0 B12R1.252 CC(=O)CCSC1=CC=CC=C1 AC-17748 [0,0,0,0,0,0|2,0,0]=2 1 B12R1.252 CC(=O)OCCC1=CC=CC=C1 AC-18657 [0,0,0,0,0,0|2,0,0]=2 2 B12R1.252 CC(=O)OCCC1=NC=CC=C1 AC-20554 [0,0,0,0,0,0|3,0,0]=3 3 B12R1.252 N=C(N)CCCC1=CC=CN=C1 AC-5299 [0,0,0,0,0,0|3,0,0]=3 4 B12R1.252 O=C(O)CCCC1=CC=CC=C1 AC-3254 [0,0,0,0,0,0|0,0,0]=0 5 B12R1.252 O=C(O)CCCC1=NC=CC=C1 AC-4763 [0,0,0,0,0,0|1,0,0]=1 6 B12R1.252 O=C(O)CCOC1=CC=CC=C1 AC-16675 [0,0,0,0,0,0|1,0,0]=1 7 B12R1.252 O=C(O)CNCC1=CC=CC=C1 AC-19213 [0,0,0,0,0,0|1,0,0]=1 8 B12R1.252 O=C(O)CNCC1=CC=CC=C1 AC-2979 [0,0,0,0,0,0|1,0,0]=1 9 B12R1.252 O=C(O)COCC1=CC=CC=C1 AC-20344 [0,0,0,0,0,0|1,0,0]=1 10 B11R1.28 BrCCCCC1=CC=CC=C1 AC-16206 [1,0,0,0,0,0|1,0,1]=3 11 B11R1.28 BrCCCOC1=CC=CC=C1 AC-20351 [1,0,0,0,0,0|2,0,1]=4 12 B11R1.28 BrCCOCC1=CC=CC=C1 AC-30867 [1,0,0,0,0,0|2,0,1]=4 13 B11R1.28 ClCCCCC1=CC=NC=C1 AC-27062 [1,0,0,0,0,0|2,0,1]=4 14 B11R1.28 ClCCOCC1=CC=CC=C1 AC-20352 [1,0,0,0,0,0|2,0,1]=4 15 B11R1.28 NCCOCC1=CC=CC=C1 AC-23189 [1,0,0,0,0,0|2,0,1]=4 16 B11R1.28 NCCOCC1=CC=CC=C1 AC-23229 [1,0,0,0,0,0|2,0,1]=4 17 B11R1.28 OCCCCC1=CC=CC=C1 AC-23988 [1,0,0,0,0,0|0,0,1]=2 18 B11R1.28 OCCCCC1=CC=NC=C1 AC-8870 [1,0,0,0,0,0|1,0,1]=3 19 B11R1.28 OCCCNC1=NC=CC=C1 AC-17666 [1,0,0,0,0,0|2,0,1]=4 20 B11R1.28 S=C=NCCC1=CC=CC=C1 AC-12769 [1,0,0,0,0,0|1,1,1]=4 21 B13R1.45 CC(=O)CCN(C)C1=CC=CC=C1 AC-17740 [0,1,0,0,0,0|2,0,0]=3 22 B13R1.45 CC(=O)NCC(=O)C1=CC=CC=C1 AC-22358 [0,1,0,0,0,0|2,0,1]=4 23 B13R1.45 N[C@H](CCC(=O)O)C1=CC=CC=C1 AC-29370 [0,1,0,0,0,0|0,0,0]=1 24 B13R1.45 O=C(O)CCC(=O)C1=CC=CC=C1 AC-31093 [0,1,0,0,0,0|0,0,1]=2 25 B13R1.45 O=C(O)\C=C\C(=O)C1=CC=CC=C1 AC-14424 [0,1,0,0,0,0|0,0,3]=4 26 B13R1.149 O=C(O)CCCC1=CC(Br)=CC=C1 AC-25647 [0,1,0,0,0,0|0,0,0]=1 27 B13R1.348 NC(CC(=O)O)CC1=CC=CC=C1 AC-10130 [0,1,0,0,0,0|0,0,0]=1 28 B13R1.348 N[C@@H](CC(=O)O)CC1=CC=CC=C1 AC-5697 [0,1,0,0,0,0|0,0,0]=1 29 B13R1.348 N[C@@H](CC(=O)O)CC1=CC=CC=C1 AC-5895 [0,1,0,0,0,0|0,0,0]=1 30 B13R1.351 NC(CCC1=CC=CN=C1)C(=O)O AC-13268 [0,1,0,0,0,0|1,0,0]=2 31 B13R1.351 N[C@@H](CCC1=CC=CC=C1)C(=O)O AC-22367 [0,1,0,0,0,0|0,0,0]=1 32 B13R1.351 N[C@@H](CCC1=CC=CC=C1)C(=O)O AC-9967 [0,1,0,0,0,0|0,0,0]=1 33 B13R1.351 N[C@@H](CSC1=CC=CC=C1)C(=O)O AC-10075 [0,1,0,0,0,0|1,0,0]=2 34 B13R1.351 N[C@H](CCC1=CC=CC=C1)C(=O)O AC-9968 [0,1,0,0,0,0|0,0,0]=1 35 B13R1.351 O=C(O)C(=O)CCC1=CC=CC=C1 AC-3539 [0,1,0,0,0,0|0,0,1]=2 36 B13R1.351 O=C(O)[C@H](O)CCC1=CC=CC=C1 AC-6643 [0,1,0,0,0,0|0,0,0]=1 37 B13R1.513 CC1=CC=C(CCCC(=O)O)C=C1 AC-31092 [0,1,0,0,0,0|0,0,0]=1 38 B13R1.513 O=C(O)CCCC1=CC=C(Br)C=C1 AC-31095 [0,1,0,0,0,0|0,0,0]=1 39 B13R1.513 O=C(O)CCCC1=CC=C(Cl)C=C1 AC-31094 [0,1,0,0,0,0|0,0,0]=1 40 B13R1.513 O=C(O)CCOC1=CC=C(F)C=C1 AC-14117 [0,1,0,0,0,0|1,0,0]=2 41 B13R1.718 NCC(=O)NOCC1=CC=CC=C1 AC-13401 [0,1,0,0,0,0|3,0,0]=4 42 B13R1.718 O=C(CCl)OCCC1=CC=CC=C1 AC-18659 [0,1,0,0,0,0|2,0,0]=3 43 B13R1.3523 O=S(=O)(O)CCNC1=CC=CC=C1 AC-14438 [0,1,0,0,0,0|2,0,0]=3 44 B13R1.3523 O=S(=O)([O-])CCC[N+]1=CC=CC=C1 AC-32135 [0,1,0,0,0,0|2,0,1]=4 45 B13R2.10 O=C1N[C@@H](C2=CC=CC=C2)CO1 AC-8429 [0,0,0,1,0,0|2,0,0]=3 46 B13R2.10 O=C1N[C@H](C2=CC=CC=C2)CO1 AC-26759 [0,0,0,1,0,0|2,0,0]=3 47 B13R2.31 OC1CN(CC2=CC=CC=C2)C1 AC-26724 [0,0,0,1,0,0|2,0,1]=4 48 B13R2.72 CC(=O)N1CCC2=CC=CC=C21 AC-23381 [0,0,0,1,0,0|2,0,0]=3 49 B13R2.72 O=C(O)C1=C2C=CC=CC2=NO1 AC-26514 [0,0,0,1,0,0|2,0,1]=4 50 B13R2.72 O=C(O)C1=CNC2=CC=CC=C21 AC-2264 [0,0,0,1,0,0|1,0,2]=4 51 B13R2.72 O=C(O)C1=CSC2=CC=CC=C21 AC-24589 [0,0,0,1,0,0|1,0,2]=4 52 B13R2.72 O=C(O)C1=NNC2=CC=CC=C21 AC-1391 [0,0,0,1,0,0|2,0,1]=4 53 B13R2.72 O=C(O)C1CNC2=C1C=CC=C2 AC-23375 [0,0,0,1,0,0|1,0,0]=2 54 B13R2.163 O=C1CCCC2=C(C=CC=C2)N1 AC-9377 [0,0,0,1,0,0|1,0,0]=2 55 B13R2.423 O=C(O)C1CC1C2=NC=CC=C2 AC-29519 [0,0,0,1,0,0|1,0,0]=2 56 B13R2.2382 C1=CC=C(COC[C@@H]2CO2)C=C1 AC-980 [0,0,0,1,0,0|2,0,1]=4 57 B13R2.2382 C1=CC=C(COC[C@H]2CO2)C=C1 AC-7034 [0,0,0,1,0,0|2,0,1]=4 58 B11R1.91 CC(=O)OCC1=CC=CN=C1 AC-17940 [0,0,0,0,1,0|3,0,0]=4 59 B11R1.91 CC(N)CCC1=CC=CC=C1 AC-8354 [0,0,0,0,1,0|2,0,1]=4 60 B11R1.91 N=C(N)COC1=CC=CC=C1 AC-7102 [0,0,0,0,1,0|3,0,0]=4 61 B11R1.91 NC(=O)NCC1=CC=CC=C1 AC-6165 [0,0,0,0,1,0|2,0,0]=3 62 B11R1.91 NC(=S)NCC1=CC=CC=C1 AC-17452 [0,0,0,0,1,0|2,1,0]=4 63 B11R1.91 O=C(O)CCC1=NC=CC=C1 AC-23589 [0,0,0,0,1,0|1,0,0]=2 64 B11R1.91 O=C(O)CNC1=CC=CC=C1 AC-13995 [0,0,0,0,1,0|1,0,0]=2 65 B11R1.91 O=C(O)COC1=CC=CC=N1 AC-4327 [0,0,0,0,1,0|2,0,0]=3 66 B11R1.91 O=C(O)\C=C\C1=CC=CC=C1 AC-34658 [0,0,0,0,1,0|0,0,2]=3 67 B11R1.91 O=C([O-])COC1=CC=CC=C1 AC-13765 [0,0,0,0,1,0|1,0,1]=3 68 B11R1.91 OB(O)CCC1=CC=CC=C1 AC-5344 [0,0,0,0,1,0|1,0,1]=3 69 B11R1.172 O=C(O)CCCC1=CC=CS1 AC-29236 [0,0,0,0,1,0|1,0,0]=2 70 B11R1.172 O=C(O)CCCN1C=NC=N1 AC-14372 [0,0,0,0,1,0|3,0,0]=4 71 B13R1.337 CC(=O)CCNCC1=CC=CC=C1 AC-17741 [0,0,0,0,0,1|1,0,0]=2 72 B13R1.337 CC(=O)OC\C=C\C1=CC=CC=C1 AC-34936 [0,0,0,0,0,1|1,0,2]=4 73 B13R1.337 NC(=O)OCCCC1=CC=CC=C1 AC-32475 [0,0,0,0,0,1|1,0,0]=2 74 B10R1.17 BrCCOC1=CC=CC=C1 AC-1946 [2,0,0,0,0,0|2,0,0]=4 75 B10R1.17 C=CCCC1=CC=CC=C1 AC-16193 [2,0,0,0,0,0|0,0,1]=3 76 B10R1.17 CCCCC1=CC=CN=C1 AC-7560 [2,0,0,0,0,0|1,0,1]=4 77 B10R1.17 CCCCC1=NC=CC=C1 AC-7561 [2,0,0,0,0,0|1,0,1]=4 78 B10R1.17 CNCCC1=CC=CC=C1 AC-2677 [2,0,0,0,0,0|1,0,1]=4 79 B10R1.17 ClCCOC1=CC=CC=C1 AC-15744 [2,0,0,0,0,0|2,0,0]=4 80 B10R1.17 NCCNC1=CC=CC=C1 AC-25457 [2,0,0,0,0,0|2,0,0]=4 81 B10R1.17 NCCOC1=CC=CC=C1 AC-15743 [2,0,0,0,0,0|2,0,0]=4 82 B10R1.17 OCCCC1=CC=CC=C1 AC-14708 [2,0,0,0,0,0|0,0,0]=2 83 B12R1.8 BrCCCOCC1=CC=CC=C1 AC-25475 [1,1,0,0,0,0|1,0,1]=4 84 B12R1.8 OCCCNCC1=CC=CC=C1 AC-7182 [1,1,0,0,0,0|0,0,1]=3 85 B12R1.8 OCCCOCC1=CC=CC=C1 AC-25474 [1,1,0,0,0,0|0,0,1]=3 86 B12R1.30 CNCCC(O)C1=CC=CC=C1 AC-1834 [1,1,0,0,0,0|2,0,0]=4 87 B12R1.30 CNCC[C@@H](O)C1=CC=CC=C1 AC-5330 [1,1,0,0,0,0|2,0,0]=4 88 B12R1.30 CNCC[C@H](O)C1=CC=CC=C1 AC-5329 [1,1,0,0,0,0|2,0,0]=4 89 B12R1.32 CN(CCO)CC1=CC=CC=C1 AC-5627 [1,1,0,0,0,0|1,0,1]=4 90 B12R1.21 CC(=O)CCC1=CC=C(O)C=C1 AC-24193 [0,1,0,0,1,0|1,0,0]=3 91 B12R1.21 CC1=CC=C(\C=C\C(=O)O)C=C1 AC-2401 [0,1,0,0,1,0|0,0,2]=4 92 B12R1.21 O=C(O)CCC1=CC=C(Br)C=C1 AC-8263 [0,1,0,0,1,0|0,0,0]=2 93 B12R1.21 O=C(O)CCC1=CC=C(F)C=C1 AC-7414 [0,1,0,0,1,0|0,0,0]=2 94 B12R1.21 O=C(O)CCC1=CC=C(O)C=C1 AC-5144 [0,1,0,0,1,0|0,0,0]=2 95 B12R1.21 O=C(O)COC1=CC=C(Cl)C=C1 AC-10963 [0,1,0,0,1,0|1,0,0]=3 96 B12R1.21 O=C(O)COC1=CC=C(I)C=C1 AC-10148 [0,1,0,0,1,0|1,0,0]=3 97 B12R1.21 O=C(O)\C=C\C1=CC=C(Br)C=C1 AC-10323 [0,1,0,0,1,0|0,0,2]=4 98 B12R1.21 O=C(O)\C=C\C1=CC=C(Cl)C=C1 AC-10322 [0,1,0,0,1,0|0,0,2]=4 99 B12R1.21 O=C(O)\C=C\C1=CC=C(F)C=C1 AC-10329 [0,1,0,0,1,0|0,0,2]=4 100 B12R1.21 O=C(O)\C=C\C1=CC=C(O)C=C1 AC-34130 [0,1,0,0,1,0|0,0,2]=4 101 B12R1.21 O=C(O)\C=C\C1=CC=C(O)C=C1 AC-34133 [0,1,0,0,1,0|0,0,2]=4 102 B12R1.43 NC(=O)C(N)CC1=CC=CC=C1 AC-19229 [0,1,0,0,1,0|1,0,0]=3 103 B12R1.43 NC(CC1=CC=CC=C1)C(=O)O AC-24032 [0,1,0,0,1,0|0,0,0]=2 104 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O AC-22417 [0,1,0,0,1,0|0,0,0]=2 105 B12R1.43 N[C@@H](CC1=CC=CN=C1)C(=O)O AC-10472 [0,1,0,0,1,0|1,0,0]=3 106 B12R1.43 N[C@@H](CC1=CC=NC=C1)C(=O)O AC-9961 [0,1,0,0,1,0|1,0,0]=3 107 B12R1.43 N[C@@H](CC1=CN=CC=C1)C(=O)O AC-9955 [0,1,0,0,1,0|1,0,0]=3 108 B12R1.43 N[C@@H](CC1=NC=CC=C1)C(=O)O AC-5878 [0,1,0,0,1,0|1,0,0]=3 109 B12R1.43 N[C@H](CC1=CC=CC=C1)C(=O)O AC-11292 [0,1,0,0,1,0|0,0,0]=2 110 B12R1.43 N[C@H](CC1=CC=CC=C1)C(=O)O AC-8664 [0,1,0,0,1,0|0,0,0]=2 111 B12R1.43 N[C@H](CC1=CC=CC=N1)C(=O)O AC-5879 [0,1,0,0,1,0|1,0,0]=3 112 B12R1.43 N[C@H](CC1=CC=CN=C1)C(=O)O AC-9956 [0,1,0,0,1,0|1,0,0]=3 113 B12R1.43 N[C@H](CC1=CC=NC=C1)C(=O)O AC-9962 [0,1,0,0,1,0|1,0,0]=3 114 B12R1.43 O=C(O)C(=O)CC1=CC=CC=C1 AC-116009 [0,1,0,0,1,0|0,0,1]=3 115 B12R1.43 O=C(O)[C@@H](O)CC1=CC=CC=C1 AC-5645 [0,1,0,0,1,0|0,0,0]=2 116 B12R1.43 O=C(O)[C@H](O)CC1=CC=CC=C1 AC-5644 [0,1,0,0,1,0|0,0,0]=2 117 B12R1.43 O=C([O-])C(=O)CC1=CC=CC=C1 AC-5733 [0,1,0,0,1,0|0,0,2]=4 118 B12R1.43 [C@H](N)(CC1=NC=CC=C1)C(=O)O AC-19148 [0,1,0,0,1,0|1,0,0]=3 119 B12R1.107 CN(CC(=O)O)C1=CC=CC=C1 AC-4753 [0,1,0,0,1,0|1,0,0]=3 120 B12R1.107 NC(CC(=O)O)C1=CC=CC=C1 AC-5721 [0,1,0,0,1,0|0,0,0]=2 121 B12R1.107 NC(CC(=O)O)C1=CN=CC=C1 AC-5724 [0,1,0,0,1,0|1,0,0]=3 122 B12R1.107 N[C@@H](CC(=O)O)C1=CC=CC=C1 AC-5693 [0,1,0,0,1,0|0,0,0]=2 123 B12R1.107 N[C@H](CC(=O)O)C1=CC=CC=C1 AC-27002 [0,1,0,0,1,0|0,0,0]=2 124 B12R1.107 N[C@H](CC(=O)O)C1=CC=CC=C1 AC-5692 [0,1,0,0,1,0|0,0,0]=2 125 B12R1.107 N[C@H](CC(=O)O)C1=CC=CC=C1 AC-6588 [0,1,0,0,1,0|0,0,0]=2 126 B12R1.107 O=C(O)CC(O)C1=CC=CC=C1 AC-23820 [0,1,0,0,1,0|0,0,0]=2 127 B12R1.125 O=C(O)CCC1=CC=CC=C1Br AC-5447 [0,1,0,0,1,0|0,0,0]=2 128 B12R1.125 O=C(O)CCC1=CC=CC=C1F AC-14114 [0,1,0,0,1,0|0,0,0]=2 129 B12R1.125 O=C(O)COC1=CC=CC=C1Br AC-19723 [0,1,0,0,1,0|1,0,0]=3 130 B12R1.125 O=C(O)\C=C\C1=C(F)C=CC=C1 AC-14118 [0,1,0,0,1,0|0,0,2]=4 131 B12R1.226 NC1=CC=CC(CCC(=O)O)=C1 AC-12284 [0,1,0,0,1,0|0,0,0]=2 132 B12R1.226 O=C(O)CCC1=CC=CC(Cl)=C1 AC-30053 [0,1,0,0,1,0|0,0,0]=2 133 B12R1.226 O=C(O)CCC1=CC=CC(F)=C1 AC-14115 [0,1,0,0,1,0|0,0,0]=2 134 B12R1.226 O=C(O)\C=C\C1=CC=CC(Cl)=C1 AC-14172 [0,1,0,0,1,0|0,0,2]=4 135 B12R1.226 O=C(O)\C=C\C1=CC=CC(F)=C1 AC-3070 [0,1,0,0,1,0|0,0,2]=4 136 B12R1.226 O=C(O)\C=C\C1=CC=CC(O)=C1 AC-16619 [0,1,0,0,1,0|0,0,2]=4 137 B12R1.54 O=C(O)CCC(=O)C1=CC=CS1 AC-7356 [0,1,0,0,1,0|1,0,1]=4 138 B12R1.260 O=C(O)CS(=O)CC1=CC=CO1 AC-5763 [0,1,0,0,1,0|2,0,0]=4 139 B12R1.477 COC(=O)CSCC1=CC=CO1 AC-20343 [0,1,0,0,1,0|2,0,0]=4 140 B14R1.818 NC(CCC1=CC=CC=C1)CC(=O)O AC-23539 [0,1,0,0,0,1|0,0,0]=2 141 B14R1.818 N[C@@H](CCC1=CC=CC=C1)CC(=O)O AC-22141 [0,1,0,0,0,1|0,0,0]=2 142 B14R1.818 N[C@H](CCC1=CC=CC=C1)CC(=O)O AC-22142 [0,1,0,0,0,1|0,0,0]=2 143 B14R1.818 O=C([O-])CC(=O)OCC1=CC=CC=C1 AC-18256 [0,1,0,0,0,1|0,0,2]=4 144 B14R1.6449 C[C@@H](N\C=C\C1=CC=CC=C1)C(=O)O AC-5874 [0,1,0,0,0,1|0,0,2]=4 145 B14R1.6449 C[C@H](N\C=C\C1=CC=CC=C1)C(=O)O AC-5875 [0,1,0,0,0,1|0,0,2]=4 146 B14R1.6449 N[C@@H](CCCC1=CC=CC=C1)C(=O)O AC-9943 [0,1,0,0,0,1|0,0,0]=2 147 B14R1.6449 N[C@H](CCCC1=CC=CC=C1)C(=O)O AC-9944 [0,1,0,0,0,1|0,0,0]=2 148 B14R1.6449 [C@@H](N)(CNCC1=CC=CC=C1)C(=O)O AC-4464 [0,1,0,0,0,1|0,0,0]=2 149 B14R1.6449 [C@H](N)(CSCC1=CC=CC=C1)C(=O)O AC-18496 [0,1,0,0,0,1|0,0,0]=2 150 B14R1.163 COC(=O)CCC(=O)C1=CC=CC=C1 AC-26562 [0,2,0,0,0,0|0,0,1]=3 151 B14R1.415 O=C(NC(O)C(=O)O)C1=CC=CC=C1 AC-5720 [0,2,0,0,0,0|1,0,1]=4 152 B14R1.678 CC1=CC=C(C(=O)CCC(=O)O)C=C1 AC-16655 [0,2,0,0,0,0|0,0,1]=3 153 B14R1.678 NC1=CC=C(C(=O)NCC(=O)O)C=C1 AC-29237 [0,2,0,0,0,0|1,0,1]=4 154 B14R1.678 O=C(O)CCC(=O)C1=CC=C(Cl)C=C1 AC-17842 [0,2,0,0,0,0|0,0,1]=3 155 B14R1.5978 CC1=CC(C[C@@H](N)CC(=O)O)=CC=C1 AC-22229 [0,2,0,0,0,0|0,0,0]=2 156 B14R1.5978 CC1=CC(C[C@H](N)CC(=O)O)=CC=C1 AC-22228 [0,2,0,0,0,0|0,0,0]=2 157 B14R1.5978 N[C@@H](CC(=O)O)CC1=CC=CC(Cl)=C1 AC-22157 [0,2,0,0,0,0|0,0,0]=2 158 B14R1.5978 N[C@@H](CC(=O)O)CC1=CC=CC(F)=C1 AC-22202 [0,2,0,0,0,0|0,0,0]=2 159 B14R1.5978 N[C@H](CC(=O)O)CC1=CC=CC(Cl)=C1 AC-22156 [0,2,0,0,0,0|0,0,0]=2 160 B14R1.5978 N[C@H](CC(=O)O)CC1=CC=CC(F)=C1 AC-22201 [0,2,0,0,0,0|0,0,0]=2 161 B14R1.337 CC1=CC=CC=C1C[C@@H](N)CC(=O)O AC-22223 [0,2,0,0,0,0|0,0,0]=2 162 B14R1.337 CC1=CC=CC=C1C[C@H](N)CC(=O)O AC-22222 [0,2,0,0,0,0|0,0,0]=2 163 B14R1.337 N[C@@H](CC(=O)O)CC1=C(Br)C=CC=C1 AC-25446 [0,2,0,0,0,0|0,0,0]=2 164 B14R1.337 N[C@@H](CC(=O)O)CC1=CC=CC=C1Cl AC-22151 [0,2,0,0,0,0|0,0,0]=2 165 B14R1.337 N[C@H](CC(=O)O)CC1=C(Br)C=CC=C1 AC-25445 [0,2,0,0,0,0|0,0,0]=2 166 B14R1.337 N[C@H](CC(=O)O)CC1=C(F)C=CC=C1 AC-22197 [0,2,0,0,0,0|0,0,0]=2 167 B14R1.337 N[C@H](CC(=O)O)CC1=CC=CC=C1Cl AC-22150 [0,2,0,0,0,0|0,0,0]=2 168 B14R1.425 N[C@H](CC1=CC=CC=C1)[C@H](O)C(=O)O AC-6750 [0,2,0,0,0,0|0,0,0]=2 169 B14R1.425 N[C@H](CC1=CC=CC=C1)[C@H](O)C(=O)O AC-6924 [0,2,0,0,0,0|0,0,0]=2 170 B14R1.698 CC1=CC=C(C[C@@H](N)CC(=O)O)C=C1 AC-22235 [0,2,0,0,0,0|0,0,0]=2 171 B14R1.698 CC1=CC=C(C[C@H](N)CC(=O)O)C=C1 AC-22234 [0,2,0,0,0,0|0,0,0]=2 172 B14R1.698 NC(CC(=O)O)CC1=CC=C(O)C=C1 AC-30076 [0,2,0,0,0,0|0,0,0]=2 173 B14R1.698 N[C@@H](CC(=O)O)CC1=CC=C(Cl)C=C1 AC-22162 [0,2,0,0,0,0|0,0,0]=2 174 B14R1.698 N[C@@H](CC(=O)O)CC1=CC=C(I)C=C1 AC-22217 [0,2,0,0,0,0|0,0,0]=2 175 B14R1.698 N[C@H](CC(=O)O)CC1=CC=C(Br)C=C1 AC-22147 [0,2,0,0,0,0|0,0,0]=2 176 B14R1.698 N[C@H](CC(=O)O)CC1=CC=C(Cl)C=C1 AC-1845 [0,2,0,0,0,0|0,0,0]=2 177 B14R1.698 N[C@H](CC(=O)O)CC1=CC=C(F)C=C1 AC-22207 [0,2,0,0,0,0|0,0,0]=2 178 B14R1.698 N[C@H](CC(=O)O)CC1=CC=C(I)C=C1 AC-22216 [0,2,0,0,0,0|0,0,0]=2 179 B14R1.743 COC(=O)CC(N)CC1=CC=CC=C1 AC-33634 [0,2,0,0,0,0|0,0,0]=2 180 B14R1.679 N[C@@H](CCC1=CC=C(O)C=C1)C(=O)O AC-10485 [0,2,0,0,0,0|0,0,0]=2 181 B14R1.679 [C@H](N)(CCC1=CC=C(O)C=C1)C(=O)O AC-19160 [0,2,0,0,0,0|0,0,0]=2 182 B14R1.4 COC1=CC=C(CCCC(=O)O)C=C1 AC-3356 [0,2,0,0,0,0|0,0,0]=2 183 B14R1.13 COC(=O)CCCC1=CC=C(N)C=C1 AC-20513 [0,2,0,0,0,0|0,0,0]=2 184 B14R1.520 CCOC(=O)CCNC1=NC=CC=C1 AC-7902 [0,2,0,0,0,0|2,0,0]=4 185 B14R1.520 CCOC(=O)CNCC1=CC=CC=C1 AC-25476 [0,2,0,0,0,0|1,0,0]=3 186 B12R2.2 C1=CC=C(C2CCCN2)C=C1 AC-2231 [1,0,0,1,0,0|1,0,1]=4 187 B12R2.2 C1=CC=C(C2CCNC2)C=C1 AC-33677 [1,0,0,1,0,0|2,0,0]=4 188 B12R2.2 C1=CC=C([C@@H]2CCCN2)C=C1 AC-22416 [1,0,0,1,0,0|1,0,1]=4 189 B12R2.41 C1=CC=C2NCCCCC2=C1 AC-25813 [1,0,0,1,0,0|1,0,1]=4 190 B12R2.1081 NC1CCCC2=CC=CC=C21 AC-5739 [1,0,0,1,0,0|1,0,1]=4 191 B12R2.1081 NC1CCCC2=CC=CC=C21 AC-5740 [1,0,0,1,0,0|1,0,1]=4 192 B12R2.1081 N[C@@H]1CCCC2=C1C=CC=C2 AC-26800 [1,0,0,1,0,0|1,0,1]=4 193 B12R2.1081 N[C@H]1CCCC2=C1C=CC=C2 AC-26799 [1,0,0,1,0,0|1,0,1]=4 194 B12R2.1081 O=C1CCCC2=C1C=CC=C2 AC-6869 [1,0,0,1,0,0|0,0,0]=2 195 B12R2.1081 O=C1CCCC2=C1C=CN=C2 AC-29591 [1,0,0,1,0,0|1,0,0]=3 196 B12R2.1081 O=C1CCCC2=C1C=NC=C2 AC-27428 [1,0,0,1,0,0|1,0,0]=3 197 B12R2.1081 O=C1CCCC2=CC=CN=C12 AC-346 [1,0,0,1,0,0|1,0,0]=3 198 B12R2.1081 O=C1CCNC2=C1C=CC=C2 AC-29666 [1,0,0,1,0,0|1,0,0]=3 199 B12R2.1081 O=C1CCOC2=CC=CC=C12 AC-3079 [1,0,0,1,0,0|1,0,0]=3 200 B12R2.1081 O=C1COCC2=CC=CC=C12 AC-30171 [1,0,0,1,0,0|1,0,0]=3 201 B12R2.1081 O=C1NCCC2=CC=CC=C12 AC-5218 [1,0,0,1,0,0|1,0,0]=3 202 B12R2.1081 OC1CCCC2=CC=CN=C21 AC-780 [1,0,0,1,0,0|1,0,1]=4 203 B12R2.2057 C1=CC=C(OC[C@@H]2CO2)C=C1 AC-18289 [1,0,0,1,0,0|1,0,1]=4 204 B12R2.2057 C1=CC=C(OC[C@H]2CO2)C=C1 AC-18290 [1,0,0,1,0,0|1,0,1]=4 205 B12R2.24 O=C1CCC2=C(C=CC=C2)C1 AC-27927 [0,0,0,1,1,0|1,0,0]=3 206 B12R2.24 O=C1CCC2=CC=CC=C2N1 AC-3329 [0,0,0,1,1,0|1,0,0]=3 207 B12R2.24 O=C1CCC2=CC=CC=C2O1 AC-34197 [0,0,0,1,1,0|0,0,0]=2 208 B12R2.24 O=C1CNC2=C(C=CC=C2)N1 AC-29525 [0,0,0,1,1,0|2,0,0]=4 209 B12R2.24 O=C1COC2=CC=CC=C2N1 AC-23158 [0,0,0,1,1,0|2,0,0]=4 210 B12R2.3190 O=C(O)C1CC2=CC=CC=C21 AC-210 [0,0,0,1,1,0|0,0,0]=2 211 B14R2.2 CC(=O)OC1CCC2=C1C=CC=C2 AC-27849 [0,0,0,1,0,1|1,0,0]=3 212 B14R2.2 O=C(O)CC1=CNC2=CC=CC=C12 AC-2974 [0,0,0,1,0,1|0,0,2]=4 213 B14R2.2 O=C(O)CC1=NNC2=CC=CC=C21 AC-17819 [0,0,0,1,0,1|1,0,1]=4 214 B14R2.2 O=C(O)CC1=NOC2=CC=CC=C21 AC-22758 [0,0,0,1,0,1|1,0,1]=4 215 B14R2.2 O=C(O)CC1=NOC2=CC=CC=C21 AC-27285 [0,0,0,1,0,1|1,0,1]=4 216 B14R2.19 O=C1CCN(CC2=CC=CC=C2)C1 AC-1028 [0,0,0,1,0,1|1,0,0]=3 217 B14R2.19 O=C1N[C@@H](CC2=CC=CC=C2)CO1 AC-4357 [0,0,0,1,0,1|1,0,0]=3 218 B14R2.19 O=C1N[C@@H](CC2=CC=CC=C2)CS1 AC-9175 [0,0,0,1,0,1|1,0,0]=3 219 B14R2.19 O=C1N[C@H](CC2=CC=CC=C2)CO1 AC-1396 [0,0,0,1,0,1|1,0,0]=3 220 B14R2.19 OC1CCN(CC2=CC=CC=C2)C1 AC-15344 [0,0,0,1,0,1|1,0,1]=4 221 B14R2.19 OC1CCN(CC2=CC=CC=C2)C1 AC-22524 [0,0,0,1,0,1|1,0,1]=4 222 B14R2.19 O[C@@H]1CCN(CC2=CC=CC=C2)C1 AC-6761 [0,0,0,1,0,1|1,0,1]=4 223 B14R2.19 O[C@H]1CCN(CC2=CC=CC=C2)C1 AC-2594 [0,0,0,1,0,1|1,0,1]=4 224 B14R2.19 S=C1N[C@@H](CC2=CC=CC=C2)CS1 AC-28074 [0,0,0,1,0,1|1,1,0]=4 225 B14R2.19 S=C1N[C@H](CC2=CC=CC=C2)CO1 AC-2128 [0,0,0,1,0,1|1,1,0]=4 226 B14R2.21 O=C1COCC(C2=CC=CC=C2)N1 AC-29462 [0,0,0,1,0,1|1,0,0]=3 227 B14R2.31359 O=C(O)C1NCCC2=C1C=CC=C2 AC-29612 [0,0,0,1,0,1|0,0,0]=2 228 B14R2.31359 O=C(O)C1NCCC2=C1C=CC=C2 AC-29646 [0,0,0,1,0,1|0,0,0]=2 229 B14R2.31359 O=C(O)[C@@H]1CCCC2=CC=CC=C21 AC-8866 [0,0,0,1,0,1|0,0,0]=2 230 B14R2.31359 O=C(O)[C@@H]1NCCC2=C1C=CC=C2 AC-29338 [0,0,0,1,0,1|0,0,0]=2 231 B14R2.31359 O=C(O)[C@H]1NCCC2=C1C=CC=C2 AC-29611 [0,0,0,1,0,1|0,0,0]=2 232 B14R2.31359 [C@H]1(C(=O)O)CCCC2=C1C=CC=C2 AC-6928 [0,0,0,1,0,1|0,0,0]=2 233 B14R2.68 O=C1CNC(C2=CC=CC=C2)CO1 AC-4310 [0,1,0,1,0,0|1,0,0]=3 234 B14R2.9520 O=C(O)C1CC1(F)C2=CC=CC=C2 AC-31177 [0,1,0,1,0,0|0,0,0]=2 235 B14R2.390 O=C1CCCC2=CC=CC(F)=C2N1 AC-25540 [0,1,0,1,0,0|1,0,0]=3 236 B14R2.4476 O=C(O)C1CC1C2=CC=CC(Cl)=C2 AC-29580 [0,1,0,1,0,0|0,0,0]=2 237 B14R2.4476 O=C(O)C1CC1C2=CC=CC(F)=C2 AC-29562 [0,1,0,1,0,0|0,0,0]=2 238 B14R2.7974 O=C1CCCC2=CC(Cl)=CC=C2N1 AC-26796 [0,1,0,1,0,0|1,0,0]=3 239 B14R2.768 CC(=O)NC1CC2=CC=CC=C2C1 AC-20741 [0,1,0,1,0,0|2,0,0]=4 240 B14R2.768 O=C(O)CC1=CC2=CC=CC=C2N1 AC-26500 [0,1,0,1,0,0|0,0,2]=4 241 B14R2.781 NC(=O)C1CC2=C(C=CC=C2)CN1 AC-27709 [0,1,0,1,0,0|2,0,0]=4 242 B14R2.781 O=C(O)C1CNC2=CC=CC=C2C1 AC-28311 [0,1,0,1,0,0|1,0,0]=3 243 B14R2.781 O=C(O)C1COC2=C(C=CC=C2)O1 AC-1644 [0,1,0,1,0,0|1,0,0]=3 244 B14R2.781 O=C(O)C1COC2=CC=CC=C2C1 AC-29679 [0,1,0,1,0,0|1,0,0]=3 245 B14R2.781 O=C(O)[C@@H]1CC2=C(C=CC=C2)CN1 AC-1091 [0,1,0,1,0,0|1,0,0]=3 246 B14R2.781 O=C(O)[C@@H]1CC2=CC=CC=C2CN1 AC-14354 [0,1,0,1,0,0|1,0,0]=3 247 B14R2.781 O=C(O)[C@@H]1COC2=CC=CC=C2O1 AC-30246 [0,1,0,1,0,0|1,0,0]=3 248 B14R2.781 O=C(O)[C@H]1CC2=CC=CC=C2CN1 AC-13536 [0,1,0,1,0,0|1,0,0]=3 249 B14R2.781 O=C(O)[C@H]1CC2=CC=CC=C2CN1 AC-5890 [0,1,0,1,0,0|1,0,0]=3 250 B14R2.781 [C@H]1(C(=O)O)COC2=CC=CC=C2O1 AC-30247 [0,1,0,1,0,0|1,0,0]=3 251 B14R2.5443 O=C(O)C1CC1C2=CC=CC=C2Br AC-29544 [0,1,0,1,0,0|0,0,0]=2 252 B14R2.5443 O=C(O)C1CC1C2=CC=CC=C2Cl AC-29578 [0,1,0,1,0,0|0,0,0]=2 253 B14R2.5443 O=C(O)C1CC1C2=CC=CC=C2F AC-29386 [0,1,0,1,0,0|0,0,0]=2 254 B14R2.598 C[C@@H]1NC(=O)O[C@@H]1C2=CC=CC=C2 AC-33543 [0,1,0,1,0,0|1,0,0]=3 255 B14R2.260 CC1CN(C2=CC=CC=C2)NC1=O AC-11626 [0,1,0,1,0,0|2,0,0]=4 256 B14R2.260 CC1N=C(C2=CC=CC=C2)OC1=O AC-6419 [0,1,0,1,0,0|1,0,1]=4 257 B14R2.741 NC1CCC2=CC=CC=C2NC1=O AC-24328 [0,1,0,1,0,0|1,0,0]=3 258 B14R2.741 O=C1NC2=CC=CC=C2CCC1Br AC-6870 [0,1,0,1,0,0|1,0,0]=3 259 B14R2.741 O=C1NC2=CC=CC=C2CCC1I AC-12069 [0,1,0,1,0,0|1,0,0]=3 260 B14R2.4402 O=C(O)C1CC1C2=CC=C(Br)C=C2 AC-29563 [0,1,0,1,0,0|0,0,0]=2 261 B14R2.4402 O=C(O)C1CC1C2=CC=C(Cl)C=C2 AC-29579 [0,1,0,1,0,0|0,0,0]=2 262 B14R2.4402 O=C(O)C1CC1C2=CC=C(F)C=C2 AC-29362 [0,1,0,1,0,0|0,0,0]=2 263 B14R2.4514 CN1C(=O)CC[C@H]1C2=CC=CN=C2 AC-35718 [0,1,0,1,0,0|2,0,0]=4 264 B10R1.18 CC(=O)CC1=CC=NC=C1 AC-19864 [0,0,0,0,2,0|2,0,0]=4 265 B10R1.18 NC(=O)CC1=CC=CC=C1 AC-24581 [0,0,0,0,2,0|1,0,0]=3 266 B10R1.18 O=C(O)CC1=CC=CN=C1 AC-24998 [0,0,0,0,2,0|1,0,0]=3 267 B10R1.18 O=C(O)CC1=CC=CN=C1 AC-2507 [0,0,0,0,2,0|1,0,0]=3 268 B10R1.18 O=C(O)CC1=CC=NC=C1 AC-1346 [0,0,0,0,2,0|1,0,0]=3 269 B10R1.18 O=C(O)CC1=CC=NC=C1 AC-6580 [0,0,0,0,2,0|1,0,0]=3 270 B10R1.18 O=C(O)CC1=CN=CN=C1 AC-22791 [0,0,0,0,2,0|2,0,0]=4 271 B10R1.18 O=C(O)CC1=NC=CC=C1 AC-27705 [0,0,0,0,2,0|1,0,0]=3 272 B10R1.18 O=C(O)CC1=NC=CC=C1 AC-2897 [0,0,0,0,2,0|1,0,0]=3 273 B10R1.18 O=C(O)CC1=NC=CC=N1 AC-4431 [0,0,0,0,2,0|2,0,0]=4 274 B10R1.66 O=C(O)CCC1=CC=CS1 AC-6474 [0,0,0,0,2,0|1,0,0]=3 275 B10R1.66 O=C(O)CCC1=CNC=N1 AC-25677 [0,0,0,0,2,0|2,0,0]=4 276 B10R1.66 O=C(O)CCC1=NC=CS1 AC-6475 [0,0,0,0,2,0|2,0,0]=4 277 B10R1.66 O=C(O)CCN1C=CN=C1 AC-26473 [0,0,0,0,2,0|2,0,0]=4