0 B12R1.30 C1=CC=NC=C1C(NCCO)=O AK-39366 [0,0,0,0,0,0|3,0,0]=3 1 B12R1.30 CNCCC(C1=CC=CC=C1)=O AK400477 [0,0,0,0,0,0|2,0,0]=2 2 B12R1.30 O=C(OCCC)C1=CC=CC=C1 AK-93452 [0,0,0,0,0,0|0,0,0]=0 3 B12R1.30 O=CNCC(C1=CC=CC=C1)=O AK-93558 [0,0,0,0,0,0|3,0,1]=4 4 B12R1.30 OC(C1=CC=CC=C1)CCNC AK-48238 [0,0,0,0,0,0|2,0,2]=4 5 B12R1.30 OCCC[C@H](N)C1=CC=CC=C1 AK172741 [0,0,0,0,0,0|3,0,1]=4 6 B11R1.16 C1=C(C(OCC)=O)N=CC=C1 AK-48935 [1,0,0,0,0,0|1,0,0]=2 7 B11R1.16 CCCC(C1=CC=CC=C1)=O AK164430 [1,0,0,0,0,0|0,0,0]=1 8 B11R1.16 CCCC(C1=CC=CN=C1)=O AK123326 [1,0,0,0,0,0|1,0,0]=2 9 B11R1.16 CCCC(C1=CC=NC=C1)N AK687508 [1,0,0,0,0,0|2,0,1]=4 10 B11R1.16 CCOC(=O)C1=NC=CC=N1 AK-85955 [1,0,0,0,0,0|2,0,0]=3 11 B11R1.16 ClCCC(O)C1=CC=CC=C1 AK-40050 [1,0,0,0,0,0|1,0,2]=4 12 B11R1.16 N#CCC(C1=CC=CC=C1)=O AK-43072 [1,0,0,0,0,0|1,0,1]=3 13 B11R1.16 N#CCC(C1=CC=NC=C1)=O AK-34281 [1,0,0,0,0,0|2,0,1]=4 14 B11R1.16 N[C@@H](C1=CC=CC=C1)CCO AK-33656 [1,0,0,0,0,0|2,0,1]=4 15 B11R1.16 O=C(C1=NC=CN=C1)OCC AK-40036 [1,0,0,0,0,0|2,0,0]=3 16 B11R1.16 O=C(OCC)C1=CC=NC=C1 AK-50699 [1,0,0,0,0,0|1,0,0]=2 17 B11R1.16 O=C(OCC)C1=CN=CC=C1 AK-88428 [1,0,0,0,0,0|1,0,0]=2 18 B11R1.16 O=C(OCCl)C1=CC=CC=C1 AK-86220 [1,0,0,0,0,0|1,0,0]=2 19 B11R1.16 OC(C1=CC=CC=C1)CCN AK206233 [1,0,0,0,0,0|1,0,2]=4 20 B11R1.16 OCCC(N)C1=CC=CC=C1 AK-33310 [1,0,0,0,0,0|2,0,1]=4 21 B11R1.16 OCC[C@H](N)C1=CC=CC=C1 AK-36482 [1,0,0,0,0,0|2,0,1]=4 22 B11R1.16 O[C@@H](C1=CC=CC=C1)CCCl AK-25234 [1,0,0,0,0,0|1,0,2]=4 23 B11R1.16 O[C@H](C1=CC=CC=C1)CCCl AK-31989 [1,0,0,0,0,0|1,0,2]=4 24 B11R1.28 BrCCOCC1=CC=CC=C1 AK-47866 [1,0,0,0,0,0|1,0,1]=3 25 B11R1.28 C(C1=CC=CC=C1)OCCN AK-34948 [1,0,0,0,0,0|1,0,1]=3 26 B11R1.28 C1=C(CCCCO)C=CC=C1 AK-34737 [1,0,0,0,0,0|2,0,1]=4 27 B11R1.28 C1=C(OCCCBr)C=CC=C1 AK-45305 [1,0,0,0,0,0|3,0,0]=4 28 B11R1.28 CCCCCC1=NC=CC=C1 AK116759 [1,0,0,0,0,0|2,0,1]=4 29 B11R1.28 CCCNCC1=CC=CC=C1 AK-90312 [1,0,0,0,0,0|1,0,1]=3 30 B11R1.28 NCCOCC1=CC=CC=C1 AK174588 [1,0,0,0,0,0|1,0,1]=3 31 B11R1.28 O=CCOCC1=CC=CC=C1 AK-54919 [1,0,0,0,0,0|1,0,2]=4 32 B11R1.28 OCCNCC1=CC=CC=C1 AK105875 [1,0,0,0,0,0|2,0,1]=4 33 B11R1.28 OCCOCC1=CC=CC=C1 AK110808 [1,0,0,0,0,0|1,0,1]=3 34 B13R1.17 C1=C(C=CC(=C1)O)C(CCCC)=O AK-47484 [0,1,0,0,0,0|1,0,0]=2 35 B13R1.17 CCCCC(C1=CC=C(C)C=C1)=O AK-60992 [0,1,0,0,0,0|1,0,0]=2 36 B13R1.17 O=C(C1=CC=C(Br)C=C1)CCCCl AK112424 [0,1,0,0,0,0|2,0,0]=3 37 B13R1.17 O=C(C1=CC=C(F)C=C1)CCCCl AK106983 [0,1,0,0,0,0|2,0,0]=3 38 B13R1.17 O=C(C1=CC=C(O)C=C1)CCCCl AK114574 [0,1,0,0,0,0|2,0,0]=3 39 B13R1.17 O=C(OCCC)C1=CC=C(O)C=C1 AK106260 [0,1,0,0,0,0|0,0,0]=1 40 B13R1.17 O=C(OCCO)C1=CC=C(O)C=C1 AK135792 [0,1,0,0,0,0|1,0,0]=2 41 B13R1.17 [O-]C1=CC=C(C(OCCC)=O)C=C1 AK121813 [0,1,0,0,0,0|0,0,0]=1 42 B13R1.24 CCCCOC(=O)C1=CC=CN=C1 AK102497 [0,1,0,0,0,0|1,0,0]=2 43 B13R1.45 CN(C)C=CC(=O)C1=CC=CC=C1 AK-65185 [0,1,0,0,0,0|2,0,1]=4 44 B13R1.45 O=C(NNC(C)C)C1=CC=NC=C1 AK161712 [0,1,0,0,0,0|3,0,0]=4 45 B13R1.45 O=C(O)CNC(C1=CC=CC=C1)=O AK-42216 [0,1,0,0,0,0|2,0,1]=4 46 B13R1.47 O=C(OCC)C(C1=CC=CN=C1)=O AK-40228 [0,1,0,0,0,0|3,0,0]=4 47 B13R1.122 O=S(=O)(OCC#C)C1=CC=CC=C1 AK-96021 [0,1,0,0,0,0|1,0,2]=4 48 B13R1.122 O=S(C1=CC=CC=C1)(OCCC)=O AK481899 [0,1,0,0,0,0|1,0,0]=2 49 B13R2.3 C1(C2=CC=CC=C2)=CCCCC1 AK339077 [0,0,0,1,0,0|2,0,0]=3 50 B13R2.3 C1(C2CCCCC2)=CC=CC=C1 AK-97259 [0,0,0,1,0,0|2,0,1]=4 51 B13R2.3 C1CCC(NC1)C2=CC=CC=C2 AK110601 [0,0,0,1,0,0|2,0,1]=4 52 B13R2.3 [C@@H]1(C2=CC=CC=C2)NCCCC1 AK185732 [0,0,0,1,0,0|2,0,1]=4 53 B13R2.3 [C@H]1(C2=CC=CC=C2)NCCCC1 AK185822 [0,0,0,1,0,0|2,0,1]=4 54 B13R2.10 CC1=NOC(C2=CC=CC=C2)=C1 AK142339 [0,0,0,1,0,0|2,0,1]=4 55 B13R2.371 O=C1CCC(C)C2=C1C=CC=C2 AK-80112 [0,0,0,1,0,0|1,0,0]=2 56 B13R2.371 O=C1CCC(O)C2=C1C=CC=C2 AK-40574 [0,0,0,1,0,0|2,0,0]=3 57 B13R2.371 O=C1NCC(C2=C1C=CC=C2)=O AK157604 [0,0,0,1,0,0|2,0,1]=4 58 B13R2.371 O=C1OCC(C2=C1C=CC=C2)=O AK241901 [0,0,0,1,0,0|1,0,1]=3 59 B13R2.2931 N#CI1OC(C2=CC=CC=C21)=O AK-60394 [0,0,0,1,0,0|2,0,1]=4 60 B13R2.5252 C1=C2C(=CC=C1)NCCCC2=O AK-29782 [0,0,0,1,0,0|2,0,0]=3 61 B13R2.5252 O=C1C2=CC=CC=C2NCCN1 AK-86067 [0,0,0,1,0,0|2,0,0]=3 62 B13R2.5252 O=C1NCCCC2=CC=CC=C12 AK-36067 [0,0,0,1,0,0|1,0,0]=2 63 B13R2.8137 NC(C1CCC1)C2=CC=CC=C2 AK167723 [0,0,0,1,0,0|2,0,1]=4 64 B11R1.29 O=C(C1=CC=CS1)CCNC AK123073 [0,0,0,0,1,0|3,0,0]=4 65 B13R1.44 O=C(OCC=C)OC1=CC=CC=C1 AK656212 [0,0,0,0,0,1|0,0,2]=3 66 B10R1.15 C1=C(C(OC)=O)C=CN=C1 AK-46755 [2,0,0,0,0,0|1,0,0]=3 67 B10R1.15 C1=C(C(OC)=O)N=CC=C1 AK-46574 [2,0,0,0,0,0|1,0,0]=3 68 B10R1.15 C1=CC=NC=C1C(OC)=O AK-47410 [2,0,0,0,0,0|1,0,0]=3 69 B10R1.15 C1=NC=CN=C1C(OC)=O AK-47365 [2,0,0,0,0,0|2,0,0]=4 70 B10R1.15 N1=NC=C(C=C1)C(=O)OC AK-48857 [2,0,0,0,0,0|2,0,0]=4 71 B10R1.15 NCC(C1=CC=CC=C1)=O AK-26107 [2,0,0,0,0,0|1,0,0]=3 72 B10R1.15 O=C(C1=NC=CC=C1)CBr AK-44981 [2,0,0,0,0,0|2,0,0]=4 73 B10R1.15 O=C(C1=NC=CC=N1)OC AK-24352 [2,0,0,0,0,0|2,0,0]=4 74 B10R1.15 O=C(C1=NN=CC=C1)OC AK-68100 [2,0,0,0,0,0|2,0,0]=4 75 B10R1.15 O=C(NC)C1=CC=CC=C1 AK323662 [2,0,0,0,0,0|1,0,0]=3 76 B10R1.15 O=S(C1=CC=CC=C1)OC AK109245 [2,0,0,0,0,0|1,0,0]=3 77 B10R1.15 OCC(=O)C1=CC=CC=C1 AK-94786 [2,0,0,0,0,0|1,0,0]=3 78 B10R1.17 BrCCOC1=CC=CC=C1 AK-88423 [2,0,0,0,0,0|1,0,0]=3 79 B10R1.17 C=CCOC1=CC=CC=C1 AK116728 [2,0,0,0,0,0|0,0,2]=4 80 B10R1.17 CCCC[N+]1=CC=CC=C1 AK107641 [2,0,0,0,0,0|1,0,1]=4 81 B10R1.17 CCCC[N+]1=CC=CC=C1 AK676172 [2,0,0,0,0,0|1,0,1]=4 82 B10R1.17 CCCOC1=CC=CC=C1 AK544046 [2,0,0,0,0,0|0,0,0]=2 83 B10R1.17 ClCCOC1=CC=CC=C1 AK113619 [2,0,0,0,0,0|1,0,0]=3 84 B10R1.17 NCCOC1=CC=CN=C1 AK108382 [2,0,0,0,0,0|2,0,0]=4 85 B10R1.17 NCCOC1=CC=NC=C1 AK158871 [2,0,0,0,0,0|2,0,0]=4 86 B10R1.17 NCCOC1=NC=CC=C1 AK-86743 [2,0,0,0,0,0|2,0,0]=4 87 B10R1.17 O=CCOC1=CC=CC=C1 AK-92294 [2,0,0,0,0,0|1,0,1]=4 88 B10R1.17 OCCCC1=CC=CC=C1 AK114527 [2,0,0,0,0,0|1,0,1]=4 89 B10R1.17 [NH]CCOC1=CC=CC=C1 AK-46660 [2,0,0,0,0,0|1,0,0]=3 90 B12R1.16 BrC1=CN=C(C=N1)C(=O)OCC AK-24838 [1,1,0,0,0,0|2,0,0]=4 91 B12R1.16 BrC1=CN=C(N=C1)C(=O)OCC AK-28413 [1,1,0,0,0,0|2,0,0]=4 92 B12R1.16 C(C)OC(=O)C1=NC=C(C=C1)Br AK-26326 [1,1,0,0,0,0|1,0,0]=3 93 B12R1.16 C(C)OC(C1=CN=C(C=C1)Br)=O AK-25676 [1,1,0,0,0,0|1,0,0]=3 94 B12R1.16 C(OC(=O)C1=CNC(=O)C=C1)C AK-25535 [1,1,0,0,0,0|1,0,0]=3 95 B12R1.16 C1=C(C(OCC)=O)C=CC(=C1)Br AK-47339 [1,1,0,0,0,0|0,0,0]=2 96 B12R1.16 C1=CC(=CC=C1C(OCC)=O)F AK-46539 [1,1,0,0,0,0|0,0,0]=2 97 B12R1.16 CCCC(C1=CC=C(F)C=C1)=O AK324839 [1,1,0,0,0,0|0,0,0]=2 98 B12R1.16 CCCC(C1=CC=C(O)C=C1)=O AK114518 [1,1,0,0,0,0|0,0,0]=2 99 B12R1.16 CCOC(=O)C1=CC=C(C)N=C1 AK-47039 [1,1,0,0,0,0|1,0,0]=3 100 B12R1.16 CCOC(=O)C1=CN=C(Cl)C=C1 AK-29299 [1,1,0,0,0,0|1,0,0]=3 101 B12R1.16 CCOC(=O)C1=CNC(=O)N=C1 AK-48753 [1,1,0,0,0,0|2,0,0]=4 102 B12R1.16 COCC(C1=CC=C(O)C=C1)=O AK144287 [1,1,0,0,0,0|1,0,0]=3 103 B12R1.16 ClC1=NC=C(C=N1)C(=O)OCC AK-32391 [1,1,0,0,0,0|2,0,0]=4 104 B12R1.16 ClCCC(=O)C1=CC=C(Br)C=C1 AK-48143 [1,1,0,0,0,0|1,0,0]=3 105 B12R1.16 N#CCC(C1=CC=C(F)C=C1)=O AK-84420 [1,1,0,0,0,0|1,0,1]=4 106 B12R1.16 NC1=CN=C(C=N1)C(=O)OCC AK-24065 [1,1,0,0,0,0|2,0,0]=4 107 B12R1.16 O=C(C1=CC=C(Cl)C=C1)CC#N AK-42875 [1,1,0,0,0,0|1,0,1]=4 108 B12R1.16 O=C(C1=CN=C(C)N=C1)OCC AK-47037 [1,1,0,0,0,0|2,0,0]=4 109 B12R1.16 O=C(C1=CN=C(N)N=C1)OCC AK-50608 [1,1,0,0,0,0|2,0,0]=4 110 B12R1.16 O=C(C1=NC=C(C)N=C1)OCC AK-68294 [1,1,0,0,0,0|2,0,0]=4 111 B12R1.16 O=C(C1=NC=C(Cl)N=C1)OCC AK104858 [1,1,0,0,0,0|2,0,0]=4 112 B12R1.16 O=C(OCC)C1=CC=C(Cl)C=C1 AK109118 [1,1,0,0,0,0|0,0,0]=2 113 B12R1.16 O=C(OCC)C1=CC=C(I)C=C1 AK-43962 [1,1,0,0,0,0|0,0,0]=2 114 B12R1.16 O=C(OCC)C1=CC=C(N)C=C1 AK-46733 [1,1,0,0,0,0|0,0,0]=2 115 B12R1.16 O=C(OCC)C1=CC=C(O)C=C1 AK-49315 [1,1,0,0,0,0|0,0,0]=2 116 B12R1.16 O=C(OCC)C1=CN=C(N)C=C1 AK-32375 [1,1,0,0,0,0|1,0,0]=3 117 B12R1.16 O=C(OCC)C1=NC=C(C)C=C1 AK-68218 [1,1,0,0,0,0|1,0,0]=3 118 B12R1.16 O=C(OCC)C1=NC=C(N)C=C1 AK112557 [1,1,0,0,0,0|1,0,0]=3 119 B12R1.17 BrC1=CC=CC(=N1)C(=O)OCC AK-25598 [1,1,0,0,0,0|1,0,0]=3 120 B12R1.17 C1=C(C(CC#N)=O)C=CC=C1Cl AK-73097 [1,1,0,0,0,0|1,0,1]=4 121 B12R1.17 C1=C(C(OCC)=O)C=NC=C1Br AK-25588 [1,1,0,0,0,0|1,0,0]=3 122 B12R1.17 C1=C(C=CC=C1C(OCC)=O)I AK-73125 [1,1,0,0,0,0|0,0,0]=2 123 B12R1.17 CCOC(=O)C1=CC(=O)C=CO1 AK-84626 [1,1,0,0,0,0|1,0,0]=3 124 B12R1.17 CCOC(=O)C1=CC(Br)=NC=C1 AK-29726 [1,1,0,0,0,0|1,0,0]=3 125 B12R1.17 CCOC(=O)C1=CC(Cl)=NC=N1 AK-47261 [1,1,0,0,0,0|2,0,0]=4 126 B12R1.17 CCOC(=O)C1=CN=CC(Cl)=N1 AK104857 [1,1,0,0,0,0|2,0,0]=4 127 B12R1.17 ClC1=NC=CC(=C1)C(=O)OCC AK-29371 [1,1,0,0,0,0|1,0,0]=3 128 B12R1.17 NC1=NC(=NC=C1)C(=O)OCC AK-27285 [1,1,0,0,0,0|2,0,0]=4 129 B12R1.17 O=C(C1=CC(Cl)=NN=C1)OCC AK-39549 [1,1,0,0,0,0|2,0,0]=4 130 B12R1.17 O=C(C1=NC(Cl)=NC=C1)OCC AK-76171 [1,1,0,0,0,0|2,0,0]=4 131 B12R1.17 O=C(C=1NC=NC(C1)=O)OCC AK-82793 [1,1,0,0,0,0|2,0,0]=4 132 B12R1.17 O=C(OCC)C1=CC=CC(Cl)=C1 AK-51253 [1,1,0,0,0,0|0,0,0]=2 133 B12R1.17 O=C(OCC)C1=CC=CC(N)=C1 AK103327 [1,1,0,0,0,0|0,0,0]=2 134 B12R1.17 O=C(OCC)C1=CC=CC(O)=C1 AK-76827 [1,1,0,0,0,0|0,0,0]=2 135 B12R1.17 O=C(OCC)C1=CC=NC(N)=C1 AK-33137 [1,1,0,0,0,0|1,0,0]=3 136 B12R1.17 O=C(OCC)C1=CN=CC(C)=C1 AK-39650 [1,1,0,0,0,0|1,0,0]=3 137 B12R1.17 O=C(OCC)C1=CN=CC(O)=C1 AK-38038 [1,1,0,0,0,0|1,0,0]=3 138 B12R1.17 O=C(OCC)C1=NC(Cl)=CC=C1 AK-76189 [1,1,0,0,0,0|1,0,0]=3 139 B12R1.17 O=C(OCC)C1=NC(N)=CC=C1 AK-41615 [1,1,0,0,0,0|1,0,0]=3 140 B12R1.17 O=C(OCC)C1=NC=CC(Br)=C1 AK-28555 [1,1,0,0,0,0|1,0,0]=3 141 B12R1.17 O=C(OCC)C1=NC=CC(Cl)=C1 AK121835 [1,1,0,0,0,0|1,0,0]=3 142 B12R1.17 O=C(OCC)C1=NC=CC(N)=C1 AK133247 [1,1,0,0,0,0|1,0,0]=3 143 B12R1.34 O=C(N(OC)C)C1=CC=CC=C1 AK-50042 [1,1,0,0,0,0|2,0,0]=4 144 B12R1.34 O=C(OC)C(C1=CC=CC=C1)=O AK-93755 [1,1,0,0,0,0|1,0,1]=4 145 B12R1.39 O=S(C1=CC=CC=C1)(OCC)=O AK129066 [1,1,0,0,0,0|1,0,0]=3 146 B12R1.107 CC(CC(C1=CC=CC=C1)=O)=O AK161752 [1,1,0,0,0,0|0,0,1]=3 147 B12R1.308 C(C)OC(C1=CN=CC=C1Cl)=O AK-29976 [1,1,0,0,0,0|1,0,0]=3 148 B12R1.308 C(OC(=O)C1=CN=CNC1=O)C AK-24103 [1,1,0,0,0,0|2,0,0]=4 149 B12R1.308 C1=CC=CC(=C1C(OCC)=O)F AK-46540 [1,1,0,0,0,0|0,0,0]=2 150 B12R1.308 C1=CC=NC(=C1C(OCC)=O)Cl AK-39200 [1,1,0,0,0,0|1,0,0]=3 151 B12R1.308 CCC[C@H](C1=CC=CC=C1C)N AK683690 [1,1,0,0,0,0|1,0,1]=4 152 B12R1.308 CCOC(=O)C1=C(C)N=CN=C1 AK-82588 [1,1,0,0,0,0|2,0,0]=4 153 B12R1.308 CCOC(=O)C1=CC=CN=C1Br AK-35509 [1,1,0,0,0,0|1,0,0]=3 154 B12R1.308 CCOC(=O)C1=CC=CN=C1C AK-25491 [1,1,0,0,0,0|1,0,0]=3 155 B12R1.308 ClC1=NC=NC=C1C(=O)OCC AK-24102 [1,1,0,0,0,0|2,0,0]=4 156 B12R1.308 NC1=C(C(=O)OCC)C=CC=N1 AK-23890 [1,1,0,0,0,0|1,0,0]=3 157 B12R1.308 NC1=C(C=CN=C1)C(=O)OCC AK-21982 [1,1,0,0,0,0|1,0,0]=3 158 B12R1.308 O=C(C1=CN=CN=C1N)OCC AK-30805 [1,1,0,0,0,0|2,0,0]=4 159 B12R1.308 O=C(C1=NC=CN=C1Cl)OCC AK-26615 [1,1,0,0,0,0|2,0,0]=4 160 B12R1.308 O=C(OCC)C1=CC=CC=C1Cl AK117233 [1,1,0,0,0,0|0,0,0]=2 161 B12R1.308 O=C(OCC)C1=CC=CC=C1I AK-94262 [1,1,0,0,0,0|0,0,0]=2 162 B12R1.308 O=C(OCC)C1=CC=CC=C1O AK114211 [1,1,0,0,0,0|0,0,0]=2 163 B12R1.308 O=C(OCC)C1=CC=NC=C1Cl AK167712 [1,1,0,0,0,0|1,0,0]=3 164 B12R1.308 O=C(OCC)C1=NC=CC=C1Br AK128513 [1,1,0,0,0,0|1,0,0]=3 165 B12R1.308 O=C(OCC)C1=NC=CC=C1N AK-76176 [1,1,0,0,0,0|1,0,0]=3 166 B12R1.308 O=C(OCC)C1=NC=CC=C1O AK126269 [1,1,0,0,0,0|1,0,0]=3 167 B12R1.1 CCCCCC1=CC=C(Br)C=C1 AK-50736 [1,1,0,0,0,0|1,0,1]=4 168 B12R1.1 NC1=CC=C(OCCCC)C=C1 AK-51310 [1,1,0,0,0,0|2,0,0]=4 169 B12R1.1 OC1=CC=C(CCCCC)C=C1 AK208719 [1,1,0,0,0,0|1,0,1]=4 170 B12R1.1 OC1=CC=C(OCCCC)C=C1 AK114215 [1,1,0,0,0,0|2,0,0]=4 171 B12R1.8 BrCCCCOC1=CC=CC=C1 AK145640 [1,1,0,0,0,0|2,0,0]=4 172 B12R1.8 BrCCCOCC1=CC=CC=C1 AK-47534 [1,1,0,0,0,0|0,0,1]=3 173 B12R1.8 NCCCNCC1=CC=CC=C1 AK-58979 [1,1,0,0,0,0|1,0,1]=4 174 B12R1.8 NCCCOCC1=CC=CC=C1 AK-33608 [1,1,0,0,0,0|0,0,1]=3 175 B12R1.8 OCCCOCC1=CC=CC=C1 AK-99881 [1,1,0,0,0,0|0,0,1]=3 176 B12R1.32 CCCC(CC1=CC=CC=C1)=O AK113874 [1,1,0,0,0,0|1,0,1]=4 177 B14R1.423 O=C(OCC(C)C)CC1=CC=CC=C1 AK113962 [0,1,0,0,0,1|0,0,0]=2 178 B14R1.29 O=C(OCC)CC(C1=CC=CC=C1)=O AK-72988 [0,2,0,0,0,0|1,0,1]=4 179 B14R1.19 CCCCOC(=O)C1=CC=C(N)C=C1 AK-41115 [0,2,0,0,0,0|0,0,0]=2 180 B14R1.19 O=C(OCCCC)C1=CC=C(O)C=C1 AK113821 [0,2,0,0,0,0|0,0,0]=2 181 B14R1.35 O=C(C1=CC=C(Cl)C=C1)C(OCC)=O AK-48175 [0,2,0,0,0,0|2,0,0]=4 182 B14R1.125 CC1=CC=C(C=C1)S(=O)(=O)OCCF AK-51315 [0,2,0,0,0,0|2,0,0]=4 183 B14R1.125 CC1=CC=C(S(=O)(OCCC)=O)C=C1 AK324945 [0,2,0,0,0,0|1,0,0]=3 184 B14R1.678 CN(C)CCC(=O)C1=CC=C(O)C=C1 AK-80834 [0,2,0,0,0,0|2,0,0]=4 185 B14R1.941 C(C=C)OC(C1=CC(=C(C=C1)N)F)=O AK-22078 [0,2,0,0,0,0|0,0,2]=4 186 B14R1.420 O=C(OCCN(C)C)C1=CC=CC=C1 AK139900 [0,2,0,0,0,0|0,0,0]=2 187 B14R1.420 OC(=O)CCCC(=O)C1=CC=CC=C1 AK-81827 [0,2,0,0,0,0|1,0,1]=4 188 B14R1.540 CC(C)C\C=C(C1=CC=CC=C1)\C=O AK307045 [0,2,0,0,0,0|1,0,0]=3 189 B14R1.160 O=C(OCC(C)=O)C1=CC=CC=C1N AK152077 [0,2,0,0,0,0|0,0,1]=3 190 B14R1.813 O=S(C1=CC=CC=C1)(NCC(O)C)=O AK114352 [0,2,0,0,0,0|2,0,0]=4 191 B14R1.3098 O=C(C1=CC=CC=C1)CC[N+](C)(C)C AK402196 [0,2,0,0,0,0|2,0,0]=4 192 B14R1.4230 NC1=C(C=CC=C1)[S](=O)(=O)NCCC AK-24310 [0,2,0,0,0,0|2,0,0]=4 193 B12R2.2 C1(C2=CC=CN=C2)=NCCO1 AK158900 [1,0,0,1,0,0|2,0,0]=4 194 B12R2.2 C1CNC(C1)C2=CC=CC=C2 AK-39010 [1,0,0,1,0,0|1,0,1]=4 195 B12R2.2 [C@H]1(C2=CC=CC=C2)NCCC1 AK129122 [1,0,0,1,0,0|1,0,1]=4 196 B12R2.2 [C@H]1(C2=CC=CC=C2)NCCC1 AK141955 [1,0,0,1,0,0|1,0,1]=4 197 B12R2.1081 C1=CC=CC2=C1C(=O)NCC2 AK-25321 [1,0,0,1,0,0|1,0,0]=3 198 B12R2.1081 N1=CC=CC2=C1C(CCC2)=O AK-29412 [1,0,0,1,0,0|1,0,0]=3 199 B12R2.1081 NC1CCCC2=C1C=CC=C2 AK-31970 [1,0,0,1,0,0|1,0,1]=4 200 B12R2.1081 NC1CCCC2=C1C=CC=C2 AK-81453 [1,0,0,1,0,0|1,0,1]=4 201 B12R2.1081 N[C@@H]1CCCC2=C1C=CC=C2 AK105266 [1,0,0,1,0,0|1,0,1]=4 202 B12R2.1081 O=C1CCCC2=C1C=CC=C2 AK-43970 [1,0,0,1,0,0|0,0,0]=2 203 B12R2.1081 O=C1CCCC2=C1C=CC=N2 AK-26084 [1,0,0,1,0,0|1,0,0]=3 204 B12R2.1081 O=C1CCCC2=C1C=NC=C2 AK149492 [1,0,0,1,0,0|1,0,0]=3 205 B12R2.1081 O=C1CCNC2=C1C=CC=C2 AK-77367 [1,0,0,1,0,0|1,0,0]=3 206 B12R2.1081 O=C1CCOC2=C1C=CC=C2 AK-46406 [1,0,0,1,0,0|1,0,0]=3 207 B12R2.1081 O=C1CCOC2=CC=CN=C21 AK-30399 [1,0,0,1,0,0|2,0,0]=4 208 B12R2.1081 O=C1NCCC2=C1N=CC=C2 AK119860 [1,0,0,1,0,0|2,0,0]=4 209 B12R2.1081 O=C1OCCC2=C1C=CC=C2 AK-84484 [1,0,0,1,0,0|0,0,0]=2 210 B12R2.1081 OC1CCCC2=C1C=CC=C2 AK-50542 [1,0,0,1,0,0|0,0,2]=4 211 B12R2.1081 [C@H]1(C2=CC=CC=C2CCC1)N AK-34256 [1,0,0,1,0,0|1,0,1]=4 212 B12R2.2028 BrC1CC(=O)C2=C1C=CC=C2 AK-32505 [1,0,0,1,0,0|1,0,0]=3 213 B12R2.2028 O=C1CC(C2=C1C=CC=C2)=O AK307475 [1,0,0,1,0,0|1,0,1]=4 214 B12R2.2028 O=C1NC(N)C2=C1C=CC=C2 AK158160 [1,0,0,1,0,0|2,0,0]=4 215 B12R2.2028 O=C1NN(C)C2=C1C=CC=C2 AK155423 [1,0,0,1,0,0|2,0,0]=4 216 B12R2.2028 O=C1OC(O)C2=C1C=CC=C2 AK607884 [1,0,0,1,0,0|1,0,0]=3 217 B12R2.41 C12=CC=CC=C1CNCCC2 AK-36214 [1,0,0,1,0,0|1,0,1]=4 218 B12R2.41 N1CCCCC2=C1C=CC=C2 AK-21952 [1,0,0,1,0,0|2,0,0]=4 219 B12R2.221 O=C1C2=CC=CN2C(C)CN1 AK-38830 [0,0,0,1,1,0|2,0,0]=4 220 B14R2.517 NC1=NC2=CC=CC=C2N1CCC AK-95788 [0,0,0,1,0,1|2,0,0]=4 221 B14R2.21 N[C@H]1C[C@H](C2=CC=CC=C2)OCC1 AK120843 [0,1,0,1,0,0|1,0,1]=4 222 B14R2.68 O[C@H]1CO[C@@H](C2=CC=CC=C2)OC1 AK-51339 [0,1,0,1,0,0|0,0,2]=4 223 B14R2.8719 O=C1C2=CC=C(Br)C=C2OCCC1 AK103132 [0,1,0,1,0,0|2,0,0]=4 224 B14R2.8719 O=C1CCCCC2=CC(N)=CC=C21 AK103172 [0,1,0,1,0,0|1,0,0]=3 225 B14R2.685 O=C1CCCCC2=C(N)C=CC=C21 AK116878 [0,1,0,1,0,0|1,0,0]=3 226 B14R2.5637 BrC1=CC2=C(OCCCC2=O)C=C1 AK-81692 [0,1,0,1,0,0|2,0,0]=4 227 B14R2.5637 BrC1=CC=C2CCCCC(=O)C2=C1 AK-84594 [0,1,0,1,0,0|1,0,0]=3 228 B14R2.5637 ClC1=CC2=C(NCCCC2=O)C=C1 AK-29885 [0,1,0,1,0,0|2,0,0]=4 229 B14R2.114 O=C(C1=CC=CC=C1)C2CNCC2 AK199238 [0,1,0,1,0,0|1,0,0]=3 230 B10R1.11 C1=C(C(=O)OCC)SC=N1 AK-29162 [1,0,0,0,1,0|2,0,0]=4 231 B10R1.11 C1=C([NH]C=N1)C(OCC)=O AK-25642 [1,0,0,0,1,0|2,0,0]=4 232 B10R1.11 C1=C[NH]C(=N1)C(OCC)=O AK-39974 [1,0,0,0,1,0|2,0,0]=4 233 B10R1.11 C1=N[NH]C=C1C(OCC)=O AK-27126 [1,0,0,0,1,0|2,0,0]=4 234 B10R1.11 CCOC(=O)C1=CC=CN1 AK-25609 [1,0,0,0,1,0|1,0,0]=3 235 B10R1.11 CCOC(=O)C1=CNC=C1 AK-41135 [1,0,0,0,1,0|1,0,0]=3 236 B10R1.11 O=C(C1=CC=NO1)OCC AK-68489 [1,0,0,0,1,0|2,0,0]=4 237 B10R1.11 O=C(C1=COC=N1)OCC AK-28248 [1,0,0,0,1,0|2,0,0]=4 238 B10R1.11 O=C(C1=NC=CO1)OCC AK-68691 [1,0,0,0,1,0|2,0,0]=4 239 B10R1.11 O=C(C1=NNC=C1)OCC AK-45333 [1,0,0,0,1,0|2,0,0]=4 240 B14R1.156 BrCCNC(=O)OCC1=CC=CC=C1 AK-41250 [0,0,0,0,0,2|2,0,0]=4 241 B14R1.156 O=C(OCC1=CC=CC=C1)CCCBr AK116323 [0,0,0,0,0,2|2,0,0]=4 242 B14R1.156 O=C(OCC1=CC=CC=C1)CCCN AK-87747 [0,0,0,0,0,2|2,0,0]=4 243 B14R1.156 O=C(OCC1=CC=CC=C1)NCCN AK-43139 [0,0,0,0,0,2|2,0,0]=4 244 B14R1.156 O=C(OCC1=CC=CC=C1)NCCO AK-90111 [0,0,0,0,0,2|2,0,0]=4 245 B14R1.156 O=C(OCC=C)\C=C\C1=CC=CC=C1 AK114249 [0,0,0,0,0,2|0,0,2]=4