0 B5R0.5 CC(C)B(O)O AC-75312 [0,0,0,0,0,0|2,1,0]=3 1 B5R0.5 CC(S)C(=O)O AC-65008 [0,0,0,0,0,0|2,0,1]=3 2 B5R0.5 C[C@@H](N)C(N)=O AC-77271 [0,0,0,0,0,0|2,1,1]=4 3 B5R0.5 C[C@H](N)C(=O)O AC-77155 [0,0,0,0,0,0|2,1,1]=4 4 B5R0.5 C[C@H](N)C(N)=O AC-11061 [0,0,0,0,0,0|2,1,1]=4 5 B4R0.1 CCC(O)O AC-11575 [1,0,0,0,0,0|1,1,0]=3 6 B4R0.1 CCC(O)O AC-11576 [1,0,0,0,0,0|1,1,0]=3 7 B4R0.1 C[C@H](N)CN AC-75237 [1,0,0,0,0,0|2,0,0]=3 8 B4R0.1 C[C@H](N)CO AC-14576 [1,0,0,0,0,0|1,1,0]=3 9 B6R0.3 CCC(C)B(O)O AC-75313 [0,1,0,0,0,0|2,1,0]=4 10 B6R0.3 CN(C)C(=O)CN AC-80965 [0,1,0,0,0,0|1,1,1]=4 11 B6R0.3 COC(=O)C(C)N AC-10325 [0,1,0,0,0,0|1,1,1]=4 12 B6R0.3 COC(=O)[C@H](C)O AC-16717 [0,1,0,0,0,0|1,1,1]=4 13 B6R0.7 CC(C)(Br)C(=O)Br AC-33430 [0,1,0,0,0,0|1,1,1]=4 14 B6R0.7 CC(C)(Br)C(=O)O AC-13633 [0,1,0,0,0,0|1,1,1]=4 15 B6R0.7 CC(C)(N)C(=O)O AC-22698 [0,1,0,0,0,0|1,1,1]=4 16 B6R1.11 CC(N)C1CC1 AC-43331 [0,0,0,1,0,0|1,0,0]=2 17 B6R1.11 CC(N)C1CC1 AC-72240 [0,0,0,1,0,0|1,0,0]=2 18 B6R1.11 NC(=O)C1CC1 AC-35037 [0,0,0,1,0,0|1,1,1]=4 19 B6R1.11 O=C(O)C1CC1 AC-37568 [0,0,0,1,0,0|1,1,1]=4 20 B6R1.11 OB(O)C1CC1 AC-37891 [0,0,0,1,0,0|2,1,0]=4 21 B6R0.2 CC(C)CB(O)O AC-46050 [0,0,0,0,0,1|2,1,0]=4 22 B5R0.1 C[C@@H](N)CCO AC-68296 [1,1,0,0,0,0|1,0,0]=3 23 B5R0.3 CCC(N)CO AC-76788 [1,1,0,0,0,0|1,0,0]=3 24 B5R0.3 NCC(O)CO AC-15144 [1,1,0,0,0,0|1,1,0]=4 25 B5R0.3 NC[C@@H](O)CO AC-12808 [1,1,0,0,0,0|1,1,0]=4 26 B5R0.3 NC[C@H](O)CO AC-74173 [1,1,0,0,0,0|1,1,0]=4 27 B5R0.3 OC[C@@H](O)CCl AC-11570 [1,1,0,0,0,0|1,1,0]=4 28 B5R0.4 CC(C)(N)C#N AC-76966 [1,1,0,0,0,0|1,0,1]=4 29 B7R0.2 CC(C)C[C@@H](N)CO AC-43834 [0,1,0,0,0,1|1,0,0]=3 30 B7R0.2 CN(C)CC(O)CO AC-28373 [0,1,0,0,0,1|1,1,0]=4 31 B7R0.10 CCC(C)C(N)CO AC-57968 [0,2,0,0,0,0|1,0,0]=3 32 B7R0.13 CC(C)C(C)(N)C#N AC-76946 [0,2,0,0,0,0|1,0,0]=3 33 B7R0.14 COC(=O)C(C)(C)N AC-22699 [0,2,0,0,0,0|0,1,1]=4 34 B7R0.14 COC(=O)C(C)(C)O AC-15308 [0,2,0,0,0,0|0,1,1]=4 35 B5R1.2 BrC1CNC1 AC-70718 [1,0,0,1,0,0|2,0,0]=4 36 B5R1.2 CC1CNC1 AC-70645 [1,0,0,1,0,0|1,0,0]=3 37 B5R1.2 ClC1CNC1 AC-70638 [1,0,0,1,0,0|2,0,0]=4 38 B5R1.2 FC1CNC1 AC-39080 [1,0,0,1,0,0|2,0,0]=4 39 B5R1.2 NC1CCC1 AC-60987 [1,0,0,1,0,0|1,0,0]=3 40 B5R1.2 NC1CNC1 AC-39028 [1,0,0,1,0,0|2,0,0]=4 41 B5R1.2 NC1CNC1 AC-70603 [1,0,0,1,0,0|2,0,0]=4 42 B5R1.2 O=C1CSC1 AC-80488 [1,0,0,1,0,0|1,0,1]=4 43 B5R1.3 BrCC1CC1 AC-14412 [1,0,0,1,0,0|1,0,0]=3 44 B5R1.3 CNC1CC1 AC-37971 [1,0,0,1,0,0|1,0,0]=3 45 B5R1.3 ClCC1CC1 AC-37554 [1,0,0,1,0,0|1,0,0]=3 46 B5R1.3 N#CC1CC1 AC-10485 [1,0,0,1,0,0|1,0,1]=4 47 B5R1.3 NNC1CC1 AC-75900 [1,0,0,1,0,0|2,0,0]=4 48 B5R1.3 NNC1CC1 AC-75901 [1,0,0,1,0,0|2,0,0]=4 49 B5R1.3 NNC1CC1 AC-89330 [1,0,0,1,0,0|2,0,0]=4 50 B7R1.2 CN1CCC(N)C1 AC-41458 [0,0,0,1,0,1|2,0,0]=4 51 B7R1.2 CN1CCC(O)C1 AC-44686 [0,0,0,1,0,1|1,1,0]=4 52 B7R1.2 CN1CC[C@H](O)C1 AC-45770 [0,0,0,1,0,1|1,1,0]=4 53 B7R1.2 N[C@H]1CC[C@@H](O)C1 AC-79678 [0,0,0,1,0,1|1,1,0]=4 54 B7R1.2 N[C@H]1CC[C@@H](O)C1 AC-81200 [0,0,0,1,0,1|1,1,0]=4 55 B7R1.4 CC1CCNC1=O AC-80276 [0,1,0,1,0,0|0,1,1]=4 56 B7R1.4 CC1OCCC1=O AC-16100 [0,1,0,1,0,0|0,1,1]=4 57 B7R1.4 NC1CCCC1N AC-92921 [0,1,0,1,0,0|2,0,0]=4 58 B7R1.4 NC1CCCC1O AC-74003 [0,1,0,1,0,0|1,1,0]=4 59 B7R1.4 NC1CCCC1O AC-94382 [0,1,0,1,0,0|1,1,0]=4 60 B7R1.4 N[C@@H]1CCC[C@@H]1O AC-60181 [0,1,0,1,0,0|1,1,0]=4 61 B7R1.4 N[C@@H]1CCC[C@H]1O AC-80948 [0,1,0,1,0,0|1,1,0]=4 62 B7R1.4 N[C@H]1CCC[C@@H]1O AC-38019 [0,1,0,1,0,0|1,1,0]=4 63 B7R1.4 N[C@H]1CCC[C@H]1O AC-60111 [0,1,0,1,0,0|1,1,0]=4 64 B7R1.4 N[C@H]1COC[C@@H]1O AC-85740 [0,1,0,1,0,0|1,1,0]=4 65 B7R1.4 O[C@H]1CNC[C@@H]1O AC-63687 [0,1,0,1,0,0|1,1,0]=4 66 B7R1.18 CC(O)C1CCC1 AC-80542 [0,1,0,1,0,0|0,1,0]=3 67 B7R1.18 CN(C)C1CNC1 AC-39097 [0,1,0,1,0,0|2,0,0]=4 68 B7R1.18 CN(C)C1CNC1 AC-41377 [0,1,0,1,0,0|2,0,0]=4 69 B7R1.23 CC1(C)CC1C#N AC-15571 [0,1,0,1,0,0|1,0,0]=3 70 B7R1.23 FC1(F)CC1CBr AC-82966 [0,1,0,1,0,0|2,0,0]=4 71 B7R1.26 CC(C)(N)C1CC1 AC-44872 [0,1,0,1,0,0|1,0,0]=3 72 B7R1.26 CC(C)(O)C1CC1 AC-76380 [0,1,0,1,0,0|0,1,0]=3 73 B7R2.3 BrC1CC12CC2 AC-84808 [0,0,0,2,0,0|1,0,0]=3 74 B7R2.3 NC1CC12CC2 AC-93996 [0,0,0,2,0,0|1,0,0]=3