0 B6R0.2 CC(=O)\C=C(\C)[O-] AC-1042 [0,0,0,0,0,0|3,0,1]=4 1 B6R0.2 CC(=O)\C=C(\C)[O-] AC-24213 [0,0,0,0,0,0|3,0,1]=4 2 B6R0.2 CC(=O)\C=C(\C)[O-] AC-24214 [0,0,0,0,0,0|3,0,1]=4 3 B6R0.2 CC(=O)\C=C(\C)[O-] AC-24217 [0,0,0,0,0,0|3,0,1]=4 4 B6R0.2 CC(=O)\C=C(\C)[O-] AC-5526 [0,0,0,0,0,0|3,0,1]=4 5 B6R0.2 CC(=O)\C=C(\C)[O-] AC-5536 [0,0,0,0,0,0|3,0,1]=4 6 B6R0.2 CC(C)CB(O)O AC-24794 [0,0,0,0,0,0|3,0,1]=4 7 B6R0.2 CC(O)CC(=O)O AC-5701 [0,0,0,0,0,0|3,0,0]=3 8 B6R0.2 CN(C)CC(=O)O AC-30735 [0,0,0,0,0,0|1,0,0]=1 9 B6R0.2 C[C@@H](N)CC(=O)O AC-22067 [0,0,0,0,0,0|3,0,0]=3 10 B6R0.2 C[C@H](N)CC(=O)O AC-5698 [0,0,0,0,0,0|3,0,0]=3 11 B6R0.2 C[C@H](O)CC(=O)[O-] AC-13946 [0,0,0,0,0,0|3,0,0]=3 12 B5R0.1 C#CCC(=O)O AC-30551 [1,0,0,0,0,0|2,0,1]=4 13 B5R0.1 C(Cl)CC(=O)O AC-16131 [1,0,0,0,0,0|3,0,0]=4 14 B5R0.1 CCCC(N)=[NH2+] AC-3370 [1,0,0,0,0,0|2,0,0]=3 15 B5R0.1 COCC(=N)N AC-29357 [1,0,0,0,0,0|2,0,0]=3 16 B5R0.1 COC[C@@H](C)N AC-28410 [1,0,0,0,0,0|2,0,1]=4 17 B5R0.1 O=C(O)CCS AC-4722 [1,0,0,0,0,0|3,0,0]=4 18 B7R0.2 CC(C)C[C@@H](N)CO AC-24086 [0,1,0,0,0,0|1,0,2]=4 19 B7R0.2 CCC(C)CC(C)N AC-369 [0,1,0,0,0,0|2,0,1]=4 20 B7R0.2 CC[C@@H](N)CC(=O)O AC-9143 [0,1,0,0,0,0|3,0,0]=4 21 B7R0.2 CN(C)CC(=O)NN AC-29363 [0,1,0,0,0,0|0,0,0]=1 22 B7R0.2 COC(=O)C[C@@H](C)O AC-25565 [0,1,0,0,0,0|3,0,0]=4 23 B7R0.2 COC(=O)C[C@H](C)O AC-25566 [0,1,0,0,0,0|3,0,0]=4 24 B7R0.2 NC[C@@H](O)CC(=O)O AC-13943 [0,1,0,0,0,0|3,0,0]=4 25 B7R0.2 NC[C@H](O)CC(=O)O AC-13944 [0,1,0,0,0,0|3,0,0]=4 26 B7R0.2 N[C@@H](CO)CC(=O)O AC-22091 [0,1,0,0,0,0|3,0,0]=4 27 B7R0.2 N[C@H](CO)CC(=O)O AC-22092 [0,1,0,0,0,0|3,0,0]=4 28 B7R0.2 [C@@H](N)(CO)CC(C)C AC-1342 [0,1,0,0,0,0|1,0,2]=4 29 B7R0.9 CC(C)(C)NC(N)=S AC-2400 [0,1,0,0,0,0|2,1,0]=4 30 B7R0.9 CC(C)(O)CC(=O)[O-] AC-20085 [0,1,0,0,0,0|2,0,0]=3 31 B7R0.9 C[N+](C)(C)CC(=O)O AC-34957 [0,1,0,0,0,0|1,0,1]=3 32 B7R0.16 CC(C)C(N)C(=O)O AC-24062 [0,1,0,0,0,0|2,0,0]=3 33 B7R0.16 CC(C)[C@@H](Br)C(=O)O AC-23805 [0,1,0,0,0,0|2,0,0]=3 34 B7R0.16 CC(C)[C@@H](Br)C(=O)O AC-5643 [0,1,0,0,0,0|2,0,0]=3 35 B7R0.16 CC(C)[C@@H](N)C(=O)O AC-24061 [0,1,0,0,0,0|2,0,0]=3 36 B7R0.16 CN(C)C(=O)C(=O)O AC-29211 [0,1,0,0,0,0|1,0,1]=3 37 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O AC-10526 [0,1,0,0,0,0|3,0,0]=4 38 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O AC-11296 [0,1,0,0,0,0|3,0,0]=4 39 B7R0.16 C[C@H](N)[C@H](O)C(=O)O AC-9105 [0,1,0,0,0,0|3,0,0]=4 40 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O AC-24067 [0,1,0,0,0,0|3,0,0]=4 41 B7R0.16 C[C@H](O)[C@H](N)C(=O)O AC-22377 [0,1,0,0,0,0|3,0,0]=4 42 B7R1.2 CC1=CC(=O)NN1 AC-624 [0,0,0,1,0,0|2,0,1]=4 43 B7R1.2 CC1=NNC(=O)C1 AC-4810 [0,0,0,1,0,0|2,0,0]=3 44 B7R1.2 CN1C=CC(N)=N1 AC-061 [0,0,0,1,0,0|2,0,1]=4 45 B7R1.2 CN1CCC(=O)C1 AC-7086 [0,0,0,1,0,0|1,0,0]=2 46 B7R1.2 CN1CCC(O)C1 AC-6615 [0,0,0,1,0,0|1,0,2]=4 47 B7R1.2 CN1CC[C@@H](O)C1 AC-6781 [0,0,0,1,0,0|1,0,2]=4 48 B7R1.2 CN1CC[C@H](O)C1 AC-7092 [0,0,0,1,0,0|1,0,2]=4 49 B7R1.2 CN1N=NC(N)=N1 AC-1545 [0,0,0,1,0,0|3,0,0]=4 50 B7R1.2 C[C@H]1COC(=O)O1 AC-26820 [0,0,0,1,0,0|3,0,0]=4 51 B7R1.2 O=C1CCC(=O)C1 AC-1796 [0,0,0,1,0,0|3,0,0]=4 52 B7R1.2 O=C1C[C@@H](O)CO1 AC-13892 [0,0,0,1,0,0|3,0,0]=4 53 B7R1.2 O=C1C[C@H](O)CN1 AC-3373 [0,0,0,1,0,0|2,0,0]=3 54 B7R1.2 O=C1C[C@H](O)CO1 AC-13891 [0,0,0,1,0,0|3,0,0]=4 55 B7R1.12 CC1CC1C(=O)O AC-26542 [0,0,0,1,0,0|2,0,0]=3 56 B7R1.12 CC1CC1C(N)=O AC-31195 [0,0,0,1,0,0|1,0,0]=2 57 B7R1.12 O=C(O)C1CC1F AC-31184 [0,0,0,1,0,0|3,0,0]=4 58 B7R1.12 O=C(O)C1CC1S AC-6276 [0,0,0,1,0,0|3,0,0]=4 59 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F AC-31170 [0,0,0,1,0,0|3,0,0]=4 60 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F AC-31172 [0,0,0,1,0,0|3,0,0]=4 61 B7R1.12 O=C(O)[C@@H]1C[C@@H]1I AC-31167 [0,0,0,1,0,0|3,0,0]=4 62 B7R1.12 O=C(O)[C@@H]1C[C@H]1F AC-31173 [0,0,0,1,0,0|3,0,0]=4 63 B7R1.12 O=C(O)[C@H]1C[C@H]1F AC-31171 [0,0,0,1,0,0|3,0,0]=4 64 B7R1.12 O=C(O)[C@H]1C[C@H]1I AC-31163 [0,0,0,1,0,0|3,0,0]=4 65 B7R1.20 O=C(O)CC1CC1 AC-1476 [0,0,0,1,0,0|2,0,0]=3 66 B5R0.5 CC(=O)C(=O)[O-] AC-20029 [0,0,0,0,1,0|3,0,0]=4 67 B5R0.5 CC(Br)C(=O)O AC-190 [0,0,0,0,1,0|3,0,0]=4 68 B5R0.5 C[C@H](Br)C(=O)O AC-28136 [0,0,0,0,1,0|3,0,0]=4 69 B5R0.5 C[C@H](N)C(=O)O AC-014 [0,0,0,0,1,0|3,0,0]=4 70 B5R0.5 C[C@H](N)C(=O)O AC-24031 [0,0,0,0,1,0|3,0,0]=4 71 B5R0.5 C[C@H](N)C(N)=O AC-24033 [0,0,0,0,1,0|2,0,0]=3 72 B5R0.5 C[C@H](O)C(=O)[O-] AC-14439 [0,0,0,0,1,0|3,0,0]=4 73 B7R0.6 CC(=O)NCC(=O)O AC-24104 [0,0,0,0,0,1|3,0,0]=4 74 B4R0.1 CC(N)CN AC-22047 [2,0,0,0,0,0|1,0,1]=4 75 B4R0.1 CCC(=N)N AC-6582 [2,0,0,0,0,0|1,0,0]=3 76 B4R0.1 CSC(=N)N AC-16449 [2,0,0,0,0,0|2,0,0]=4 77 B4R0.1 C[C@@H](O)CN AC-7043 [2,0,0,0,0,0|2,0,0]=4 78 B4R0.1 NC(=O)NO AC-22674 [2,0,0,0,0,0|1,0,0]=3 79 B4R0.1 NCC(N)=O AC-7069 [2,0,0,0,0,0|0,0,0]=2 80 B4R0.2 CNCC#N AC-4442 [2,0,0,0,0,0|0,0,2]=4 81 B6R0.1 CC(CO)CCN AC-31753 [1,1,0,0,0,0|1,0,1]=4 82 B6R0.1 CCOC(=O)CN AC-24102 [1,1,0,0,0,0|2,0,0]=4 83 B6R0.1 CNCC(=O)OC AC-8684 [1,1,0,0,0,0|1,0,0]=3 84 B6R0.3 CC[C@@H](N)C(=O)O AC-1209 [1,1,0,0,0,0|2,0,0]=4 85 B6R0.3 CC[C@H](N)C(=O)O AC-23985 [1,1,0,0,0,0|2,0,0]=4 86 B6R0.3 CC[C@H](N)C(N)=O AC-23986 [1,1,0,0,0,0|1,0,0]=3 87 B6R0.3 CN[C@@H](C)C(C)=O AC-24164 [1,1,0,0,0,0|1,0,0]=3 88 B6R0.3 CN[C@H](C)C(=O)O AC-24129 [1,1,0,0,0,0|1,0,0]=3 89 B6R0.3 CO[C@H](C)C(=O)O AC-31869 [1,1,0,0,0,0|2,0,0]=4 90 B6R0.3 NC(=O)C(Br)CBr AC-19535 [1,1,0,0,0,0|2,0,0]=4 91 B6R0.3 NC(=O)[C@@H](N)CO AC-16681 [1,1,0,0,0,0|2,0,0]=4 92 B6R0.3 [C@H](N)(CC)C(=O)O AC-1817 [1,1,0,0,0,0|2,0,0]=4 93 B6R0.4 CN(C)CCCBr AC-25139 [1,1,0,0,0,0|1,0,1]=4 94 B6R0.4 CN(C)CCCBr AC-8952 [1,1,0,0,0,0|1,0,1]=4 95 B6R0.4 CN(C)CCCCl AC-360 [1,1,0,0,0,0|1,0,1]=4 96 B6R0.4 CN(C)CCCN AC-363 [1,1,0,0,0,0|0,0,1]=3 97 B6R0.4 CN(C)CCCO AC-359 [1,1,0,0,0,0|0,0,2]=4 98 B6R0.4 O=C(O)CCCBr AC-6279 [1,1,0,0,0,0|2,0,0]=4 99 B6R0.7 CC(C)(C)S(N)=O AC-6446 [0,1,0,0,1,0|2,0,0]=4 100 B6R0.7 CC(C)(C)[S@@](N)=O AC-4655 [0,1,0,0,1,0|2,0,0]=4 101 B6R0.7 CC(C)(C)[S@@](N)=O AC-763 [0,1,0,0,1,0|2,0,0]=4 102 B6R0.7 CC(C)(Cl)C(=O)O AC-5641 [0,1,0,0,1,0|2,0,0]=4 103 B6R0.7 CC(C)(N)C(=O)O AC-2694 [0,1,0,0,1,0|2,0,0]=4 104 B6R0.7 CN(C)S(N)(=O)=O AC-6948 [0,1,0,0,1,0|1,0,0]=3 105 B8R0.23 CC(C)CC(=O)C(=O)O AC-15579 [0,1,0,0,0,1|2,0,0]=4 106 B8R0.23 CC(C)CC(=O)C(=O)[O-] AC-1920 [0,1,0,0,0,1|2,0,0]=4 107 B8R0.23 CC(C)CC(N)C(=O)O AC-24099 [0,1,0,0,0,1|2,0,0]=4 108 B8R0.23 CC(C)C[C@@H](N)C(=O)O AC-8658 [0,1,0,0,0,1|2,0,0]=4 109 B8R0.23 CC(C)[C@H](N)CC(=O)O AC-22100 [0,1,0,0,0,1|2,0,0]=4 110 B8R0.23 CC(C)[C@H](N)CC(=O)O AC-27722 [0,1,0,0,0,1|2,0,0]=4 111 B8R0.23 CN(C)C(=N)NC(=N)N AC-2075 [0,1,0,0,0,1|1,0,1]=4 112 B8R0.23 CN(C)C(=N)NC(=N)N AC-32484 [0,1,0,0,0,1|1,0,1]=4 113 B8R0.29 CC(C)(C)NCC(=O)Cl AC-23122 [0,1,0,0,0,1|2,0,0]=4 114 B8R0.29 CC(C)(C)NCC(=O)O AC-22361 [0,1,0,0,0,1|2,0,0]=4 115 B8R0.2 CCC(C)C(N)C(=O)O AC-24098 [0,2,0,0,0,0|2,0,0]=4 116 B8R0.2 CC[C@@H](C)[C@@H](N)C(=O)O AC-22374 [0,2,0,0,0,0|2,0,0]=4 117 B8R0.2 CC[C@H](C)[C@@H](N)C(=O)O AC-22373 [0,2,0,0,0,0|2,0,0]=4 118 B8R0.2 CC[C@H](C)[C@H](N)C(=O)O AC-34995 [0,2,0,0,0,0|2,0,0]=4 119 B8R0.2 COC(=O)[C@@H](N)C(C)C AC-6863 [0,2,0,0,0,0|2,0,0]=4 120 B8R0.2 COC(=O)[C@H](N)C(C)C AC-22371 [0,2,0,0,0,0|2,0,0]=4 121 B8R0.2 COC(=O)[C@H](N)C(C)C AC-8672 [0,2,0,0,0,0|2,0,0]=4 122 B8R0.2 CO[C@@H](C)[C@H](N)C(=O)O AC-8666 [0,2,0,0,0,0|2,0,0]=4 123 B8R0.16 COC(CC(C)=O)OC AC-5732 [0,2,0,0,0,0|2,0,0]=4 124 B8R0.24 CC(C)(C)OC(=O)CN AC-8654 [0,2,0,0,0,0|2,0,0]=4 125 B8R0.27 CC(C)(C)C(N)C(=O)O AC-24097 [0,2,0,0,0,0|2,0,0]=4 126 B8R0.27 CC(C)(C)[C@@H](N)C(=O)O AC-24096 [0,2,0,0,0,0|2,0,0]=4 127 B8R0.27 CC(C)(C)[C@H](N)C(=O)O AC-1454 [0,2,0,0,0,0|2,0,0]=4 128 B8R0.27 CC(C)(C)[C@H](N)C(=O)O AC-4269 [0,2,0,0,0,0|2,0,0]=4 129 B8R0.27 [C@H](N)(C(=O)O)C(C)(C)O AC-049 [0,2,0,0,0,0|2,0,0]=4 130 B8R0.27 [C@H](N)(C(=O)O)C(C)(C)O AC-1524 [0,2,0,0,0,0|2,0,0]=4 131 B8R0.18 CN[C@H](C(=O)O)C(C)C AC-24053 [0,2,0,0,0,0|2,0,0]=4 132 B8R0.37 CC(C)C(C)(N)C(N)=O AC-1896 [0,2,0,0,0,0|1,0,0]=3 133 B8R0.37 CC(C)[C@@](C)(N)C(=O)O AC-4452 [0,2,0,0,0,0|2,0,0]=4 134 B8R0.37 CC(C)[C@](C)(N)C(=O)O AC-4453 [0,2,0,0,0,0|2,0,0]=4 135 B6R1.2 NC1=NCCC1 AC-23074 [1,0,0,1,0,0|2,0,0]=4 136 B6R1.2 NC1CCNC1 AC-13298 [1,0,0,1,0,0|1,0,1]=4 137 B6R1.2 NC1CCNC1 AC-28106 [1,0,0,1,0,0|1,0,1]=4 138 B6R1.2 N[C@@H]1CCNC1 AC-13107 [1,0,0,1,0,0|1,0,1]=4 139 B6R1.2 N[C@@H]1CCNC1 AC-3508 [1,0,0,1,0,0|1,0,1]=4 140 B6R1.2 N[C@H]1CCNC1 AC-6713 [1,0,0,1,0,0|1,0,1]=4 141 B6R1.2 O=C1CC=NN1 AC-11517 [1,0,0,1,0,0|2,0,0]=4 142 B6R1.2 O=C1CCNC1 AC-22609 [1,0,0,1,0,0|1,0,0]=3 143 B6R1.3 NCCC1CC1 AC-31186 [1,0,0,1,0,0|1,0,1]=4 144 B6R1.3 NCCN1CC1 AC-9518 [1,0,0,1,0,0|0,0,1]=3 145 B6R1.3 NOCC1CC1 AC-8536 [1,0,0,1,0,0|2,0,0]=4 146 B6R1.5 CN1CC(N)C1 AC-9132 [1,0,0,1,0,0|0,0,1]=3 147 B6R1.11 N=C(N)C1CC1 AC-5609 [1,0,0,1,0,0|2,0,0]=4 148 B6R1.11 NC(=O)C1CC1 AC-13088 [1,0,0,1,0,0|1,0,0]=3 149 B6R1.11 NC(=S)C1CC1 AC-29739 [1,0,0,1,0,0|1,1,0]=4 150 B6R1.11 O=C([O-])C1CO1 AC-30693 [1,0,0,1,0,0|2,0,0]=4 151 B6R1.11 O=C([O-])[C@@H]1CO1 AC-30695 [1,0,0,1,0,0|2,0,0]=4 152 B6R1.11 O=C([O-])[C@H]1CO1 AC-30694 [1,0,0,1,0,0|2,0,0]=4 153 B8R1.3 CC1=NNC(=O)CC1 AC-8382 [0,0,0,1,0,1|2,0,0]=4 154 B8R1.3 CN1CCC(=O)CC1 AC-15424 [0,0,0,1,0,1|1,0,0]=3 155 B8R1.3 CN1CCC(N)CC1 AC-7577 [0,0,0,1,0,1|1,0,1]=4 156 B8R1.77 CC1(C)CC1C(=O)O AC-13096 [0,0,0,1,0,1|2,0,0]=4 157 B8R1.77 CC1(C)CC1C(N)=O AC-6625 [0,0,0,1,0,1|1,0,0]=3 158 B8R1.77 CC1(C)C[C@@H]1C(=O)O AC-9861 [0,0,0,1,0,1|2,0,0]=4 159 B8R1.1 O=C1CC(CO)CN1 AC-25592 [0,1,0,1,0,0|1,0,0]=3 160 B8R1.1 O=C1C[C@H](CF)CO1 AC-30716 [0,1,0,1,0,0|2,0,0]=4 161 B8R1.4 CN1CCCC(N)C1 AC-25593 [0,1,0,1,0,0|1,0,1]=4 162 B8R1.4 CN1CCCC(N)C1 AC-3555 [0,1,0,1,0,0|1,0,1]=4 163 B8R1.4 CN1CCC[C@@H](N)C1 AC-29540 [0,1,0,1,0,0|1,0,1]=4 164 B8R1.4 CN1CCC[C@@H](N)C1 AC-30734 [0,1,0,1,0,0|1,0,1]=4 165 B8R1.4 CN1CCC[C@H](N)C1 AC-29541 [0,1,0,1,0,0|1,0,1]=4 166 B8R1.4 CN1CCNC(=O)C1 AC-25624 [0,1,0,1,0,0|0,0,0]=2 167 B8R1.4 C[C@H]1CN(C)CCN1 AC-30550 [0,1,0,1,0,0|1,0,1]=4 168 B8R1.4 NC1CCNC(=O)C1 AC-26388 [0,1,0,1,0,0|2,0,0]=4 169 B8R1.4 NC1CCNC(=O)C1 AC-5057 [0,1,0,1,0,0|2,0,0]=4 170 B8R1.4 O=C1CC(O)CCN1 AC-7497 [0,1,0,1,0,0|2,0,0]=4 171 B8R1.4 O=C1CCNC(=O)C1 AC-22759 [0,1,0,1,0,0|2,0,0]=4 172 B8R1.18 CC1=CC(N)=NN1C AC-28108 [0,1,0,1,0,0|2,0,0]=4 173 B8R1.18 CN1CC(=O)N=C1N AC-34371 [0,1,0,1,0,0|0,0,2]=4 174 B8R1.18 CN1CC(=O)NC1=O AC-34375 [0,1,0,1,0,0|0,0,1]=3 175 B8R1.18 NN1CC(=O)NC1=O AC-10014 [0,1,0,1,0,0|1,0,1]=4 176 B8R1.54 N[C@@H](C(=O)O)C1CC1 AC-5886 [0,1,0,1,0,0|2,0,0]=4 177 B8R1.54 N[C@H](C(=O)O)C1CC1 AC-3384 [0,1,0,1,0,0|2,0,0]=4 178 B8R0.28 CN(C)C\C=C\C(=O)O AC-358 [0,0,0,0,0,2|1,0,0]=3