0 B7R0.9 CC(C)(C)CB(O)O N40449 [0,0,0,0,0,0|3,0,0]=3 1 B7R0.9 CC(C)(N)CC(=O)O A40410 [0,0,0,0,0,0|2,0,1]=3 2 B7R0.9 CC(C)(O)CC(=O)[O-] C39647 [0,0,0,0,0,0|1,1,2]=4 3 B6R0.2 CC(=O)NC(C)C P40402 [1,0,0,0,0,0|1,0,2]=4 4 B6R0.2 CC(C)CB(O)O M4460 [1,0,0,0,0,0|2,0,0]=3 5 B6R0.2 CC(C)C[C@H](C)N M43511 [1,0,0,0,0,0|1,0,0]=2 6 B6R0.2 CC(C)NC(C)C D64760 [1,0,0,0,0,0|2,0,0]=3 7 B6R0.2 C[C@@H](N)CC(=O)O A37837 [1,0,0,0,0,0|2,0,1]=4 8 B6R0.2 C[C@@H](N)CC(=O)O A40348 [1,0,0,0,0,0|2,0,1]=4 9 B6R0.2 C[C@@H](O)CC(=O)[O-] S37350 [1,0,0,0,0,0|1,1,1]=4 10 B6R0.2 C[C@@H](O)C[C@@H](C)O P40432 [1,0,0,0,0,0|0,1,0]=2 11 B6R0.2 C[C@H](N)CC(=O)O A40265 [1,0,0,0,0,0|2,0,1]=4 12 B6R0.2 C[C@H](O)CC(=O)O H38871 [1,0,0,0,0,0|1,1,1]=4 13 B6R0.2 C[C@H](O)CC(=O)[O-] S40298 [1,0,0,0,0,0|1,1,1]=4 14 B6R0.2 C[C@H](O)C[C@H](C)O P40433 [1,0,0,0,0,0|0,1,0]=2 15 B6R0.5 C=CCC(C)(C)O M8263 [1,0,0,0,0,0|0,1,2]=4 16 B6R0.5 CC(C)(C)CCBr B41571 [1,0,0,0,0,0|2,0,0]=3 17 B6R0.5 CC(C)(F)CCN F62077 [1,0,0,0,0,0|2,0,0]=3 18 B6R0.5 CC(C)(N)CCN M37075 [1,0,0,0,0,0|2,0,0]=3 19 B6R0.5 CC(C)(N)CCO A40444 [1,0,0,0,0,0|1,0,0]=2 20 B6R0.5 CC(C)(O)CCN A61563 [1,0,0,0,0,0|1,1,0]=3 21 B6R0.5 CCC[N+](C)(C)C T43586 [1,0,0,0,0,0|2,0,0]=3 22 B6R0.5 CNCC(C)(C)O M40445 [1,0,0,0,0,0|1,1,0]=3 23 B6R0.5 COCC(C)(C)O M40434 [1,0,0,0,0,0|1,1,0]=3 24 B6R0.5 C[N+](C)(C)CCO H63396 [1,0,0,0,0,0|2,0,0]=3 25 B6R0.5 OCCC(F)(F)F T39864 [1,0,0,0,0,0|3,0,0]=4 26 B8R0.24 COC(=O)CC(C)(C)O M41558 [0,1,0,0,0,0|0,1,2]=4 27 B8R0.24 C[N+](C)(C)C[C@@H](O)CCl C63901 [0,1,0,0,0,0|2,0,0]=3 28 B8R0.24 C[N+](C)(C)C[C@H](O)CCl C60647 [0,1,0,0,0,0|2,0,0]=3 29 B8R0.24 C[N+](C)(C)C[C@H](O)CCl C63900 [0,1,0,0,0,0|2,0,0]=3 30 B8R0.27 CC(C)(C)[C@H](N)C(=O)O A22282 [0,1,0,0,0,0|2,0,1]=4 31 B8R0.27 CC(C)(C)[C@H](N)C(=O)O A67484 [0,1,0,0,0,0|2,0,1]=4 32 B8R0.27 CC(C)(C)[C@H](O)C(=O)O H41560 [0,1,0,0,0,0|2,0,1]=4 33 B8R0.27 CC(C)(O)[C@@H](N)C(=O)O A40416 [0,1,0,0,0,0|1,1,1]=4 34 B8R0.27 CC(C)(S)[C@@H](N)C(=O)O A24088 [0,1,0,0,0,0|1,0,1]=3 35 B8R0.27 CC(C)(S)[C@H](N)C(=O)O A69092 [0,1,0,0,0,0|1,0,1]=3 36 B8R0.34 CC(C)(CN)CC(=O)O A60787 [0,1,0,0,0,0|2,0,1]=4 37 B8R0.34 CC(C)(CN)CC(=O)O A67050 [0,1,0,0,0,0|2,0,1]=4 38 B8R1.51 CC1(C)C[C@H](O)CN1 D60304 [0,0,0,1,0,0|1,0,0]=2 39 B8R1.51 CC1(O)CCC(N)C1 H14948 [0,0,0,1,0,0|1,1,0]=3 40 B8R1.51 N[C@@H]1CCC(F)(F)C1 D11726 [0,0,0,1,0,0|3,0,0]=4 41 B8R1.51 N[C@H]1CCC(F)(F)C1 D11724 [0,0,0,1,0,0|3,0,0]=4 42 B8R1.51 N[C@H]1CCC(F)(F)C1 D7892 [0,0,0,1,0,0|3,0,0]=4 43 B8R1.51 O[C@@H]1CCC(F)(F)C1 D59655 [0,0,0,1,0,0|2,0,0]=3 44 B8R1.51 O[C@H]1CCC(F)(F)C1 D26064 [0,0,0,1,0,0|2,0,0]=3 45 B8R1.51 O[C@H]1CCC(F)(F)C1 D59656 [0,0,0,1,0,0|2,0,0]=3 46 B8R1.73 CC1(N)CC(F)(F)C1 D20253 [0,0,0,1,0,0|3,0,0]=4 47 B8R1.77 CC1(C)C[C@@H]1C(=O)O D19962 [0,0,0,1,0,0|2,0,1]=4 48 B8R1.77 CC1(C)C[C@@H]1C(=O)O D25255 [0,0,0,1,0,0|2,0,1]=4 49 B6R0.7 CC(C)(F)C(=O)O F60900 [0,0,0,0,1,0|2,0,1]=4 50 B6R0.7 C[C@@H](N)C(C)(C)C D23001 [0,0,0,0,1,0|2,0,0]=3 51 B8R0.29 CC(C)(C)NCC(=O)O B43496 [0,0,0,0,0,1|2,0,1]=4 52 B8R0.29 CC(C)(C)OCC(=O)O B41556 [0,0,0,0,0,1|2,0,1]=4 53 B8R0.29 CC(C)NCC(C)(C)N M64179 [0,0,0,0,0,1|2,0,0]=3 54 B5R0.1 C=CC[C@H](C)O P62507 [2,0,0,0,0,0|0,0,2]=4 55 B5R0.1 CC#C[C@H](C)O B1790 [2,0,0,0,0,0|0,0,2]=4 56 B5R0.1 CC(C)CNN B40316 [2,0,0,0,0,0|2,0,0]=4 57 B5R0.1 CC(C)\C=N\O I2624 [2,0,0,0,0,0|1,0,1]=4 58 B5R0.1 CCCB(O)O P5056 [2,0,0,0,0,0|2,0,0]=4 59 B5R0.1 CCC[C@@H](C)N P16023 [2,0,0,0,0,0|1,0,0]=3 60 B5R0.1 CCC[C@H](C)N P22363 [2,0,0,0,0,0|1,0,0]=3 61 B5R0.1 CN(C)CCBr B39953 [2,0,0,0,0,0|2,0,0]=4 62 B5R0.1 COC[C@@H](C)N M40311 [2,0,0,0,0,0|2,0,0]=4 63 B5R0.1 COC[C@@H](C)O M39959 [2,0,0,0,0,0|1,0,0]=3 64 B5R0.1 COC[C@H](C)O M61064 [2,0,0,0,0,0|1,0,0]=3 65 B5R0.1 C[C@@H](N)CCO A10772 [2,0,0,0,0,0|1,0,0]=3 66 B5R0.1 C[C@H](N)CCO A10771 [2,0,0,0,0,0|1,0,0]=3 67 B5R0.1 C[C@H](N)CCO A39964 [2,0,0,0,0,0|1,0,0]=3 68 B5R0.1 C[C@H](O)CCO B68917 [2,0,0,0,0,0|0,1,0]=3 69 B5R0.1 OCCC(F)F D60407 [2,0,0,0,0,0|2,0,0]=4 70 B5R0.4 CC(C)(C)CN D41344 [2,0,0,0,0,0|2,0,0]=4 71 B5R0.4 CC(C)(C)C[Mg+] D31702 [2,0,0,0,0,0|2,0,0]=4 72 B5R0.4 CC(C)(C)NO B41419 [2,0,0,0,0,0|2,0,0]=4 73 B5R0.4 CC(C)(F)CO F64897 [2,0,0,0,0,0|1,0,0]=3 74 B5R0.4 CC(C)(N)CN M25502 [2,0,0,0,0,0|2,0,0]=4 75 B5R0.4 CC(C)(N)CO A68632 [2,0,0,0,0,0|1,0,0]=3 76 B5R0.4 CC(C)(O)CCl C40272 [2,0,0,0,0,0|1,1,0]=4 77 B5R0.4 CC(C)(O)CN A10987 [2,0,0,0,0,0|1,1,0]=4 78 B5R0.4 CC(C)(O)CO M37968 [2,0,0,0,0,0|0,1,0]=3 79 B5R0.4 CC(C)(S)CN A40315 [2,0,0,0,0,0|1,0,0]=3 80 B7R0.2 CC(C)C[C@@H](N)CO L41620 [1,1,0,0,0,0|1,0,0]=3 81 B7R0.2 CC(C)C[C@H](N)CO A68907 [1,1,0,0,0,0|1,0,0]=3 82 B7R0.2 CC[C@H](C)CC(=O)O M41552 [1,1,0,0,0,0|1,0,1]=4 83 B7R0.2 CN(C)C[C@H](O)CO D68905 [1,1,0,0,0,0|1,0,0]=3 84 B7R0.2 COC(=O)C[C@@H](C)O M68364 [1,1,0,0,0,0|0,1,1]=4 85 B7R0.2 COC(=O)C[C@H](C)O M37970 [1,1,0,0,0,0|0,1,1]=4 86 B7R0.2 C[C@H](CCl)CN(C)C C41612 [1,1,0,0,0,0|2,0,0]=4 87 B7R0.16 CC(C)C(N)C(C)C D46525 [1,1,0,0,0,0|1,0,0]=3 88 B7R0.16 CC(C)[C@@H](N)C(=O)O A60652 [1,1,0,0,0,0|1,0,1]=4 89 B7R0.16 CC(C)[C@@H](O)C(=O)O H64151 [1,1,0,0,0,0|1,0,1]=4 90 B7R0.16 CC(C)[C@H](N)C(=N)O V67982 [1,1,0,0,0,0|1,0,1]=4 91 B7R0.16 CC(C)[C@H](O)C(=O)O H40392 [1,1,0,0,0,0|1,0,1]=4 92 B7R0.8 C[N+](C)(C)CCCBr B68260 [1,1,0,0,0,0|2,0,0]=4 93 B7R0.14 CC(C)(C)[C@@H](N)CO L32323 [1,1,0,0,0,0|1,0,0]=3 94 B7R0.14 CC(C)(C)[C@H](N)CO L32374 [1,1,0,0,0,0|1,0,0]=3 95 B7R0.17 CC(C)(O)C(C)(C)O D38416 [0,1,0,0,1,0|0,1,0]=3 96 B9R0.21 CC(C)(C)NC[C@H](O)CO B43955 [0,1,0,0,0,1|1,0,0]=3 97 B9R0.57 C[C@@H](O)C(=O)OC(C)(C)C B64149 [0,1,0,0,0,1|1,0,1]=4 98 B9R0.57 C[C@H](O)C(=O)OC(C)(C)C B64150 [0,1,0,0,0,1|1,0,1]=4 99 B9R0.77 CC(C)(Cl)CCC(C)(C)Cl D47144 [0,1,0,0,0,1|2,0,0]=4 100 B7R1.2 CN1CC[C@@H](N)C1 M0134 [1,0,0,1,0,0|2,0,0]=4 101 B7R1.2 CN1CC[C@@H](O)C1 H0285 [1,0,0,1,0,0|1,0,0]=3 102 B7R1.2 CN1CC[C@H](N)C1 M0133 [1,0,0,1,0,0|2,0,0]=4 103 B7R1.2 CN1CC[C@H](N)C1 M0135 [1,0,0,1,0,0|2,0,0]=4 104 B7R1.2 CN1CC[C@H](O)C1 H0283 [1,0,0,1,0,0|1,0,0]=3 105 B7R1.2 CN1CC[C@H](O)C1 H0284 [1,0,0,1,0,0|1,0,0]=3 106 B7R1.2 C[C@@H]1CC[C@@H](C)N1 D60301 [1,0,0,1,0,0|2,0,0]=4 107 B7R1.2 C[C@@H]1C[C@H](O)CN1 M29502 [1,0,0,1,0,0|1,0,0]=3 108 B7R1.2 C[C@H]1C[C@H](O)CN1 M29501 [1,0,0,1,0,0|1,0,0]=3 109 B7R1.2 NC1CCC(O)C1 A1764 [1,0,0,1,0,0|1,0,0]=3 110 B7R1.2 N[C@@H]1CC[C@@H](O)C1 A27718 [1,0,0,1,0,0|1,0,0]=3 111 B7R1.2 N[C@@H]1CC[C@H](O)C1 A11831 [1,0,0,1,0,0|1,0,0]=3 112 B7R1.2 N[C@@H]1CC[C@H](O)C1 A18160 [1,0,0,1,0,0|1,0,0]=3 113 B7R1.2 N[C@H]1CC[C@@H](F)C1 F60334 [1,0,0,1,0,0|2,0,0]=4 114 B7R1.2 N[C@H]1CC[C@@H](N)C1 C41386 [1,0,0,1,0,0|2,0,0]=4 115 B7R1.2 N[C@H]1CC[C@@H](O)C1 A18401 [1,0,0,1,0,0|1,0,0]=3 116 B7R1.2 N[C@H]1CC[C@H](N)C1 C41388 [1,0,0,1,0,0|2,0,0]=4 117 B7R1.2 N[C@H]1CC[C@H](O)C1 A11832 [1,0,0,1,0,0|1,0,0]=3 118 B7R1.2 N[C@H]1CC[C@H](O)C1 A20210 [1,0,0,1,0,0|1,0,0]=3 119 B7R1.2 O=C1CC[C@H](O)C1 H22750 [1,0,0,1,0,0|0,1,1]=4 120 B7R1.2 OC1CCC(O)C1 C24450 [1,0,0,1,0,0|0,1,0]=3 121 B7R1.2 O[C@@H]1CC[C@@H](O)C1 C20800 [1,0,0,1,0,0|0,1,0]=3 122 B7R1.2 O[C@H]1CC[C@@H](O)C1 C20799 [1,0,0,1,0,0|0,1,0]=3 123 B7R1.12 C[C@@H]1C[C@@H]1C(=O)O M59914 [1,0,0,1,0,0|1,0,1]=4 124 B7R1.12 C[C@@H]1C[C@H]1C(=O)O M24588 [1,0,0,1,0,0|1,0,1]=4 125 B7R1.12 C[C@H]1C[C@H]1C(=O)O M24546 [1,0,0,1,0,0|1,0,1]=4 126 B7R1.12 C[C@H]1C[C@H]1C(=O)O M59857 [1,0,0,1,0,0|1,0,1]=4 127 B7R1.16 CC1(C)CC(N)C1 D18434 [1,0,0,1,0,0|1,0,0]=3 128 B7R1.16 CC1(C)CC(O)C1 D24163 [1,0,0,1,0,0|0,0,0]=2 129 B7R1.16 CC1(F)CC(N)C1 F21497 [1,0,0,1,0,0|2,0,0]=4 130 B7R1.16 CC1(N)CC(O)C1 A11703 [1,0,0,1,0,0|1,0,0]=3 131 B7R1.16 C[C@]1(N)C[C@@H](O)C1 A11704 [1,0,0,1,0,0|1,0,0]=3 132 B7R1.16 C[C@]1(N)C[C@H](O)C1 A11705 [1,0,0,1,0,0|1,0,0]=3 133 B7R1.16 C[C@]1(O)C[C@@H](N)C1 SB8010 [1,0,0,1,0,0|1,0,0]=3 134 B7R1.16 C[C@]1(O)C[C@H](N)C1 SB7371 [1,0,0,1,0,0|1,0,0]=3 135 B7R1.16 OC1CC(F)(F)C1 D11666 [1,0,0,1,0,0|2,0,0]=4 136 B7R1.20 O=C(O)CC1CC1 C11216 [1,0,0,1,0,0|1,0,1]=4 137 B7R1.14 CC1(C)CCCN1 D24602 [1,0,0,1,0,0|1,0,0]=3 138 B7R1.14 CC1(C)CCNC1 D1149 [1,0,0,1,0,0|2,0,0]=4 139 B7R1.14 CC1(O)CCCC1 M41551 [1,0,0,1,0,0|0,1,0]=3 140 B7R1.14 C[C@@]1(O)CCNC1 M23456 [1,0,0,1,0,0|1,1,0]=4 141 B7R1.14 C[C@]1(F)CCNC1 F29656 [1,0,0,1,0,0|2,0,0]=4 142 B7R1.14 C[C@]1(N)CCOC1 A11772 [1,0,0,1,0,0|1,0,0]=3 143 B7R1.14 C[C@]1(O)CCNC1 H0280 [1,0,0,1,0,0|1,1,0]=4 144 B7R1.14 C[C@]1(O)CCNC1 M10113 [1,0,0,1,0,0|1,1,0]=4 145 B7R1.14 C[C@]1(O)CCNC1 M18574 [1,0,0,1,0,0|1,1,0]=4 146 B7R1.14 C[C@]1(O)CCNC1 M59983 [1,0,0,1,0,0|1,1,0]=4 147 B7R1.21 CC1(CCO)CC1 M22121 [1,0,0,1,0,0|1,0,0]=3 148 B7R1.21 CC1(CCO)N=N1 M32161 [1,0,0,1,0,0|2,0,0]=4 149 B7R1.23 OC[C@@H]1CC1(F)F D59953 [1,0,0,1,0,0|2,0,0]=4 150 B7R1.17 CC1(C)CC[C@@H]1O D60329 [0,0,0,1,1,0|1,0,0]=3 151 B7R1.17 CC1(C)OC[C@@H]1N D59836 [0,0,0,1,1,0|1,1,0]=4 152 B9R1.10 CC1(C)CCC(N)CC1 D22258 [0,0,0,1,0,1|2,0,0]=4 153 B9R1.10 CC1(C)CCC(O)CC1 D26593 [0,0,0,1,0,1|1,0,0]=3 154 B9R1.10 CC1(C)OCC(N)CO1 D38861 [0,0,0,1,0,1|1,1,0]=4 155 B9R1.10 CC1(O)CCC(N)CC1 A12148 [0,0,0,1,0,1|1,1,0]=4 156 B9R1.10 C[C@]1(N)CC[C@@H](O)CC1 A15689 [0,0,0,1,0,1|1,0,0]=3 157 B9R1.10 C[C@]1(N)CC[C@@H](O)CC1 A26537 [0,0,0,1,0,1|1,0,0]=3 158 B9R1.10 C[C@]1(N)CC[C@H](O)CC1 A11689 [0,0,0,1,0,1|1,0,0]=3 159 B9R1.10 C[C@]1(O)CC[C@@H](O)CC1 M29578 [0,0,0,1,0,1|0,1,0]=3 160 B9R1.10 C[C@]1(O)CC[C@H](N)CC1 A8199 [0,0,0,1,0,1|1,1,0]=4 161 B9R1.10 C[C@]1(O)CC[C@H](N)CC1 A8200 [0,0,0,1,0,1|1,1,0]=4 162 B9R1.10 OC1CCC(F)(F)CC1 D22468 [0,0,0,1,0,1|2,0,0]=4 163 B9R1.51 CC(C)(C)N1CC(N)C1 B22018 [0,0,0,1,0,1|2,0,0]=4 164 B9R1.51 CC(C)(C)N1CC(O)C1 A10909 [0,0,0,1,0,1|1,0,0]=3 165 B9R1.66 CC1(C)CCC[C@H](N)C1 D59653 [0,1,0,1,0,0|2,0,0]=4 166 B9R1.66 CC1(C)C[C@@H](N)CCO1 D22688 [0,1,0,1,0,0|1,1,0]=4 167 B9R1.66 CC1(C)C[C@@H](O)CCN1 D43908 [0,1,0,1,0,0|1,0,0]=3 168 B9R1.66 CC1(C)C[C@@H](O)CCN1 D62322 [0,1,0,1,0,0|1,0,0]=3 169 B9R1.133 CC1(C)CN[C@@H](CO)C1 D43918 [0,1,0,1,0,0|2,0,0]=4 170 B9R1.133 CC1(C)OC[C@@H](CO)O1 D68020 [0,1,0,1,0,0|1,1,0]=4 171 B9R1.133 CC1(C)OC[C@H](CO)O1 D41561 [0,1,0,1,0,0|1,1,0]=4 172 B9R1.133 CC1(C)OC[C@H](CO)O1 D69140 [0,1,0,1,0,0|1,1,0]=4 173 B9R1.133 OC[C@@H]1CCC(F)(F)C1 D14945 [0,1,0,1,0,0|2,0,0]=4 174 B9R1.133 OC[C@H]1CCC(F)(F)C1 D11725 [0,1,0,1,0,0|2,0,0]=4 175 B9R1.133 OC[C@H]1CCC(F)(F)C1 D14953 [0,1,0,1,0,0|2,0,0]=4 176 B9R1.200 CC1(CO)CC(F)(F)C1 D11741 [0,1,0,1,0,0|2,0,0]=4 177 B9R1.223 CC1(C)SC(C)(C)C1=O T6158 [0,1,0,1,0,0|1,0,1]=4 178 B9R1.128 O=C(O)CC1(CS)CC1 M62742 [0,1,0,1,0,0|1,0,1]=4 179 B9R2.198 CC12CC(N)(CO1)C2 M60119 [0,0,0,2,0,0|1,0,0]=3 180 B5R0.5 CC(C)B(O)O P39893 [1,0,0,0,1,0|2,0,0]=4 181 B5R0.5 C[C@@H](O)[C@@H](C)O B39957 [1,0,0,0,1,0|0,1,0]=3 182 B5R0.5 C[C@H](O)[C@H](C)O B39958 [1,0,0,0,1,0|0,1,0]=3 183 B7R0.6 C[C@H](O)CC[C@H](C)O H68605 [1,0,0,0,0,1|0,1,0]=3