0|1,0,0]=3 208 B8R1.7 O=C(O)[C@@H]1CSCN1 T17736 [0,1,0,1,0,0|0,0,0]=2 209 B8R1.7 O=C(O)[C@H]1CCCN1 P0396 [0,1,0,1,0,0|0,0,0]=2 210 B8R1.7 O=C(O)[C@H]1CCCN1 P0396 [0,1,0,1,0,0|0,0,0]=2 211 B8R1.7 O=C(O)[C@H]1CCCO1 T6625 [0,1,0,1,0,0|1,0,0]=3 212 B8R1.7 O=C(O)[C@H]1CCCO1 T6625 [0,1,0,1,0,0|1,0,0]=3 213 B8R1.23 O=C1CC(C(=O)O)C1 O11072 [0,1,0,1,0,0|1,0,1]=4 214 B8R1.54 N[C@H](C(=O)O)C1CC1 A12813 [0,1,0,1,0,0|1,0,0]=3 215 B8R1.78 NC1(C(=O)O)CCC1 A12906 [0,1,0,1,0,0|1,0,0]=3 216 B8R1.78 O=C(O)C1(O)CCC1 H17067 [0,1,0,1,0,0|1,0,0]=3 217 B8R1.77 CC1(C)CC1C(=O)O D2248 [0,1,0,1,0,0|1,0,0]=3 218 B8R1.77 CC1(C)C[C@@H]1C(=O)O T7829 [0,1,0,1,0,0|1,0,0]=3 219 B8R1.77 CC1(C)C[C@@H]1C(N)=O D2247 [0,1,0,1,0,0|2,0,0]=4