0 B5R0.5 CC(C)B(O)O AC-75312 [0,0,0,0,0,0|2,0,1]=3 1 B5R0.5 CC(S)C(=O)O AC-65008 [0,0,0,0,0,0|0,1,0]=1 2 B5R0.5 C[C@@H](N)C(N)=O AC-77271 [0,0,0,0,0,0|2,0,0]=2 3 B5R0.5 C[C@H](N)C(=O)O AC-77155 [0,0,0,0,0,0|1,0,0]=1 4 B5R0.5 C[C@H](N)C(N)=O AC-11061 [0,0,0,0,0,0|2,0,0]=2 5 B5R0.5 O=C(O)C(F)F AC-18400 [0,0,0,0,0,0|2,0,0]=2 6 B4R0.1 CC(=O)NN AC-24092 [1,0,0,0,0,0|3,0,0]=4 7 B4R0.1 CC(=O)NO AC-13161 [1,0,0,0,0,0|2,0,0]=3 8 B4R0.1 CCC(O)O AC-11575 [1,0,0,0,0,0|0,0,2]=3 9 B4R0.1 CCC(O)O AC-11576 [1,0,0,0,0,0|0,0,2]=3 10 B4R0.1 CNC(N)=S AC-31942 [1,0,0,0,0,0|2,1,0]=4 11 B4R0.1 C[C@H](N)CN AC-75237 [1,0,0,0,0,0|2,0,1]=4 12 B4R0.1 C[C@H](N)CO AC-14576 [1,0,0,0,0,0|1,0,1]=3 13 B4R0.1 NC(=O)CBr AC-13350 [1,0,0,0,0,0|2,0,0]=3 14 B4R0.1 NCC(N)=O AC-16143 [1,0,0,0,0,0|2,0,0]=3 15 B4R0.1 NCC(N)=O AC-65789 [1,0,0,0,0,0|2,0,0]=3 16 B4R0.1 O=C(O)CO AC-77042 [1,0,0,0,0,0|0,0,0]=1 17 B6R0.3 CCC(C)B(O)O AC-75313 [0,1,0,0,0,0|2,0,1]=4 18 B6R0.3 CCC(N)C(=O)O AC-12704 [0,1,0,0,0,0|1,0,0]=2 19 B6R0.3 CCC(N)C(=O)O AC-22541 [0,1,0,0,0,0|1,0,0]=2 20 B6R0.3 CCC(N)C(N)=O AC-12931 [0,1,0,0,0,0|2,0,0]=3 21 B6R0.3 CC[C@@H](N)C(=O)O AC-12705 [0,1,0,0,0,0|1,0,0]=2 22 B6R0.3 CN(C)C(=O)CN AC-80965 [0,1,0,0,0,0|3,0,0]=4 23 B6R0.3 COC(=O)C(C)N AC-10325 [0,1,0,0,0,0|1,0,0]=2 24 B6R0.3 COC(=O)[C@H](C)O AC-16717 [0,1,0,0,0,0|0,0,0]=1 25 B6R0.3 NC(CS)C(=O)O AC-27295 [0,1,0,0,0,0|1,0,0]=2 26 B6R0.3 NC[C@@H](N)C(=O)O AC-80565 [0,1,0,0,0,0|1,0,0]=2 27 B6R0.3 NC[C@H](N)C(=O)O AC-32482 [0,1,0,0,0,0|1,0,0]=2 28 B6R0.3 NC[C@H](O)C(=O)O AC-15048 [0,1,0,0,0,0|0,0,0]=1 29 B6R0.3 O=C(O)C(=O)CBr AC-66963 [0,1,0,0,0,0|0,0,2]=3 30 B6R0.7 CC(C)(Br)C(=O)Br AC-33430 [0,1,0,0,0,0|2,0,0]=3 31 B6R0.7 CC(C)(Br)C(=O)O AC-13633 [0,1,0,0,0,0|1,0,0]=2 32 B6R0.7 CC(C)(N)C(=O)O AC-22698 [0,1,0,0,0,0|1,0,0]=2 33 B6R0.7 NC(=O)C(F)(F)F AC-62671 [0,1,0,0,0,0|3,0,0]=4 34 B6R1.11 NC(=O)C1CC1 AC-35037 [0,0,0,1,0,0|2,0,0]=3 35 B6R1.11 O=C(O)C1CC1 AC-37568 [0,0,0,1,0,0|1,0,0]=2 36 B6R1.11 OB(O)C1CC1 AC-37891 [0,0,0,1,0,0|2,0,1]=4 37 B6R0.2 CC(C)CB(O)O AC-46050 [0,0,0,0,0,1|2,0,1]=4 38 B6R0.2 C[C@@H](O)CC(=O)O AC-81110 [0,0,0,0,0,1|0,0,0]=1 39 B6R0.2 C[C@@H](O)CC(=O)[O-] AC-77270 [0,0,0,0,0,1|0,0,1]=2 40 B6R0.2 C[C@H](N)CC(=O)O AC-77208 [0,0,0,0,0,1|1,0,0]=2 41 B6R0.2 N=C(O)NC(N)=O AC-76846 [0,0,0,0,0,1|2,0,1]=4 42 B5R0.1 C[C@@H](N)CCO AC-68296 [1,1,0,0,0,0|1,0,1]=4 43 B5R0.1 N#CCC(N)=O AC-76913 [1,1,0,0,0,0|1,0,1]=4 44 B5R0.3 CCC(N)CO AC-76788 [1,1,0,0,0,0|1,0,1]=4 45 B5R0.3 NCC(O)CO AC-15144 [1,1,0,0,0,0|0,0,1]=3 46 B5R0.3 NC[C@@H](O)CO AC-12808 [1,1,0,0,0,0|0,0,1]=3 47 B5R0.3 NC[C@H](O)CO AC-74173 [1,1,0,0,0,0|0,0,1]=3 48 B5R0.3 OC[C@@H](O)CCl AC-11570 [1,1,0,0,0,0|0,0,1]=3 49 B5R0.4 CCS(N)(=O)=O AC-76829 [1,1,0,0,0,0|1,0,1]=4 50 B5R0.4 CNS(=O)(=O)O AC-93774 [1,1,0,0,0,0|2,0,0]=4 51 B7R0.2 COC(=O)C[C@@H](C)O AC-45412 [0,1,0,0,0,1|0,0,0]=2 52 B7R0.2 COC(=O)C[C@H](C)N AC-85773 [0,1,0,0,0,1|1,0,0]=3 53 B7R0.2 COC(=O)\C=C(\C)N AC-76771 [0,1,0,0,0,1|1,0,1]=4 54 B7R0.2 NCC(O)CC(=O)O AC-58569 [0,1,0,0,0,1|0,0,0]=2 55 B7R0.2 NC[C@H](O)CC(=O)O AC-19148 [0,1,0,0,0,1|0,0,0]=2 56 B7R0.9 CC(C)(C)CC(=O)Cl AC-14006 [0,1,0,0,0,1|2,0,0]=4 57 B7R0.9 CC(C)(C)CC(=O)O AC-14005 [0,1,0,0,0,1|1,0,0]=3 58 B7R0.9 CC(C)(N)CC(=O)O AC-76582 [0,1,0,0,0,1|1,0,0]=3 59 B7R0.9 CS(=O)(=O)CC(=O)O AC-76118 [0,1,0,0,0,1|1,0,1]=4 60 B7R0.16 CC(C)[C@@H](N)C(N)=O AC-61031 [0,1,0,0,0,1|2,0,0]=4 61 B7R0.16 CN(C)C(=O)C(=O)O AC-28511 [0,1,0,0,0,1|2,0,0]=4 62 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O AC-11380 [0,1,0,0,0,1|0,0,0]=2 63 B7R0.5 C#CC[C@@H](N)C(=O)O AC-63825 [0,2,0,0,0,0|1,0,0]=3 64 B7R0.5 C=CC[C@H](N)C(=O)O AC-16624 [0,2,0,0,0,0|1,0,0]=3 65 B7R0.5 CCC[C@H](N)C(=O)O AC-15512 [0,2,0,0,0,0|1,0,0]=3 66 B7R0.5 CCOC(=O)C(F)F AC-20217 [0,2,0,0,0,0|2,0,0]=4 67 B7R0.5 CCOC(=O)[C@@H](C)N AC-76925 [0,2,0,0,0,0|1,0,0]=3 68 B7R0.5 CCOC(=O)[C@@H](C)O AC-79265 [0,2,0,0,0,0|0,0,0]=2 69 B7R0.5 COC[C@@H](N)C(=O)O AC-72094 [0,2,0,0,0,0|1,0,0]=3 70 B7R0.5 NC(CCO)C(=O)O AC-65691 [0,2,0,0,0,0|1,0,0]=3 71 B7R0.5 NCCC(N)C(=O)O AC-27327 [0,2,0,0,0,0|1,0,0]=3 72 B7R0.5 NCC[C@H](O)C(=O)O AC-10736 [0,2,0,0,0,0|0,0,0]=2 73 B7R0.5 N[C@H](CCO)C(=O)O AC-65692 [0,2,0,0,0,0|1,0,0]=3 74 B7R0.10 C=C(CBr)C(=O)OC AC-13327 [0,2,0,0,0,0|1,0,1]=4 75 B7R0.10 CCC(Br)C(=O)OC AC-76789 [0,2,0,0,0,0|1,0,0]=3 76 B7R0.10 COC(=O)C(N)CO AC-16201 [0,2,0,0,0,0|1,0,0]=3 77 B7R0.10 COC(=O)[C@@H](N)CN AC-60857 [0,2,0,0,0,0|1,0,0]=3 78 B7R0.10 COC(=O)[C@@H](N)CS AC-17049 [0,2,0,0,0,0|1,0,0]=3 79 B7R0.10 COC(=O)[C@H](N)CO AC-21878 [0,2,0,0,0,0|1,0,0]=3 80 B7R0.10 CON(C)C(=O)CCl AC-35202 [0,2,0,0,0,0|2,0,0]=4 81 B7R0.13 CC(C)(CCl)C(=O)Cl AC-17331 [0,2,0,0,0,0|2,0,0]=4 82 B7R0.14 COC(=O)C(C)(C)N AC-22699 [0,2,0,0,0,0|1,0,0]=3 83 B7R0.14 COC(=O)C(C)(C)O AC-15308 [0,2,0,0,0,0|0,0,0]=2 84 B5R1.2 O=C1CSC1 AC-80488 [1,0,0,1,0,0|1,1,0]=4 85 B7R1.2 CC1=CC(=O)CO1 AC-85907 [0,0,0,1,0,1|1,0,1]=4 86 B7R1.2 CC1=CC(O)=NO1 AC-58257 [0,0,0,1,0,1|1,0,1]=4 87 B7R1.2 CC1CNC(=O)C1 AC-86644 [0,0,0,1,0,1|2,0,0]=4 88 B7R1.2 NC1CCC(=O)C1 AC-82061 [0,0,0,1,0,1|2,0,0]=4 89 B7R1.2 NC1CCC(=O)C1 AC-84406 [0,0,0,1,0,1|2,0,0]=4 90 B7R1.2 NC1CNC(=O)C1 AC-91662 [0,0,0,1,0,1|2,0,0]=4 91 B7R1.2 NC1CNC(=O)C1 AC-92213 [0,0,0,1,0,1|2,0,0]=4 92 B7R1.2 O=C1C=C(O)CC1 AC-53397 [0,0,0,1,0,1|1,0,1]=4 93 B7R1.2 O=C1C=C(O)CO1 AC-65559 [0,0,0,1,0,1|0,0,1]=3 94 B7R1.2 O=C1CC(O)CN1 AC-45367 [0,0,0,1,0,1|1,0,0]=3 95 B7R1.2 O=C1C[C@H](O)CN1 AC-16846 [0,0,0,1,0,1|1,0,0]=3 96 B7R1.2 O=C1OCC(F)O1 AC-66136 [0,0,0,1,0,1|1,0,0]=3 97 B7R1.12 CC1CC1C(N)=O AC-91394 [0,0,0,1,0,1|2,0,0]=4 98 B7R1.20 O=C(O)CC1CC1 AC-15568 [0,0,0,1,0,1|1,0,0]=3 99 B7R1.4 CC1CCNC1=O AC-80276 [0,1,0,1,0,0|2,0,0]=4 100 B7R1.4 CC1OCCC1=O AC-16100 [0,1,0,1,0,0|1,0,0]=3 101 B7R1.4 NC1CCNC1=O AC-56337 [0,1,0,1,0,0|2,0,0]=4 102 B7R1.4 NC1CCNC1=O AC-84054 [0,1,0,1,0,0|2,0,0]=4 103 B7R1.4 NC1CONC1=O AC-79375 [0,1,0,1,0,0|1,0,0]=3 104 B7R1.4 N[C@@H]1CCNC1=O AC-41460 [0,1,0,1,0,0|2,0,0]=4 105 B7R1.4 N[C@H]1CCOC1=O AC-59650 [0,1,0,1,0,0|1,0,0]=3 106 B7R1.4 N[C@H]1CCSC1=O AC-80263 [0,1,0,1,0,0|1,1,0]=4 107 B7R1.4 N[C@H]1COC[C@@H]1O AC-85740 [0,1,0,1,0,0|1,0,1]=4 108 B7R1.4 O=C1CCC=C1O AC-79761 [0,1,0,1,0,0|1,0,1]=4 109 B7R1.4 O=C1NCCC1Br AC-76660 [0,1,0,1,0,0|2,0,0]=4 110 B7R1.4 O=C1NCC[C@@H]1O AC-67994 [0,1,0,1,0,0|1,0,0]=3 111 B7R1.4 O=C1NCC[C@H]1O AC-75580 [0,1,0,1,0,0|1,0,0]=3 112 B7R1.4 O=C1OCC=C1Br AC-89416 [0,1,0,1,0,0|1,0,1]=4 113 B7R1.4 O[C@H]1CNC[C@@H]1O AC-63687 [0,1,0,1,0,0|1,0,1]=4 114 B7R1.18 NC(=O)C1CCC1 AC-71954 [0,1,0,1,0,0|2,0,0]=4 115 B7R1.18 NC(=O)C1CCN1 AC-59671 [0,1,0,1,0,0|2,0,0]=4 116 B7R1.18 O=C(O)C1CCC1 AC-11357 [0,1,0,1,0,0|1,0,0]=3 117 B7R1.18 O=C(O)C1CCO1 AC-40084 [0,1,0,1,0,0|0,0,0]=2 118 B7R1.18 O=C(O)C1CNC1 AC-16023 [0,1,0,1,0,0|1,0,0]=3 119 B7R1.18 O=C(O)C1COC1 AC-40085 [0,1,0,1,0,0|0,0,0]=2 120 B7R1.18 O=C(O)[C@@H]1CCN1 AC-16024 [0,1,0,1,0,0|1,0,0]=3 121 B7R1.18 O=C(O)[C@H]1CCN1 AC-20594 [0,1,0,1,0,0|1,0,0]=3 122 B7R1.19 CC1(C(=O)O)CC1 AC-37948 [0,1,0,1,0,0|1,0,0]=3 123 B7R1.19 NC(=O)C1(Br)CC1 AC-74006 [0,1,0,1,0,0|2,0,0]=4 124 B7R1.19 NC(=O)C1(N)CC1 AC-45564 [0,1,0,1,0,0|2,0,0]=4 125 B7R1.19 NC1(C(=O)O)CC1 AC-22604 [0,1,0,1,0,0|1,0,0]=3 126 B7R1.19 O=C(O)C1(O)CC1 AC-45126 [0,1,0,1,0,0|0,0,0]=2 127 B7R1.22 N=C(NO)C1CC1 AC-37965 [0,1,0,1,0,0|2,0,0]=4 128 B7R0.6 CC(=O)NCC(=O)O AC-22388 [0,0,0,0,0,2|0,0,2]=4 129 B7R0.6 CC(C)NCC(=O)O AC-84846 [0,0,0,0,0,2|1,0,0]=3