0 B12R1.34 COC(=O)C(N)C1=CC=CC=C1 AK-57823 [0,0,0,0,0,0|3,0,1]=4 1 B12R1.34 O=C(N(OC)C)C1=CC=CC=C1 AK-50042 [0,0,0,0,0,0|2,0,2]=4 2 B12R1.34 O=C(OC)C(O)C1=CC=CC=C1 AK110711 [0,0,0,0,0,0|2,0,1]=3 3 B12R1.34 O=C(OC)[C@@H](N)C1=CC=CC=C1 AK-49410 [0,0,0,0,0,0|3,0,1]=4 4 B12R1.34 O=C(OC)[C@@H](N)C1=CC=CC=C1 AK-64578 [0,0,0,0,0,0|3,0,1]=4 5 B12R1.34 O=C(OC)[C@H](N)C1=CC=CC=C1 AK-47584 [0,0,0,0,0,0|3,0,1]=4 6 B12R1.34 O[C@@H](C1=CC=CC=C1)C(OC)=O AK-46674 [0,0,0,0,0,0|2,0,1]=3 7 B12R1.34 O[C@H](C1=CC=CC=C1)C(OC)=O AK-46628 [0,0,0,0,0,0|2,0,1]=3 8 B11R1.16 C=CC[C@H](C1=CC=CC=C1)N AK172643 [1,0,0,0,0,0|2,0,1]=4 9 B11R1.16 CCCC(C1=CC=CC=C1)=O AK164430 [1,0,0,0,0,0|1,0,2]=4 10 B11R1.16 CCCC(C1=CC=NC=C1)N AK687508 [1,0,0,0,0,0|3,0,0]=4 11 B11R1.16 ClCCC(O)C1=CC=CC=C1 AK-40050 [1,0,0,0,0,0|2,0,0]=3 12 B11R1.16 N#CCC(O)C1=CC=CC=C1 AK-63411 [1,0,0,0,0,0|2,0,0]=3 13 B11R1.16 N[C@@H](C1=CC=CC=C1)CCO AK-33656 [1,0,0,0,0,0|3,0,0]=4 14 B11R1.16 OC(C1=CC=CC=C1)CCN AK206233 [1,0,0,0,0,0|2,0,0]=3 15 B11R1.16 OCCC(N)C1=CC=CC=C1 AK-33310 [1,0,0,0,0,0|3,0,0]=4 16 B11R1.16 OCC[C@H](N)C1=CC=CC=C1 AK-36482 [1,0,0,0,0,0|3,0,0]=4 17 B11R1.16 O[C@@H](C1=CC=CC=C1)CCCl AK-25234 [1,0,0,0,0,0|2,0,0]=3 18 B11R1.16 O[C@H](C1=CC=CC=C1)CCCl AK-31989 [1,0,0,0,0,0|2,0,0]=3 19 B11R1.36 C1=CC=CC=C1C(C(O)=O)O AK-54084 [1,0,0,0,0,0|2,0,1]=4 20 B11R1.36 CC(C)[C@@H](C1=CC=CC=C1)N AK-42222 [1,0,0,0,0,0|1,0,0]=2 21 B11R1.36 CC(C)[C@H](C1=CC=CC=C1)N AK-41685 [1,0,0,0,0,0|1,0,0]=2 22 B11R1.36 C[C@@H](O)[C@H](N)C1=CC=CC=C1 AK608029 [1,0,0,0,0,0|2,0,0]=3 23 B11R1.36 C[C@H](O)[C@H](N)C1=CC=CC=C1 AK608030 [1,0,0,0,0,0|2,0,0]=3 24 B11R1.36 N[C@H](C(=O)N)C1=CC=CC=C1 AK-35984 [1,0,0,0,0,0|2,0,1]=4 25 B11R1.36 O=C(N)C(O)C1=CC=CC=C1 AK198609 [1,0,0,0,0,0|1,0,1]=3 26 B11R1.36 O=C(N)[C@H](N)C1=CC=CC=C1 AK-70916 [1,0,0,0,0,0|2,0,1]=4 27 B11R1.36 [C@@H](O)(C1=CC=CC=C1)C(=O)O AK-47567 [1,0,0,0,0,0|2,0,1]=4 28 B11R1.36 [C@H](C1=CC=CC=C1)(C(O)=O)O AK-42339 [1,0,0,0,0,0|2,0,1]=4 29 B11R1.40 C=C[C@@H](N)CC1=CC=CC=C1 AK142273 [1,0,0,0,0,0|2,0,1]=4 30 B11R1.40 NNC(=O)CC1=CC=CC=C1 AK-77117 [1,0,0,0,0,0|2,0,1]=4 31 B11R1.40 O=C(NC)CC1=CC=CN=C1 AK175433 [1,0,0,0,0,0|2,0,1]=4 32 B11R1.40 O=C(OC)CC1=CC=CC=C1 AK163377 [1,0,0,0,0,0|2,0,1]=4 33 B11R1.40 OCC(N)CC1=CC=CC=C1 AK-33528 [1,0,0,0,0,0|3,0,0]=4 34 B11R1.40 OC[C@@H](N)CC1=CC=CC=C1 AK-46725 [1,0,0,0,0,0|3,0,0]=4 35 B11R1.40 OC[C@H](N)CC1=CC=CC=C1 AK-45609 [1,0,0,0,0,0|3,0,0]=4 36 B13R1.152 CC(C(C)C(C1=CC=CC=C1)=O)=O AK-36052 [0,1,0,0,0,0|1,0,2]=4 37 B13R2.15 NC1C(C2=CC=CC=C2)CCC1 AK162235 [0,0,0,1,0,0|3,0,0]=4 38 B13R2.32 CC1CCC2=C(C=CC=C2)C1=O AK110949 [0,0,0,1,0,0|1,0,2]=4 39 B13R2.32 NC1CCC2=C(C=CC=C2)C1O AK-55883 [0,0,0,1,0,0|2,0,0]=3 40 B13R2.32 OC1C(N)C2=C(C=CC=C2)CC1 AK134664 [0,0,0,1,0,0|3,0,0]=4 41 B13R2.8137 NC(C1CCC1)C2=CC=CC=C2 AK167723 [0,0,0,1,0,0|2,0,0]=3 42 B13R1.135 O=C(OC)[C@@H](O)CC1=CC=CC=C1 AK-43989 [0,0,0,0,0,1|2,0,1]=4 43 B13R1.135 O=C(OC)[C@H](O)CC1=CC=CC=C1 AK-42956 [0,0,0,0,0,1|2,0,1]=4 44 B10R1.15 CC(C1=CC=CC=C1)CN AK-67959 [2,0,0,0,0,0|1,0,0]=3 45 B10R1.15 CC[C@@H](C1=NC=CC=C1)N AK544238 [2,0,0,0,0,0|2,0,0]=4 46 B10R1.15 CC[C@H](C1=NC=CC=C1)N AK668420 [2,0,0,0,0,0|2,0,0]=4 47 B10R1.15 C[C@@H](CN)C1=CC=CC=C1 AK-47624 [2,0,0,0,0,0|1,0,0]=3 48 B10R1.15 C[C@@H](NC)C1=CC=CC=C1 AK140531 [2,0,0,0,0,0|1,0,0]=3 49 B10R1.15 FC(C1=CC=CC=C1)CBr AK-93540 [2,0,0,0,0,0|2,0,0]=4 50 B10R1.15 NCC(C1=CC=CC=C1)=O AK-26107 [2,0,0,0,0,0|0,0,2]=4 51 B10R1.15 NCC(O)C1=NC=CC=C1 AK157200 [2,0,0,0,0,0|1,0,0]=3 52 B10R1.15 NC[C@@H](O)C1=CC=CC=C1 AK-45230 [2,0,0,0,0,0|0,0,0]=2 53 B10R1.15 NC[C@@H](O)C1=CC=CN=C1 AK-96401 [2,0,0,0,0,0|1,0,0]=3 54 B10R1.15 N[C@H](C1=CC=CC=C1)CO AK-41249 [2,0,0,0,0,0|2,0,0]=4 55 B10R1.15 O=C(NC)C1=CC=CC=C1 AK323662 [2,0,0,0,0,0|0,0,2]=4 56 B10R1.15 OC(C1=CC=CC=C1)CBr AK-76552 [2,0,0,0,0,0|1,0,0]=3 57 B10R1.15 OC(C1=CC=CC=C1)CO AK117070 [2,0,0,0,0,0|1,0,0]=3 58 B10R1.15 OCC(N)C1=CC=CC=C1 AK-47370 [2,0,0,0,0,0|2,0,0]=4 59 B10R1.15 O[C@@H](C1=CC=CC=C1)CO AK-45210 [2,0,0,0,0,0|1,0,0]=3 60 B10R1.15 O[C@H](C1=CC=CC=C1)CO AK-33573 [2,0,0,0,0,0|1,0,0]=3 61 B10R1.15 [C@H](N)(C1=CC=CC=C1)CO AK-41260 [2,0,0,0,0,0|2,0,0]=4 62 B10R1.17 CCCC[N+]1=CC=CC=C1 AK107641 [2,0,0,0,0,0|2,0,0]=4 63 B10R1.17 CCCC[N+]1=CC=CC=C1 AK676172 [2,0,0,0,0,0|2,0,0]=4 64 B10R1.17 CCCOC1=CC=CC=C1 AK544046 [2,0,0,0,0,0|2,0,0]=4 65 B10R1.17 CNCCC1=CC=CN=C1 AK-33941 [2,0,0,0,0,0|1,0,0]=3 66 B10R1.17 CNCCC1=NC=CC=C1 AK163686 [2,0,0,0,0,0|1,0,0]=3 67 B10R1.17 NOCCC1=CC=CC=C1 AK-58452 [2,0,0,0,0,0|2,0,0]=4 68 B10R1.17 O=CCCC1=CC=CC=C1 AK-41238 [2,0,0,0,0,0|2,0,0]=4 69 B10R1.17 OCCCC1=CC=CC=C1 AK114527 [2,0,0,0,0,0|2,0,0]=4 70 B10R1.18 CC(C)OC1=CC=CC=C1 AK110874 [2,0,0,0,0,0|1,0,0]=3 71 B10R1.18 CC(OC1=CC=CN=C1)C AK167273 [2,0,0,0,0,0|2,0,0]=4 72 B10R1.18 CC(OC1=NC=CC=C1)C AK-47912 [2,0,0,0,0,0|2,0,0]=4 73 B10R1.18 C\C(C)=C/C1=CC=CC=C1 AK113914 [2,0,0,0,0,0|0,0,2]=4 74 B10R1.18 N=C(N)CC1=CC=CC=C1 AK-77604 [2,0,0,0,0,0|1,0,1]=4 75 B10R1.18 O=C(N)CC1=CC=CC=C1 AK-45803 [2,0,0,0,0,0|1,0,1]=4 76 B12R1.16 OC1=CC=C(C(O)CNC)C=C1 AK-72983 [1,1,0,0,0,0|0,0,0]=2 77 B12R1.30 CNCCC(C1=CC=CC=C1)=O AK400477 [1,1,0,0,0,0|0,0,2]=4 78 B12R1.30 OC(C1=CC=CC=C1)CCNC AK-48238 [1,1,0,0,0,0|0,0,0]=2 79 B12R1.30 OCCC[C@H](N)C1=CC=CC=C1 AK172741 [1,1,0,0,0,0|2,0,0]=4 80 B12R1.107 C1=C(C(CC(O)=O)O)C=CC=C1 AK-46121 [1,1,0,0,0,0|2,0,0]=4 81 B12R1.308 CCC[C@H](C1=CC=CC=C1C)N AK683690 [1,1,0,0,0,0|2,0,0]=4 82 B12R1.20 CC(C)C(C1=CC=C(Br)C=C1)=O AK106568 [1,1,0,0,0,0|0,0,2]=4 83 B12R1.20 CC(C)C(C1=CC=C(Cl)C=C1)=O AK163961 [1,1,0,0,0,0|0,0,2]=4 84 B12R1.20 CC(C)[C@@H](C1=CC=C(Br)C=C1)N AK684523 [1,1,0,0,0,0|1,0,0]=3 85 B12R1.225 CC(C)C(C1=CC=CC(Br)=C1)=O AK105989 [1,1,0,0,0,0|0,0,2]=4 86 B12R1.225 OC1=CC=CC(C(N(C)C)C)=C1 AK-32756 [1,1,0,0,0,0|2,0,0]=4 87 B12R1.225 OC1=CC=CC([C@@H](N(C)C)C)=C1 AK-51758 [1,1,0,0,0,0|2,0,0]=4 88 B12R1.225 OC1=CC=CC([C@H](N(C)C)C)=C1 AK-36564 [1,1,0,0,0,0|2,0,0]=4 89 B12R1.564 CC(C(C1=CC=CC=C1)N)(C)C AK-46103 [1,1,0,0,0,0|1,0,0]=3 90 B12R1.564 CC(C)(C)[C@H](C1=CC=CC=C1)N AK167726 [1,1,0,0,0,0|1,0,0]=3 91 B12R1.564 CC(C)(O)C(C1=CC=CC=C1)=O AK-98815 [1,1,0,0,0,0|0,0,2]=4 92 B12R1.43 CC(CC1=CC=CC=C1)C(C)=O AK-89817 [1,1,0,0,0,0|1,0,0]=3 93 B12R1.118 OCC(CC1=CC=CC=C1)CN AK146967 [1,1,0,0,0,0|2,0,0]=4 94 B12R1.118 OC[C@@H](NC)CC1=CC=CC=C1 AK-93560 [1,1,0,0,0,0|0,0,0]=2 95 B12R2.2 C1CNC(C1)C2=CC=CC=C2 AK-39010 [1,0,0,1,0,0|2,0,0]=4 96 B12R2.2 [C@@H]1(C2=CC=CC=C2)CNCC1 AK-76742 [1,0,0,1,0,0|1,0,0]=3 97 B12R2.2 [C@H]1(C2=CC=CC=C2)NCCC1 AK129122 [1,0,0,1,0,0|2,0,0]=4 98 B12R2.2 [C@H]1(C2=CC=CC=C2)NCCC1 AK141955 [1,0,0,1,0,0|2,0,0]=4 99 B12R2.116 OC1(C2=CC=CC=C2)CNC1 AK136597 [1,0,0,1,0,0|0,0,0]=2 100 B12R2.116 OC1(C2=CC=CC=C2)COC1 AK140940 [1,0,0,1,0,0|1,0,0]=3 101 B12R2.1081 CC1CNCC2=C1C=CC=C2 AK130522 [1,0,0,1,0,0|1,0,0]=3 102 B12R2.1081 N1=CC=CC2=C1C(CCC2)O AK-25433 [1,0,0,1,0,0|2,0,0]=4 103 B12R2.1081 NC1CCCC2=C1C=CC=C2 AK-31970 [1,0,0,1,0,0|2,0,0]=4 104 B12R2.1081 NC1CCCC2=C1C=CC=C2 AK-81453 [1,0,0,1,0,0|2,0,0]=4 105 B12R2.1081 N[C@@H]1CCCC2=C1C=CC=C2 AK105266 [1,0,0,1,0,0|2,0,0]=4 106 B12R2.1081 OC1CCCC2=C1C=CC=C2 AK-50542 [1,0,0,1,0,0|1,0,0]=3 107 B12R2.1081 OC1CCNC2=C1C=CC=C2 AK-87029 [1,0,0,1,0,0|2,0,0]=4 108 B12R2.1081 OC1COCC2=C1C=CC=C2 AK-76197 [1,0,0,1,0,0|1,0,0]=3 109 B12R2.1081 [C@H]1(C2=CC=CC=C2CCC1)N AK-34256 [1,0,0,1,0,0|2,0,0]=4 110 B12R2.18 CC1C(C)NC2=C1C=CC=C2 AK115892 [1,0,0,1,0,0|1,0,0]=3 111 B12R2.18 O[C@@H]1[C@H](N)C2=C(C=CC=C2)C1 AK-27059 [1,0,0,1,0,0|2,0,0]=4 112 B12R2.18 O[C@H]1[C@@H](N)C2=C(C=CC=C2)C1 AK-25342 [1,0,0,1,0,0|2,0,0]=4 113 B12R2.24 CC1CC2=C(CN1)C=CC=C2 AK-77462 [1,0,0,1,0,0|0,0,0]=2 114 B12R2.24 CC1CCC2=CC=CC=C2N1 AK-33768 [1,0,0,1,0,0|2,0,0]=4 115 B12R2.24 CC1CNC2=C(C=CC=C2)C1 AK146007 [1,0,0,1,0,0|2,0,0]=4 116 B12R2.24 NC1CC2=C(C=CC=C2)CC1 AK-33697 [1,0,0,1,0,0|2,0,0]=4 117 B12R2.24 N[C@@H]1CC2=C(C=CC=C2)CC1 AK-25606 [1,0,0,1,0,0|2,0,0]=4 118 B12R2.24 N[C@H]1CC2=C(C=CC=C2)CC1 AK128431 [1,0,0,1,0,0|2,0,0]=4 119 B12R2.24 OC1CC2=C(C=CC=C2)CC1 AK324558 [1,0,0,1,0,0|2,0,0]=4 120 B12R2.32 CNC1CC2=C(C=CC=C2)C1 AK119636 [1,0,0,1,0,0|0,0,0]=2 121 B14R2.21 N[C@H]1C[C@H](C2=CC=CC=C2)OCC1 AK120843 [0,0,0,1,0,1|2,0,0]=4 122 B14R2.114 O=C(C1=CC=CC=C1)C2CNCC2 AK199238 [0,1,0,1,0,0|0,0,2]=4 123 B14R2.598 O=C1O[C@H](C2=CC=CC=C2)[C@H](C)N1 AK-60022 [0,1,0,1,0,0|0,0,1]=3 124 B12R1.27 C[C@H](NCC1=CC=CC=C1)CO AK112680 [1,0,0,0,0,1|2,0,0]=4