0 B9R1.35 CC(C)[C@@H]1COC(=O)N1 092262 [0,0,0,0,0,0|3,0,1]=4 1 B9R1.35 CC(C)[C@H]1COC(=O)N1 208760 [0,0,0,0,0,0|3,0,1]=4 2 B9R1.35 O=C(O)[C@@H]1C[C@@H](O)CN1 M03214 [0,0,0,0,0,0|2,0,2]=4 3 B9R1.35 O=C(O)[C@H]1C[C@@H](O)CN1 040068 [0,0,0,0,0,0|2,0,2]=4 4 B9R1.35 O=C1CCC(C(=O)O)C1 022952 [0,0,0,0,0,0|1,0,0]=1 5 B9R1.35 O=C1CCC(C(=O)O)N1 214708 [0,0,0,0,0,0|0,0,0]=0 6 B9R1.35 O=C1CC[C@@H](C(=O)O)N1 M03204 [0,0,0,0,0,0|0,0,0]=0 7 B9R1.35 O=C1CC[C@H](C(=O)O)N1 044639 [0,0,0,0,0,0|0,0,0]=0 8 B8R1.1 NCC1CCC(=O)N1 318323 [1,0,0,0,0,0|1,0,1]=3 9 B8R1.1 O=C1CC(CO)CN1 038551 [1,0,0,0,0,0|2,0,1]=4 10 B8R1.1 O=C1CC[C@@H](CO)N1 093783 [1,0,0,0,0,0|0,0,1]=2 11 B8R1.1 O=C1CC[C@@H](CO)O1 040029 [1,0,0,0,0,0|1,0,1]=3 12 B8R1.1 O=C1CC[C@H](CO)N1 040026 [1,0,0,0,0,0|0,0,1]=2 13 B8R1.1 O=C1OCC(CO)O1 521458 [1,0,0,0,0,0|2,0,1]=4 14 B8R1.7 NC(=O)C1CCCC1 440626 [1,0,0,0,0,0|2,0,1]=4 15 B8R1.7 NC(=O)[C@@H]1CCCN1 011847 [1,0,0,0,0,0|1,0,1]=3 16 B8R1.7 NC(=O)[C@@H]1CCCN1 240702 [1,0,0,0,0,0|1,0,1]=3 17 B8R1.7 NC(=O)[C@H]1CCCN1 011848 [1,0,0,0,0,0|1,0,1]=3 18 B8R1.7 NC(=O)[C@H]1CCCN1 M02958 [1,0,0,0,0,0|1,0,1]=3 19 B8R1.7 O=C(Cl)C1CCCC1 050562 [1,0,0,0,0,0|2,0,1]=4 20 B8R1.7 O=C(O)C1=CC=CN1 066141 [1,0,0,0,0,0|0,0,3]=4 21 B8R1.7 O=C(O)C1=COCC1 040021 [1,0,0,0,0,0|2,0,1]=4 22 B8R1.7 O=C(O)C1=NC=CN1 043636 [1,0,0,0,0,0|1,0,2]=4 23 B8R1.7 O=C(O)C1CC=CC1 011660 [1,0,0,0,0,0|1,0,1]=3 24 B8R1.7 O=C(O)C1CCCC1 094575 [1,0,0,0,0,0|1,0,1]=3 25 B8R1.7 O=C(O)C1CCCN1 M02942 [1,0,0,0,0,0|0,0,1]=2 26 B8R1.7 O=C(O)C1CCCO1 225736 [1,0,0,0,0,0|1,0,1]=3 27 B8R1.7 O=C(O)C1CCNC1 093908 [1,0,0,0,0,0|2,0,0]=3 28 B8R1.7 O=C(O)C1CCOC1 034484 [1,0,0,0,0,0|2,0,0]=3 29 B8R1.7 O=C(O)C1NCCS1 005324 [1,0,0,0,0,0|1,0,1]=3 30 B8R1.7 O=C(O)[C@@H]1CCCN1 M02947 [1,0,0,0,0,0|0,0,1]=2 31 B8R1.7 O=C(O)[C@@H]1CCCO1 093764 [1,0,0,0,0,0|1,0,1]=3 32 B8R1.7 O=C(O)[C@@H]1CCNC1 093911 [1,0,0,0,0,0|2,0,0]=3 33 B8R1.7 O=C(O)[C@@H]1CSCN1 036413 [1,0,0,0,0,0|1,0,1]=3 34 B8R1.7 O=C(O)[C@H]1CCCN1 011849 [1,0,0,0,0,0|0,0,1]=2 35 B8R1.7 O=C(O)[C@H]1CSCN1 226021 [1,0,0,0,0,0|1,0,1]=3 36 B10R1.14 COC(=O)C1CCC(=O)C1 093546 [0,1,0,0,0,0|1,0,0]=2 37 B10R1.14 COC(=O)[C@@H]1CCC(=O)N1 076841 [0,1,0,0,0,0|0,0,0]=1 38 B10R1.55 O=C1CCC(C(F)(F)F)N1 214417 [0,1,0,0,0,0|2,0,1]=4 39 B10R1.55 O=C1CC[C@@H](C(F)(F)F)N1 214415 [0,1,0,0,0,0|2,0,1]=4 40 B10R1.58 CN1CC(C(=O)O)CC1=O 028713 [0,1,0,0,0,0|2,0,0]=3 41 B8R0.8 CCCCC(Br)C(=O)O 004238 [0,0,1,0,0,0|2,0,1]=4 42 B8R0.8 CCCCC(C)C(=O)O 038355 [0,0,1,0,0,0|2,0,1]=4 43 B8R0.8 CCCCC(N)C(=O)O 045400 [0,0,1,0,0,0|1,0,1]=3 44 B8R0.8 CCCCC(O)C(=O)O 013596 [0,0,1,0,0,0|2,0,1]=4 45 B8R0.8 CCCC[C@@H](N)C(=O)O 236958 [0,0,1,0,0,0|1,0,1]=3 46 B8R0.8 CCCC[C@H](N)C(=O)O M03242 [0,0,1,0,0,0|1,0,1]=3 47 B8R0.8 CSCCC(N)C(=O)O 209039 [0,0,1,0,0,0|2,0,0]=3 48 B8R0.8 CSCC[C@H](N)C(=O)O M02939 [0,0,1,0,0,0|2,0,0]=3 49 B8R0.8 CSCC[C@H](N)C(=O)O M02945 [0,0,1,0,0,0|2,0,0]=3 50 B8R0.8 NCCCC(N)C(=O)O 364183 [0,0,1,0,0,0|1,0,1]=3 51 B8R0.9 COC(=O)CCC(=O)Cl 366676 [0,0,1,0,0,0|3,0,0]=4 52 B8R0.9 COC(=O)CCC(=O)O 001779 [0,0,1,0,0,0|2,0,0]=3 53 B8R0.9 COC(=O)CCC(C)=O 099360 [0,0,1,0,0,0|3,0,0]=4 54 B8R0.9 COC(=O)\C=C\C(=O)O 094823 [0,0,1,0,0,0|2,0,1]=4 55 B8R0.9 COC(=O)\C=C\C(=O)O 102026 [0,0,1,0,0,0|2,0,1]=4 56 B8R0.9 NCC(=O)CCC(=O)O 066621 [0,0,1,0,0,0|2,0,0]=3 57 B8R0.9 NCC(=O)NCC(=O)O 094740 [0,0,1,0,0,0|1,0,0]=2 58 B8R0.23 CC(=O)CC(C)C(=O)O 066644 [0,0,1,0,0,0|1,0,0]=2 59 B8R0.23 CC(=O)N[C@@H](C)C(=O)O M03026 [0,0,1,0,0,0|0,0,0]=1 60 B8R0.23 CC(=O)OC(C)C(=O)O 104166 [0,0,1,0,0,0|1,0,0]=2 61 B8R0.23 CC(=O)O[C@@H](C)C(=O)O 036652 [0,0,1,0,0,0|1,0,0]=2 62 B8R0.23 CS(=O)C[C@H](N)C(=O)O 226042 [0,0,1,0,0,0|3,0,0]=4 63 B8R0.23 NC(=O)C[C@H](N)C(=O)O 236717 [0,0,1,0,0,0|3,0,0]=4 64 B8R0.23 NC(=O)C[C@H](N)C(=O)O M02998 [0,0,1,0,0,0|3,0,0]=4 65 B8R0.23 NC(CC(=O)O)C(=O)O 237050 [0,0,1,0,0,0|3,0,0]=4 66 B8R0.23 N[C@@H](CC(=O)O)C(=O)O 102085 [0,0,1,0,0,0|3,0,0]=4 67 B8R0.23 N[C@@H](CC(=O)O)C(=O)O M03000 [0,0,1,0,0,0|3,0,0]=4 68 B8R0.23 N[C@H](CC(=O)O)C(=O)O 040077 [0,0,1,0,0,0|3,0,0]=4 69 B8R0.23 O=C(O)CC(Br)C(=O)O 433194 [0,0,1,0,0,0|3,0,0]=4 70 B8R0.23 O=C(O)CC(O)C(=O)O 364219 [0,0,1,0,0,0|3,0,0]=4 71 B8R0.23 O=C(O)CC(S)C(=O)O 358266 [0,0,1,0,0,0|3,0,0]=4 72 B8R0.23 O=C(O)C[C@@H](O)C(=O)O 040082 [0,0,1,0,0,0|3,0,0]=4 73 B8R0.23 O=C(O)C[C@H](O)C(=O)O 152310 [0,0,1,0,0,0|3,0,0]=4 74 B8R0.28 CC(=O)CCCC(=O)O 208771 [0,0,1,0,0,0|1,0,0]=2 75 B8R0.28 CC(=O)NCCC(=O)O 208784 [0,0,1,0,0,0|2,0,0]=3 76 B8R0.28 CC(=O)SCCC(=O)O 104707 [0,0,1,0,0,0|2,0,0]=3 77 B8R0.28 CC(C)CCCC(=O)O 002773 [0,0,1,0,0,0|2,0,1]=4 78 B8R0.28 CN(C)CCCC(=O)O 236794 [0,0,1,0,0,0|3,0,0]=4 79 B8R0.28 N=C(N)NCCC(=O)O 242928 [0,0,1,0,0,0|2,0,0]=3 80 B8R0.28 O=C(Cl)CCCC(=O)Cl 095828 [0,0,1,0,0,0|2,0,0]=3 81 B8R0.28 O=C(O)CCCC(=O)O 143400 [0,0,1,0,0,0|1,0,0]=2 82 B8R0.28 O=C(O)CNCC(=O)O 358251 [0,0,1,0,0,0|2,0,0]=3 83 B8R0.28 O=C(O)COCC(=O)O 099137 [0,0,1,0,0,0|2,0,0]=3 84 B8R0.28 O=C(O)CSCC(=O)O 099003 [0,0,1,0,0,0|2,0,0]=3 85 B8R1.23 O=C1CC(C(=O)O)C1 066492 [0,0,0,0,1,0|1,0,0]=2 86 B10R1.13 CC(=O)C1CC=C(C)CC1 223842 [0,0,0,0,0,1|3,0,0]=4 87 B10R1.13 CC(=O)N1CCC(=O)CC1 221688 [0,0,0,0,0,1|3,0,0]=4 88 B10R1.13 CC1CCC(C(=O)O)CC1 402569 [0,0,0,0,0,1|2,0,1]=4 89 B10R1.13 CN1CCC(C(=O)O)CC1 009864 [0,0,0,0,0,1|3,0,0]=4 90 B10R1.13 CN1CCC(C(=O)O)CC1 066347 [0,0,0,0,0,1|3,0,0]=4 91 B10R1.13 C[C@H]1CC[C@H](C(=O)O)CC1 218968 [0,0,0,0,0,1|2,0,1]=4 92 B10R1.13 NC1CCC(C(=O)O)CC1 013927 [0,0,0,0,0,1|2,0,1]=4 93 B10R1.13 N[C@H]1CC[C@@H](C(=O)O)CC1 047831 [0,0,0,0,0,1|2,0,1]=4 94 B10R1.13 N[C@H]1CC[C@H](C(=O)O)CC1 036671 [0,0,0,0,0,1|2,0,1]=4 95 B10R1.13 O=C(O)C1CCC(O)CC1 066493 [0,0,0,0,0,1|1,0,2]=4 96 B10R1.13 O=C(O)[C@H]1CC[C@@H](O)CC1 053323 [0,0,0,0,0,1|1,0,2]=4 97 B10R1.13 O=C(O)[C@H]1CC[C@H](O)CC1 242212 [0,0,0,0,0,1|1,0,2]=4 98 B10R1.13 O=C1C=CC(C(=O)O)=NN1 028551 [0,0,0,0,0,1|0,0,3]=4 99 B10R1.113 CC1CCCC(C(=O)O)N1 391500 [0,0,0,0,0,1|1,0,1]=3 100 B10R1.113 CN1CCCC(C(=O)O)C1 009810 [0,0,0,0,0,1|3,0,0]=4 101 B10R1.113 NC1CCCC(C(=O)O)C1 103600 [0,0,0,0,0,1|2,0,1]=4 102 B10R1.113 N[C@H]1CCC[C@@H](C(=O)O)C1 233814 [0,0,0,0,0,1|2,0,1]=4 103 B10R1.113 O=C1CCC[C@H](C(=O)O)N1 040124 [0,0,0,0,0,1|0,0,0]=1 104 B10R1.113 O=C1CSCC(C(=O)O)N1 028304 [0,0,0,0,0,1|0,0,0]=1 105 B7R0.3 CCC(=O)NCCO 402339 [1,0,1,0,0,0|0,0,1]=3 106 B7R0.4 C#CCCCC(=O)O 145705 [1,0,1,0,0,0|1,0,1]=4 107 B7R0.4 C=CCCCC(=O)O 200742 [1,0,1,0,0,0|1,0,0]=3 108 B7R0.4 C=CCNCC(=O)O 040171 [1,0,1,0,0,0|2,0,0]=4 109 B7R0.4 CCCCCC(=O)O 066626 [1,0,1,0,0,0|1,0,1]=4 110 B7R0.4 CCCSCC(=O)O 311047 [1,0,1,0,0,0|1,0,1]=4 111 B7R0.4 NCCCCC(=O)O 226047 [1,0,1,0,0,0|0,0,1]=3 112 B7R0.4 NCCOCC(=O)O 046334 [1,0,1,0,0,0|1,0,1]=4 113 B7R0.4 O=C(O)CCCCBr 075266 [1,0,1,0,0,0|1,0,1]=4 114 B7R0.5 C=CCC(C)C(=O)O 239804 [1,0,1,0,0,0|1,0,1]=4 115 B7R0.5 C=CC[C@@H](N)C(=O)O 218874 [1,0,1,0,0,0|0,0,1]=3 116 B7R0.5 C=CC[C@H](N)C(=O)O 062238 [1,0,1,0,0,0|0,0,1]=3 117 B7R0.5 CC(NC=O)C(=O)O 329655 [1,0,1,0,0,0|0,0,0]=2 118 B7R0.5 CCCC(Br)C(=O)O 114500 [1,0,1,0,0,0|1,0,1]=4 119 B7R0.5 CCCC(C)C(=O)O 239960 [1,0,1,0,0,0|1,0,1]=4 120 B7R0.5 CCCC(N)C(=O)O 044733 [1,0,1,0,0,0|0,0,1]=3 121 B7R0.5 CCC[C@@H](N)C(=O)O 044736 [1,0,1,0,0,0|0,0,1]=3 122 B7R0.5 CCC[C@H](N)C(=O)O 036432 [1,0,1,0,0,0|0,0,1]=3 123 B7R0.5 COC[C@@H](N)C(=O)O 079034 [1,0,1,0,0,0|1,0,1]=4 124 B7R0.5 COC[C@H](N)C(=O)O 093724 [1,0,1,0,0,0|1,0,1]=4 125 B7R0.5 CSC[C@H](N)C(=O)O 045340 [1,0,1,0,0,0|1,0,1]=4 126 B7R0.5 NCC[C@H](N)C(=O)O 493318 [1,0,1,0,0,0|1,0,0]=3 127 B7R0.5 NCC[C@H](O)C(=O)O 011347 [1,0,1,0,0,0|2,0,0]=4 128 B7R0.5 N[C@@H](CCO)C(=O)O 040037 [1,0,1,0,0,0|0,0,1]=3 129 B7R0.6 CC(=O)CCC(=O)O 079484 [1,0,1,0,0,0|1,0,0]=3 130 B7R0.6 CC(=O)CCC(C)=O 494125 [1,0,1,0,0,0|2,0,0]=4 131 B7R0.6 CC(=O)NCC(=O)O 097974 [1,0,1,0,0,0|0,0,0]=2 132 B7R0.6 CC(=O)OCC(=O)O 228175 [1,0,1,0,0,0|1,0,0]=3 133 B7R0.6 N=C(N)NCC(=O)O 450285 [1,0,1,0,0,0|2,0,0]=4 134 B7R0.6 NC(=O)NCC(=O)O 066647 [1,0,1,0,0,0|1,0,0]=3 135 B7R0.6 O=C(O)CCC(=O)O 104604 [1,0,1,0,0,0|2,0,0]=4 136 B7R0.6 O=C(O)CCC(=O)O 239121 [1,0,1,0,0,0|2,0,0]=4 137 B7R0.6 O=C([O-])CCC(=O)O 103570 [1,0,1,0,0,0|2,0,0]=4 138 B7R0.15 CCC(CC)C(=O)O 237870 [1,0,1,0,0,0|1,0,1]=4 139 B7R0.2 CCC(C)NC(C)=O 103813 [1,0,1,0,0,0|1,0,1]=4 140 B7R1.1 OCC1CCCN1 093752 [2,0,0,0,0,0|0,0,2]=4 141 B7R1.1 OC[C@@H]1CCCN1 M03445 [2,0,0,0,0,0|0,0,2]=4 142 B7R1.1 OC[C@H]1CCCN1 045535 [2,0,0,0,0,0|0,0,2]=4 143 B7R1.2 CC1CCC(=O)N1 232918 [2,0,0,0,0,0|0,0,1]=3 144 B7R1.2 CC1CCC(=O)O1 243089 [2,0,0,0,0,0|1,0,1]=4 145 B7R1.2 O=C1CCC(=O)C1 024257 [2,0,0,0,0,0|1,0,1]=4 146 B7R1.2 O=C1CCC(=O)N1 095806 [2,0,0,0,0,0|0,0,1]=3 147 B7R1.2 O=C1CCC(=O)O1 339548 [2,0,0,0,0,0|1,0,1]=4 148 B7R1.2 O=C1CNC(=O)N1 358212 [2,0,0,0,0,0|1,0,1]=4 149 B7R1.2 O=C1CSC(=O)N1 045213 [2,0,0,0,0,0|1,0,1]=4 150 B7R1.2 O=C1C[C@@H](O)CN1 047704 [2,0,0,0,0,0|2,0,0]=4 151 B7R1.2 O=C1C[C@H](O)CN1 093766 [2,0,0,0,0,0|2,0,0]=4 152 B9R0.7 CS(=O)CCC(N)C(=O)O 003117 [0,1,1,0,0,0|1,0,0]=3 153 B9R0.7 NC(=O)CCC(N)C(=O)O 093746 [0,1,1,0,0,0|0,0,0]=2 154 B9R0.7 NC(=O)CC[C@@H](N)C(=O)O M02933 [0,1,1,0,0,0|0,0,0]=2 155 B9R0.7 NC(=O)CC[C@H](N)C(=O)O M02960 [0,1,1,0,0,0|0,0,0]=2 156 B9R0.7 NC(=O)SC[C@H](N)C(=O)O 475323 [0,1,1,0,0,0|1,0,0]=3 157 B9R0.7 NC(CCC(=O)O)C(=O)O 223776 [0,1,1,0,0,0|0,0,0]=2 158 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O 103995 [0,1,1,0,0,0|0,0,0]=2 159 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O 226008 [0,1,1,0,0,0|0,0,0]=2 160 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O M02979 [0,1,1,0,0,0|0,0,0]=2 161 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O M03872 [0,1,1,0,0,0|0,0,0]=2 162 B9R0.7 N[C@@H](CCC(=O)[O-])C(=O)O 098770 [0,1,1,0,0,0|0,0,0]=2 163 B9R0.7 N[C@H](CCC(=O)O)C(=O)O 040145 [0,1,1,0,0,0|0,0,0]=2 164 B9R0.7 N[C@H](CCC(=O)O)C(=O)O M02964 [0,1,1,0,0,0|0,0,0]=2 165 B9R0.7 O=C(O)CCC(=O)C(=O)O 069250 [0,1,1,0,0,0|1,0,1]=4 166 B9R0.8 CCCCC(N)C(=O)OC 226410 [0,1,1,0,0,0|1,0,1]=4 167 B9R0.8 COC(=O)C(N)CCSC 003824 [0,1,1,0,0,0|2,0,0]=4 168 B9R0.47 NCCCC[C@H](N)C(=O)O 044909 [0,1,1,0,0,0|1,0,1]=4 169 B9R0.47 NCCCC[C@H](N)C(=O)O M03093 [0,1,1,0,0,0|1,0,1]=4 170 B9R0.24 COC(=O)CCC(=O)OC 094576 [0,1,1,0,0,0|2,0,0]=4 171 B9R0.24 COC(=O)CNC(=O)CN 324290 [0,1,1,0,0,0|1,0,0]=3 172 B9R0.48 CCOC(=O)CCC(=O)Cl 470799 [0,1,1,0,0,0|2,0,0]=4 173 B9R0.48 CCOC(=O)CCC(C)=O 094793 [0,1,1,0,0,0|2,0,0]=4 174 B9R0.48 CCOC(=O)CCC(N)=O 040133 [0,1,1,0,0,0|2,0,0]=4 175 B9R0.48 CCOC(=O)\C=C\C(=O)O 222100 [0,1,1,0,0,0|1,0,1]=4 176 B9R0.39 CC(=O)NC(CO)C(=O)O 237104 [0,1,1,0,0,0|1,0,0]=3 177 B9R0.39 CC(=O)N[C@@H](CS)C(=O)O 003631 [0,1,1,0,0,0|1,0,0]=3 178 B9R0.39 CC(=O)N[C@@H](CS)C(=O)O 104761 [0,1,1,0,0,0|1,0,0]=3 179 B9R0.11 CC(C)(CC(=O)O)C(=O)O 078872 [0,1,1,0,0,0|2,0,0]=4 180 B9R0.1 COC(=O)CCCC(=O)Cl 013638 [0,1,1,0,0,0|1,0,0]=3 181 B9R0.53 CC(CC(=O)O)CC(=O)O 011821 [0,1,1,0,0,0|1,0,0]=3 182 B9R0.53 CN(CC(=O)O)CC(=O)O 066640 [0,1,1,0,0,0|2,0,0]=4 183 B9R0.56 NS(=O)(=O)CCCC(=O)O 214918 [0,1,1,0,0,0|1,0,0]=3 184 B9R1.11 COC(=O)C1CC=CC1 078959 [1,1,0,0,0,0|1,0,1]=4 185 B9R1.11 COC(=O)C1CCCC1 067089 [1,1,0,0,0,0|1,0,1]=4 186 B9R1.11 COC(=O)C1CCCO1 241056 [1,1,0,0,0,0|1,0,1]=4 187 B9R1.11 COC(=O)C1NCCS1 019515 [1,1,0,0,0,0|1,0,1]=4 188 B9R1.11 COC(=O)[C@@H]1CCCN1 M02956 [1,1,0,0,0,0|0,0,1]=3 189 B9R1.11 COC(=O)[C@H]1CCCN1 M06057 [1,1,0,0,0,0|0,0,1]=3 190 B9R1.11 COC(=O)[C@H]1CCNC1 091945 [1,1,0,0,0,0|2,0,0]=4 191 B9R1.163 NC1(C(=O)O)CCCC1 044737 [1,1,0,0,0,0|1,0,1]=4 192 B9R1.163 O=C(O)C1(O)CCCC1 025042 [1,1,0,0,0,0|1,0,1]=4 193 B11R1.3 O=CN1CCC(C(=O)O)CC1 009958 [0,1,0,0,0,1|2,0,0]=4 194 B11R1.727 O=C(O)C1CCS(=O)(=O)CC1 066512 [0,1,0,0,0,1|2,0,0]=4 195 B11R1.645 O=C(O)CC1NC(=O)NC1=O 366659 [0,1,0,0,0,1|1,0,1]=4 196 B11R1.15 CCOC(=O)N1CCC(=O)C1 011711 [0,2,0,0,0,0|2,0,0]=4 197 B11R1.175 O=C(O)C1CCC(C(=O)O)C1 092832 [0,2,0,0,0,0|1,0,1]=4 198 B9R1.6 O=C(O)C1CC=CCC1 011329 [0,0,1,1,0,0|2,0,0]=4 199 B9R1.6 O=C(O)C1CCCCN1 024932 [0,0,1,1,0,0|1,0,1]=4 200 B9R1.6 O=C(O)C1CCCCN1 321687 [0,0,1,1,0,0|1,0,1]=4 201 B9R1.6 O=C(O)[C@@H]1CCCCN1 040065 [0,0,1,1,0,0|1,0,1]=4 202 B9R1.6 O=C(O)[C@H]1CCCCN1 034512 [0,0,1,1,0,0|1,0,1]=4 203 B9R1.69 NC1CCC(=O)NC1=O 078697 [0,0,1,1,0,0|1,0,0]=3 204 B9R2.39 O=C1N[C@H]2C=C[C@@H]1C2 364158 [1,0,0,1,0,0|1,0,0]=3 205 B9R2.39 [C@@H]12C=C[C@@H](C1)NC2=O 069189 [1,0,0,1,0,0|1,0,0]=3 206 B7R0.16 CC(=O)C(C)C(C)=O 520882 [0,0,1,0,1,0|1,0,0]=3 207 B7R0.16 CC(=O)C(Cl)C(C)=O 095830 [0,0,1,0,1,0|2,0,0]=4 208 B7R0.16 CC(=O)N(C)C(C)=O 069879 [0,0,1,0,1,0|2,0,0]=4 209 B7R0.16 CC(C(=O)O)C(=O)O 080319 [0,0,1,0,1,0|1,0,0]=3 210 B7R1.18 CC(=O)C1CCC1 513334 [1,0,0,0,1,0|1,0,1]=4 211 B7R1.18 NC(=O)C1CCC1 243268 [1,0,0,0,1,0|1,0,1]=4 212 B7R1.18 O=C(Cl)C1CCC1 009110 [1,0,0,0,1,0|1,0,1]=4 213 B7R1.18 O=C(O)C1CCC1 003366 [1,0,0,0,1,0|0,0,1]=3 214 B7R1.18 O=C(O)C1CCN1 047646 [1,0,0,0,1,0|0,0,0]=2 215 B7R1.18 O=C(O)C1CNC1 035210 [1,0,0,0,1,0|1,0,1]=4 216 B7R1.18 O=C(O)C1CNC1 040102 [1,0,0,0,1,0|1,0,1]=4 217 B9R0.55 CC(=O)NCCCC(=O)O 066622 [0,0,1,0,0,1|1,0,0]=3 218 B9R0.55 NC(=O)CCCCC(N)=O 101300 [0,0,1,0,0,1|1,0,0]=3 219 B9R0.55 O=C(Cl)CCCCC(=O)Cl 101400 [0,0,1,0,0,1|2,0,0]=4 220 B9R0.55 O=C(O)CCCCC(=O)O 005062 [0,0,1,0,0,1|1,0,0]=3 221 B9R0.55 O=C(O)CSSCC(=O)O 104477 [0,0,1,0,0,1|2,0,0]=4 222 B9R1.13 O=C(O)CC1CCCC1 236727 [1,0,0,0,0,1|1,0,1]=4 223 B9R1.13 O=C(O)C[C@@H]1CCNC1 301008 [1,0,0,0,0,1|2,0,0]=4 224 B11R1.20 CC(=O)NC1CCC(=O)CC1 040189 [0,0,0,0,0,2|2,0,0]=4