0 B5R0.5 CC(=O)C(=O)[O-] AC-20029 [0,0,0,0,0,0|1,0,2]=3 1 B5R0.5 CC(Br)C(=O)O AC-190 [0,0,0,0,0,0|1,0,0]=1 2 B5R0.5 C[C@@H](O)[C@@H](C)O AC-26496 [0,0,0,0,0,0|2,0,1]=3 3 B5R0.5 C[C@H](Br)C(=O)O AC-28136 [0,0,0,0,0,0|1,0,0]=1 4 B5R0.5 C[C@H](N)C(=O)O AC-014 [0,0,0,0,0,0|0,0,0]=0 5 B5R0.5 C[C@H](N)C(=O)O AC-24031 [0,0,0,0,0,0|0,0,0]=0 6 B5R0.5 C[C@H](N)C(N)=O AC-24033 [0,0,0,0,0,0|1,0,0]=1 7 B5R0.5 C[C@H](O)C(=O)[O-] AC-14439 [0,0,0,0,0,0|1,0,1]=2 8 B5R0.5 C[C@H](O)[C@H](C)O AC-26495 [0,0,0,0,0,0|2,0,1]=3 9 B4R0.1 CC(N)CN AC-22047 [1,0,0,0,0,0|1,0,1]=3 10 B4R0.1 CC(N)CO AC-24046 [1,0,0,0,0,0|0,0,1]=2 11 B4R0.1 CCC(=N)N AC-6582 [1,0,0,0,0,0|2,0,0]=3 12 B4R0.1 CSC(=N)N AC-16449 [1,0,0,0,0,0|3,0,0]=4 13 B4R0.1 C[C@@H](N)CO AC-24153 [1,0,0,0,0,0|0,0,1]=2 14 B4R0.1 C[C@@H](O)CN AC-7043 [1,0,0,0,0,0|1,0,1]=3 15 B4R0.1 C[C@@H](O)CO AC-14032 [1,0,0,0,0,0|1,0,1]=3 16 B4R0.1 C[C@H](N)CO AC-1565 [1,0,0,0,0,0|0,0,1]=2 17 B4R0.1 C[C@H](N)CO AC-24154 [1,0,0,0,0,0|0,0,1]=2 18 B4R0.1 C[C@H](O)CO AC-14033 [1,0,0,0,0,0|1,0,1]=3 19 B4R0.1 NC(=O)NO AC-22674 [1,0,0,0,0,0|2,0,1]=4 20 B4R0.1 NCC(N)=O AC-7069 [1,0,0,0,0,0|1,0,0]=2 21 B6R0.3 C=C(I)[C@H](C)CI AC-31281 [0,1,0,0,0,0|3,0,0]=4 22 B6R0.3 C=C[C@H](N)C(=O)O AC-22586 [0,1,0,0,0,0|0,0,1]=2 23 B6R0.3 CC(C)C(=O)NN AC-1522 [0,1,0,0,0,0|2,0,0]=3 24 B6R0.3 CC(C)[C@@H](N)CO AC-13953 [0,1,0,0,0,0|2,0,1]=4 25 B6R0.3 CC(C)[C@H](N)CO AC-057 [0,1,0,0,0,0|2,0,1]=4 26 B6R0.3 CC(C)[C@H](N)CO AC-13725 [0,1,0,0,0,0|2,0,1]=4 27 B6R0.3 CCC(=O)C(=O)O AC-37023 [0,1,0,0,0,0|1,0,1]=3 28 B6R0.3 CCC(=O)C(=O)[O-] AC-37022 [0,1,0,0,0,0|1,0,2]=4 29 B6R0.3 CC[C@@H](N)C(=O)O AC-1209 [0,1,0,0,0,0|0,0,0]=1 30 B6R0.3 CC[C@H](N)C(=O)O AC-23985 [0,1,0,0,0,0|0,0,0]=1 31 B6R0.3 CC[C@H](N)C(N)=O AC-23986 [0,1,0,0,0,0|1,0,0]=2 32 B6R0.3 CN[C@@H](C)C(C)=O AC-24164 [0,1,0,0,0,0|1,0,0]=2 33 B6R0.3 CN[C@H](C)C(=O)O AC-24129 [0,1,0,0,0,0|0,0,0]=1 34 B6R0.3 COC(=O)[C@@H](C)N AC-8640 [0,1,0,0,0,0|0,0,0]=1 35 B6R0.3 COC(=O)[C@H](C)N AC-36702 [0,1,0,0,0,0|0,0,0]=1 36 B6R0.3 CO[C@H](C)C(=O)O AC-31869 [0,1,0,0,0,0|1,0,0]=2 37 B6R0.3 C[C@H](CO)C(=O)O AC-9519 [0,1,0,0,0,0|1,0,0]=2 38 B6R0.3 C\C=C(\C)C(=O)O AC-30733 [0,1,0,0,0,0|1,0,1]=3 39 B6R0.3 NC(=O)C(Br)CBr AC-19535 [0,1,0,0,0,0|2,0,0]=3 40 B6R0.3 NC(=O)[C@@H](N)CO AC-16681 [0,1,0,0,0,0|1,0,0]=2 41 B6R0.3 NC(CO)C(=O)O AC-24074 [0,1,0,0,0,0|0,0,0]=1 42 B6R0.3 NCC(N)C(=O)O AC-22379 [0,1,0,0,0,0|0,0,0]=1 43 B6R0.3 NCC(N)C(=O)O AC-5659 [0,1,0,0,0,0|0,0,0]=1 44 B6R0.3 NC[C@@H](N)C(=O)O AC-5660 [0,1,0,0,0,0|0,0,0]=1 45 B6R0.3 NC[C@H](N)C(=O)O AC-5654 [0,1,0,0,0,0|0,0,0]=1 46 B6R0.3 N[C@@H](CCl)C(=O)O AC-22368 [0,1,0,0,0,0|0,0,0]=1 47 B6R0.3 N[C@@H](CCl)C(=O)O AC-8102 [0,1,0,0,0,0|0,0,0]=1 48 B6R0.3 N[C@@H](CS)C(=O)O AC-12796 [0,1,0,0,0,0|0,0,0]=1 49 B6R0.3 N[C@H](CO)C(=O)O AC-24073 [0,1,0,0,0,0|0,0,0]=1 50 B6R0.3 N[C@H](CS)C(=O)O AC-7470 [0,1,0,0,0,0|0,0,0]=1 51 B6R0.3 N[C@H](CS)C(=O)O AC-7471 [0,1,0,0,0,0|0,0,0]=1 52 B6R0.3 OC(=O)[C@H](CO)N AC-1190 [0,1,0,0,0,0|0,0,0]=1 53 B6R0.3 [C@H](N)(CC)C(=O)O AC-1817 [0,1,0,0,0,0|0,0,0]=1 54 B6R0.7 CC(C)(C)S(N)=O AC-6446 [0,1,0,0,0,0|3,0,0]=4 55 B6R0.7 CC(C)(C)[S@@](N)=O AC-4655 [0,1,0,0,0,0|3,0,0]=4 56 B6R0.7 CC(C)(C)[S@@](N)=O AC-763 [0,1,0,0,0,0|3,0,0]=4 57 B6R0.7 CC(C)(Cl)C(=O)O AC-5641 [0,1,0,0,0,0|1,0,0]=2 58 B6R0.7 CC(C)(N)C(=O)O AC-2694 [0,1,0,0,0,0|0,0,0]=1 59 B6R0.7 C[C@@H](N)C(F)(F)F AC-25829 [0,1,0,0,0,0|2,0,1]=4 60 B6R0.7 C[C@H](N)C(F)(F)F AC-30074 [0,1,0,0,0,0|2,0,1]=4 61 B6R0.7 O=C([O-])C(F)(F)Cl AC-743 [0,1,0,0,0,0|2,0,1]=4 62 B6R1.11 N=C(N)C1CC1 AC-5609 [0,0,0,1,0,0|3,0,0]=4 63 B6R1.11 NC(=O)C1CC1 AC-13088 [0,0,0,1,0,0|2,0,0]=3 64 B6R1.11 NC(=S)C1CC1 AC-29739 [0,0,0,1,0,0|2,1,0]=4 65 B6R1.11 O=C([O-])C1CO1 AC-30693 [0,0,0,1,0,0|1,0,1]=3 66 B6R1.11 O=C([O-])[C@@H]1CO1 AC-30695 [0,0,0,1,0,0|1,0,1]=3 67 B6R1.11 O=C([O-])[C@H]1CO1 AC-30694 [0,0,0,1,0,0|1,0,1]=3 68 B6R1.11 OB(O)C1CC1 AC-6414 [0,0,0,1,0,0|2,0,1]=4 69 B6R0.2 CC(=O)\C=C(\C)[O-] AC-1042 [0,0,0,0,0,1|2,0,1]=4 70 B6R0.2 CC(=O)\C=C(\C)[O-] AC-24213 [0,0,0,0,0,1|2,0,1]=4 71 B6R0.2 CC(=O)\C=C(\C)[O-] AC-24214 [0,0,0,0,0,1|2,0,1]=4 72 B6R0.2 CC(=O)\C=C(\C)[O-] AC-24217 [0,0,0,0,0,1|2,0,1]=4 73 B6R0.2 CC(=O)\C=C(\C)[O-] AC-5526 [0,0,0,0,0,1|2,0,1]=4 74 B6R0.2 CC(=O)\C=C(\C)[O-] AC-5536 [0,0,0,0,0,1|2,0,1]=4 75 B6R0.2 CC(C)CB(O)O AC-24794 [0,0,0,0,0,1|2,0,1]=4 76 B6R0.2 CC(O)CC(=O)O AC-5701 [0,0,0,0,0,1|1,0,0]=2 77 B6R0.2 CN(C)CC(=O)O AC-30735 [0,0,0,0,0,1|2,0,0]=3 78 B6R0.2 C[C@@H](N)CC(=O)O AC-22067 [0,0,0,0,0,1|0,0,0]=1 79 B6R0.2 C[C@H](N)CC(=O)O AC-5698 [0,0,0,0,0,1|0,0,0]=1 80 B6R0.2 C[C@H](O)CC(=O)[O-] AC-13946 [0,0,0,0,0,1|1,0,1]=3 81 B3R0.1 NCCCl AC-22675 [2,0,0,0,0,0|1,0,1]=4 82 B3R0.1 NCCN AC-18109 [2,0,0,0,0,0|1,0,1]=4 83 B3R0.1 NCCS AC-301 [2,0,0,0,0,0|0,1,1]=4 84 B3R0.2 CC(=N)N AC-22530 [2,0,0,0,0,0|1,0,1]=4 85 B3R0.2 CC(=O)O AC-19080 [2,0,0,0,0,0|0,0,0]=2 86 B3R0.2 CC(=O)[O-] AC-18132 [2,0,0,0,0,0|0,0,1]=3 87 B3R0.2 CC(=O)[O-] AC-677 [2,0,0,0,0,0|0,0,1]=3 88 B3R0.2 CS(=O)[O-] AC-1087 [2,0,0,0,0,0|1,0,1]=4 89 B3R0.2 N=C(N)N AC-13711 [2,0,0,0,0,0|2,0,0]=4 90 B5R0.1 C#CCC(=O)O AC-30551 [1,1,0,0,0,0|0,0,1]=3 91 B5R0.1 C(Cl)CC(=O)O AC-16131 [1,1,0,0,0,0|0,0,0]=2 92 B5R0.1 CCCC(N)=[NH2+] AC-3370 [1,1,0,0,0,0|2,0,0]=4 93 B5R0.1 COCC(=N)N AC-29357 [1,1,0,0,0,0|2,0,0]=4 94 B5R0.1 COC[C@@H](C)N AC-28410 [1,1,0,0,0,0|0,0,1]=3 95 B5R0.1 C[C@@H](O)CCO AC-5640 [1,1,0,0,0,0|1,0,1]=4 96 B5R0.1 O=C(O)CCS AC-4722 [1,1,0,0,0,0|0,0,0]=2 97 B5R0.3 C(=O)C(=O)OC AC-591 [1,1,0,0,0,0|1,0,1]=4 98 B5R0.3 C=C[C@@H](N)CO AC-30956 [1,1,0,0,0,0|1,0,0]=3 99 B5R0.3 COC(=O)CF AC-590 [1,1,0,0,0,0|1,0,0]=3 100 B5R0.3 COC(=O)CN AC-19215 [1,1,0,0,0,0|0,0,0]=2 101 B5R0.3 NC(CO)CO AC-13723 [1,1,0,0,0,0|0,0,1]=3 102 B5R0.3 NCC(O)CN AC-3376 [1,1,0,0,0,0|1,0,1]=4 103 B5R0.3 NCC(O)CO AC-23129 [1,1,0,0,0,0|0,0,2]=4 104 B5R0.3 NC[C@@H](O)CO AC-7033 [1,1,0,0,0,0|0,0,2]=4 105 B5R0.3 NC[C@H](O)CCl AC-26415 [1,1,0,0,0,0|1,0,1]=4 106 B5R0.3 NC[C@H](O)CO AC-13922 [1,1,0,0,0,0|0,0,2]=4 107 B5R0.3 NC[C@H](O)CO AC-7162 [1,1,0,0,0,0|0,0,2]=4 108 B5R0.3 OC[C@@H](O)CCl AC-7038 [1,1,0,0,0,0|1,0,1]=4 109 B5R0.3 OC[C@H](O)CCl AC-7037 [1,1,0,0,0,0|1,0,1]=4 110 B5R0.4 CC(C)(O)CN AC-25613 [1,1,0,0,0,0|1,0,1]=4 111 B5R0.4 CC[PH](N)(=O)=O AC-8947 [1,1,0,0,0,0|1,0,1]=4 112 B5R0.4 NCS(=O)(=O)O AC-9853 [1,1,0,0,0,0|1,0,0]=3 113 B5R0.4 NOS(=O)(=O)O AC-4443 [1,1,0,0,0,0|2,0,0]=4 114 B7R0.2 CC[C@@H](N)CC(=O)O AC-9143 [0,1,0,0,0,1|0,0,0]=2 115 B7R0.2 COC(=O)C[C@@H](C)O AC-25565 [0,1,0,0,0,1|1,0,0]=3 116 B7R0.2 COC(=O)C[C@H](C)O AC-25566 [0,1,0,0,0,1|1,0,0]=3 117 B7R0.2 NC[C@@H](O)CC(=O)O AC-13943 [0,1,0,0,0,1|1,0,0]=3 118 B7R0.2 NC[C@H](O)CC(=O)O AC-13944 [0,1,0,0,0,1|1,0,0]=3 119 B7R0.2 N[C@@H](CO)CC(=O)O AC-22091 [0,1,0,0,0,1|0,0,0]=2 120 B7R0.2 N[C@H](CO)CC(=O)O AC-22092 [0,1,0,0,0,1|0,0,0]=2 121 B7R0.9 CC(C)(O)CC(=O)[O-] AC-20085 [0,1,0,0,0,1|1,0,1]=4 122 B7R0.9 C[N+](C)(C)CC(=O)O AC-34957 [0,1,0,0,0,1|2,0,0]=4 123 B7R0.16 CC(C)C(N)C(=O)O AC-24062 [0,1,0,0,0,1|1,0,0]=3 124 B7R0.16 CC(C)[C@@H](Br)C(=O)O AC-23805 [0,1,0,0,0,1|1,0,0]=3 125 B7R0.16 CC(C)[C@@H](Br)C(=O)O AC-5643 [0,1,0,0,0,1|1,0,0]=3 126 B7R0.16 CC(C)[C@@H](N)C(=O)O AC-24061 [0,1,0,0,0,1|1,0,0]=3 127 B7R0.16 CN(C)C(=O)C(=O)O AC-29211 [0,1,0,0,0,1|2,0,0]=4 128 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O AC-10526 [0,1,0,0,0,1|1,0,0]=3 129 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O AC-11296 [0,1,0,0,0,1|1,0,0]=3 130 B7R0.16 C[C@H](N)[C@H](O)C(=O)O AC-9105 [0,1,0,0,0,1|0,0,0]=2 131 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O AC-24067 [0,1,0,0,0,1|1,0,0]=3 132 B7R0.16 C[C@H](O)[C@H](N)C(=O)O AC-22377 [0,1,0,0,0,1|1,0,0]=3 133 B7R0.5 C#CCC(N)C(=O)O AC-9946 [0,2,0,0,0,0|0,0,0]=2 134 B7R0.5 C#CC[C@@H](N)C(=O)O AC-7947 [0,2,0,0,0,0|0,0,0]=2 135 B7R0.5 C#CC[C@H](N)C(=O)O AC-9947 [0,2,0,0,0,0|0,0,0]=2 136 B7R0.5 C=CC[C@@H](N)C(=O)O AC-25008 [0,2,0,0,0,0|0,0,0]=2 137 B7R0.5 C=CC[C@@H](N)C(=O)O AC-4462 [0,2,0,0,0,0|0,0,0]=2 138 B7R0.5 CCCC(N)C(=O)O AC-24060 [0,2,0,0,0,0|0,0,0]=2 139 B7R0.5 CCC[C@@H](N)C(=O)O AC-24059 [0,2,0,0,0,0|0,0,0]=2 140 B7R0.5 CCC[C@H](N)C(=O)O AC-31149 [0,2,0,0,0,0|0,0,0]=2 141 B7R0.5 CCOC(=O)C(N)=S AC-7151 [0,2,0,0,0,0|1,0,1]=4 142 B7R0.5 COCC(Cl)C(=O)O AC-2410 [0,2,0,0,0,0|1,0,0]=3 143 B7R0.5 COCC(N)C(=O)O AC-26598 [0,2,0,0,0,0|0,0,0]=2 144 B7R0.5 COC[C@@H](N)C(=O)O AC-1108 [0,2,0,0,0,0|0,0,0]=2 145 B7R0.5 COC[C@@H](N)C(=O)O AC-25779 [0,2,0,0,0,0|0,0,0]=2 146 B7R0.5 COC[C@H](N)C(=O)O AC-1107 [0,2,0,0,0,0|0,0,0]=2 147 B7R0.5 COC[C@H](N)C(=O)O AC-25783 [0,2,0,0,0,0|0,0,0]=2 148 B7R0.5 NC(CCO)C(=O)O AC-5670 [0,2,0,0,0,0|0,0,0]=2 149 B7R0.5 NCCC(N)C(=O)O AC-23758 [0,2,0,0,0,0|0,0,0]=2 150 B7R0.5 NCCC(O)C(=O)O AC-2929 [0,2,0,0,0,0|1,0,0]=3 151 B7R0.5 NCC[C@@H](N)C(=O)O AC-23757 [0,2,0,0,0,0|0,0,0]=2 152 B7R0.5 NCC[C@@H](N)C(=O)O AC-5661 [0,2,0,0,0,0|0,0,0]=2 153 B7R0.5 NCC[C@H](N)C(=O)O AC-5662 [0,2,0,0,0,0|0,0,0]=2 154 B7R0.5 NCC[C@H](O)C(=O)O AC-1318 [0,2,0,0,0,0|1,0,0]=3 155 B7R0.5 N[C@@H](CCBr)C(=O)O AC-5638 [0,2,0,0,0,0|0,0,0]=2 156 B7R0.5 N[C@@H](CCO)C(=O)O AC-5665 [0,2,0,0,0,0|0,0,0]=2 157 B7R0.5 N[C@H](CCO)C(=O)O AC-5666 [0,2,0,0,0,0|0,0,0]=2 158 B7R0.5 [C@@H](N)(CC=C)C(=O)O AC-877 [0,2,0,0,0,0|0,0,0]=2 159 B7R0.5 [C@H](N)(CC=C)C(=O)O AC-9624 [0,2,0,0,0,0|0,0,0]=2 160 B7R0.10 COC(=O)C(N)CO AC-24068 [0,2,0,0,0,0|0,0,0]=2 161 B7R0.10 COC(=O)C(O)CO AC-33823 [0,2,0,0,0,0|1,0,0]=3 162 B7R0.10 COC(=O)[C@@H](C)CO AC-31279 [0,2,0,0,0,0|1,0,0]=3 163 B7R0.10 COC(=O)[C@@H](N)CS AC-8650 [0,2,0,0,0,0|0,0,0]=2 164 B7R0.10 COC(=O)[C@@H](O)CO AC-33821 [0,2,0,0,0,0|1,0,0]=3 165 B7R0.10 COC(=O)[C@H](C)CO AC-31278 [0,2,0,0,0,0|1,0,0]=3 166 B7R0.10 COC(=O)[C@H](N)CCl AC-26976 [0,2,0,0,0,0|0,0,0]=2 167 B7R0.10 COC(=O)[C@H](N)CO AC-22365 [0,2,0,0,0,0|0,0,0]=2 168 B7R0.10 COC(=O)[C@H](N)CO AC-22366 [0,2,0,0,0,0|0,0,0]=2 169 B7R0.10 COC(=O)[C@H](O)CO AC-33822 [0,2,0,0,0,0|1,0,0]=3 170 B7R0.13 CC(=O)C(C)(C)CO AC-30558 [0,2,0,0,0,0|2,0,0]=4 171 B7R0.13 CC(C)(CN)C(N)=O AC-8492 [0,2,0,0,0,0|1,0,0]=3 172 B7R0.13 CC(C)(CO)C(=O)O AC-29208 [0,2,0,0,0,0|1,0,0]=3 173 B7R0.13 CC(C)(ON)C(=O)O AC-5592 [0,2,0,0,0,0|0,0,0]=2 174 B7R0.13 CC[C@@](C)(N)C(=O)O AC-4457 [0,2,0,0,0,0|0,0,0]=2 175 B7R0.13 CC[C@](C)(N)C(=O)O AC-4458 [0,2,0,0,0,0|0,0,0]=2 176 B7R0.13 C[C@@](N)(CO)C(=O)O AC-3443 [0,2,0,0,0,0|0,0,0]=2 177 B7R0.13 C[C@](N)(CO)C(=O)O AC-2370 [0,2,0,0,0,0|0,0,0]=2 178 B7R0.14 CC(C)(C)C(=O)CN AC-3546 [0,2,0,0,0,0|2,0,0]=4 179 B7R0.14 CC(C)(C)C(=O)CN AC-4641 [0,2,0,0,0,0|2,0,0]=4 180 B7R0.14 COC(=O)C(C)(C)N AC-6771 [0,2,0,0,0,0|0,0,0]=2 181 B7R0.15 CC[C@H](CO)C(=O)O AC-9520 [0,2,0,0,0,0|1,0,0]=3 182 B5R1.2 NC1CNC1 AC-24374 [1,0,0,1,0,0|1,0,1]=4 183 B5R1.2 O=C1CSC1 AC-33700 [1,0,0,1,0,0|2,0,0]=4 184 B5R1.2 OC1CNC1 AC-092 [1,0,0,1,0,0|1,0,1]=4 185 B5R1.2 OC1CNC1 AC-868 [1,0,0,1,0,0|1,0,1]=4 186 B5R1.3 OC[C@@H]1CO1 AC-7042 [1,0,0,1,0,0|1,0,1]=4 187 B5R1.3 OC[C@H]1CO1 AC-7041 [1,0,0,1,0,0|1,0,1]=4 188 B5R1.5 CC1(N)CC1 AC-29471 [1,0,0,1,0,0|1,0,1]=4 189 B7R1.2 CC1=CC(=O)NN1 AC-624 [0,0,0,1,0,1|1,0,1]=4 190 B7R1.2 C[C@H]1COC(=O)O1 AC-26820 [0,0,0,1,0,1|1,0,0]=3 191 B7R1.2 NC1CCC(O)C1 AC-33552 [0,0,0,1,0,1|1,0,1]=4 192 B7R1.2 N[C@H]1CC[C@@H](O)C1 AC-30659 [0,0,0,1,0,1|1,0,1]=4 193 B7R1.2 N[C@H]1CC[C@@H](O)C1 AC-31322 [0,0,0,1,0,1|1,0,1]=4 194 B7R1.2 O=C1C[C@@H](O)CO1 AC-13892 [0,0,0,1,0,1|1,0,0]=3 195 B7R1.2 O=C1C[C@H](O)CN1 AC-3373 [0,0,0,1,0,1|2,0,0]=4 196 B7R1.2 O=C1C[C@H](O)CO1 AC-13891 [0,0,0,1,0,1|1,0,0]=3 197 B7R1.12 CC1CC1C(=O)O AC-26542 [0,0,0,1,0,1|1,0,0]=3 198 B7R1.12 CC1CC1C(N)=O AC-31195 [0,0,0,1,0,1|2,0,0]=4 199 B7R1.12 O=C(O)C1CC1F AC-31184 [0,0,0,1,0,1|1,0,0]=3 200 B7R1.12 O=C(O)C1CC1S AC-6276 [0,0,0,1,0,1|1,0,0]=3 201 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F AC-31170 [0,0,0,1,0,1|1,0,0]=3 202 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F AC-31172 [0,0,0,1,0,1|1,0,0]=3 203 B7R1.12 O=C(O)[C@@H]1C[C@@H]1I AC-31167 [0,0,0,1,0,1|1,0,0]=3 204 B7R1.12 O=C(O)[C@@H]1C[C@H]1F AC-31173 [0,0,0,1,0,1|1,0,0]=3 205 B7R1.12 O=C(O)[C@H]1C[C@H]1F AC-31171 [0,0,0,1,0,1|1,0,0]=3 206 B7R1.12 O=C(O)[C@H]1C[C@H]1I AC-31163 [0,0,0,1,0,1|1,0,0]=3 207 B7R1.20 O=C(O)CC1CC1 AC-1476 [0,0,0,1,0,1|1,0,0]=3 208 B7R1.4 CC1OCCC1=O AC-8268 [0,1,0,1,0,0|2,0,0]=4 209 B7R1.4 NC1CCNC1=O AC-29504 [0,1,0,1,0,0|1,0,0]=3 210 B7R1.4 NC1CCSC1=O AC-31997 [0,1,0,1,0,0|0,1,0]=3 211 B7R1.4 NN1CCOC1=O AC-33916 [0,1,0,1,0,0|1,0,0]=3 212 B7R1.4 N[C@@H]1CCC[C@H]1O AC-973 [0,1,0,1,0,0|1,0,1]=4 213 B7R1.4 N[C@@H]1CCNC1=O AC-24599 [0,1,0,1,0,0|1,0,0]=3 214 B7R1.4 N[C@@H]1CCNC1=O AC-29229 [0,1,0,1,0,0|1,0,0]=3 215 B7R1.4 N[C@@H]1CCOC1=O AC-23765 [0,1,0,1,0,0|0,0,0]=2 216 B7R1.4 N[C@@H]1CONC1=O AC-4721 [0,1,0,1,0,0|0,0,0]=2 217 B7R1.4 N[C@H]1CCC[C@@H]1O AC-7071 [0,1,0,1,0,0|1,0,1]=4 218 B7R1.4 N[C@H]1CCC[C@H]1O AC-7072 [0,1,0,1,0,0|1,0,1]=4 219 B7R1.4 N[C@H]1CCOC1=O AC-5669 [0,1,0,1,0,0|0,0,0]=2 220 B7R1.4 O=C1CCCC1Br AC-22966 [0,1,0,1,0,0|2,0,0]=4 221 B7R1.4 O=C1NCC[C@@H]1O AC-24360 [0,1,0,1,0,0|2,0,0]=4 222 B7R1.4 O=C1OCCC1Br AC-18401 [0,1,0,1,0,0|1,0,0]=3 223 B7R1.18 NC(=O)C1CCC1 AC-29431 [0,1,0,1,0,0|2,0,0]=4 224 B7R1.18 O=C(O)C1CCC1 AC-27351 [0,1,0,1,0,0|1,0,0]=3 225 B7R1.18 O=C(O)C1CCN1 AC-23205 [0,1,0,1,0,0|0,0,0]=2 226 B7R1.18 O=C(O)C1CCN1 AC-23581 [0,1,0,1,0,0|0,0,0]=2 227 B7R1.18 O=C(O)C1CCN1 AC-5888 [0,1,0,1,0,0|0,0,0]=2 228 B7R1.18 O=C(O)C1CCO1 AC-28801 [0,1,0,1,0,0|1,0,0]=3 229 B7R1.18 O=C(O)C1CNC1 AC-5893 [0,1,0,1,0,0|0,0,0]=2 230 B7R1.18 O=C(O)[C@@H]1CCN1 AC-5699 [0,1,0,1,0,0|0,0,0]=2 231 B7R1.19 CC1(C(=O)O)CC1 AC-5063 [0,1,0,1,0,0|1,0,0]=3 232 B7R1.19 CC1(C(N)=O)CC1 AC-30447 [0,1,0,1,0,0|2,0,0]=4 233 B7R1.19 NC1(C(=O)O)CC1 AC-1835 [0,1,0,1,0,0|0,0,0]=2 234 B7R1.19 NC1(C(=O)O)CC1 AC-2698 [0,1,0,1,0,0|0,0,0]=2 235 B7R1.19 O=C(O)C1(Br)CC1 AC-29641 [0,1,0,1,0,0|1,0,0]=3 236 B7R1.19 O=C(O)C1(F)CC1 AC-31160 [0,1,0,1,0,0|1,0,0]=3 237 B7R1.19 O=C(O)C1(O)CC1 AC-497 [0,1,0,1,0,0|1,0,0]=3 238 B7R1.22 N\C(=N/O)C1CC1 AC-4645 [0,1,0,1,0,0|2,0,0]=4 239 B7R0.6 CC(=O)NCC(=O)O AC-24104 [0,0,0,0,0,2|1,0,1]=4