0 B12R1.252 CC(=O)CCCC1=CC=CC=N1 BB54-3908 [0,0,0,0,0,0|2,0,0]=2 1 B12R1.252 CC(=O)NCCC1=CC=CC=C1 BB01-7779 [0,0,0,0,0,0|2,0,0]=2 2 B12R1.252 NC(=O)NCCC1=CC=CC=C1 BB01-7605 [0,0,0,0,0,0|2,0,0]=2 3 B12R1.252 NC(=O)N\N=C\C1=CC=CC=C1 BB01-7412 [0,0,0,0,0,0|3,0,1]=4 4 B12R1.252 O=C(O)CCCC1=CC=CC=N1 BB54-3321 [0,0,0,0,0,0|1,0,0]=1 5 B12R1.252 O=C(O)CCCC1=CC=NC=C1 BB54-3329 [0,0,0,0,0,0|1,0,0]=1 6 B12R1.252 O=C(O)COCC1=CC=CC=C1 BB01-5008 [0,0,0,0,0,0|1,0,0]=1 7 B11R1.28 C=CCCNC1=CC=CC=C1 BB58-4953 [1,0,0,0,0,0|2,0,0]=3 8 B11R1.28 C=CCNCC1=CC=CC=C1 BB20-4594 [1,0,0,0,0,0|2,0,0]=3 9 B11R1.28 N#CCCCC1=NC=CC=C1 BB54-3757 [1,0,0,0,0,0|2,0,1]=4 10 B11R1.28 NCCCCC1=NC=CC=C1 BB54-4080 [1,0,0,0,0,0|2,0,1]=4 11 B11R1.28 NCCOCC1=CC=CC=C1 BB55-4803 [1,0,0,0,0,0|2,0,1]=4 12 B11R1.28 NCCSCC1=CC=CC=C1 BB53-1385 [1,0,0,0,0,0|2,0,1]=4 13 B11R1.28 OCCNCC1=CC=CC=C1 BB17-0809 [1,0,0,0,0,0|1,0,1]=3 14 B11R1.28 S=C=NCCC1=CC=CC=C1 BB54-2698 [1,0,0,0,0,0|1,1,1]=4 15 B13R1.45 CN(C)CCC(N)C1=CC=CC=C1 BB05-4727 [0,1,0,0,0,0|3,0,0]=4 16 B13R1.45 CN(C)CCC(N)C1=CC=CC=C1 BB57-4297 [0,1,0,0,0,0|3,0,0]=4 17 B13R1.45 CN(CCC(=O)O)C1=CC=CC=C1 BB58-0842 [0,1,0,0,0,0|1,0,0]=2 18 B13R1.45 O=C(O)CCC(=O)C1=CN=CC=C1 BB54-1177 [0,1,0,0,0,0|1,0,1]=3 19 B13R1.45 O=C(O)CSC(=S)C1=CC=CC=C1 BB12-1361 [0,1,0,0,0,0|1,0,1]=3 20 B13R1.149 O=C(O)CNCC1=CC(F)=CC=C1 BB20-0187 [0,1,0,0,0,0|1,0,0]=2 21 B13R1.158 CC1=C(CNCC(=O)O)C=CC=C1 BB20-1222 [0,1,0,0,0,0|1,0,0]=2 22 B13R1.348 CC(=O)CC(=O)NC1=CC=CC=C1 BB12-1362 [0,1,0,0,0,0|2,0,1]=4 23 B13R1.351 NC(CCC1=CC=CC=N1)C(=O)O BB54-3436 [0,1,0,0,0,0|1,0,0]=2 24 B13R1.351 O=C(O)C(=O)CCC1=CC=CC=C1 BB12-2929 [0,1,0,0,0,0|0,0,1]=2 25 B13R1.718 CC(CO)CNCC1=CC=CC=C1 BB57-2239 [0,1,0,0,0,0|2,0,1]=4 26 B13R1.718 O=C(CCl)NCCC1=CC=CC=C1 BB54-0112 [0,1,0,0,0,0|2,0,0]=3 27 B13R1.3523 CC(C)(O)CNCC1=CC=CC=C1 BB58-2129 [0,1,0,0,0,0|2,0,1]=4 28 B13R1.3523 CS(=O)(=O)NCCC1=CC=CC=C1 BB17-1510 [0,1,0,0,0,0|2,0,1]=4 29 B13R1.3523 O=S(=O)(Cl)CCCC1=CC=CC=C1 BB58-0557 [0,1,0,0,0,0|1,0,1]=3 30 B13R1.3523 O=S(=O)(Cl)CCOC1=CC=CC=C1 BB57-5852 [0,1,0,0,0,0|2,0,1]=4 31 B13R2.10 NC1=NN(C2=CC=CC=C2)CC1 BB01-4298 [0,0,0,1,0,0|3,0,0]=4 32 B13R2.10 O=C1C=C(C2=CC=CC=C2)CC1 BB54-5037 [0,0,0,1,0,0|1,0,1]=3 33 B13R2.10 O=C1CCC(C2=CC=CC=C2)C1 BB31-5154 [0,0,0,1,0,0|1,0,0]=2 34 B13R2.10 O=C1CCN(C2=CC=CC=C2)N1 BB54-0220 [0,0,0,1,0,0|2,0,0]=3 35 B13R2.72 O=C(O)C1=NSC2=CC=CC=C21 BB51-1350 [0,0,0,1,0,0|2,0,1]=4 36 B13R2.72 O=C(O)C1CNC2=C1C=CC=C2 BB57-4095 [0,0,0,1,0,0|1,0,0]=2 37 B13R2.423 O=C(O)C1CC1C2=CC=CC=C2 BB05-2321 [0,0,0,1,0,0|0,0,0]=1 38 B13R2.3122 CC1(O)CCCC2=CC=CC=C21 BB57-5155 [0,0,0,1,0,0|1,0,1]=3 39 B11R1.91 N=C(N)CCC1=CC=CC=C1 BB57-1742 [0,0,0,0,1,0|2,0,0]=3 40 B11R1.91 N=C(N)OCC1=CC=CC=C1 BB57-6018 [0,0,0,0,1,0|3,0,0]=4 41 B11R1.91 N=C(N)SCC1=CC=CC=C1 BB57-2949 [0,0,0,0,1,0|3,0,0]=4 42 B11R1.91 NC(=O)NCC1=CC=CC=C1 BB01-6935 [0,0,0,0,1,0|2,0,0]=3 43 B11R1.91 NC(=S)CCC1=NC=CC=C1 BB54-4361 [0,0,0,0,1,0|2,1,0]=4 44 B11R1.91 NC(=S)COC1=CC=CC=C1 BB20-4704 [0,0,0,0,1,0|2,1,0]=4 45 B11R1.91 O=C(Cl)CSC1=NC=CC=C1 BB12-3011 [0,0,0,0,1,0|3,0,0]=4 46 B11R1.91 O=C(O)C#CC1=CC=CC=C1 BB55-0680 [0,0,0,0,1,0|0,0,2]=3 47 B11R1.91 O=C(O)CCC1=NC=CN=C1 BB58-4745 [0,0,0,0,1,0|2,0,0]=3 48 B11R1.91 O=C(O)CNC1=CC=CC=C1 BB12-2585 [0,0,0,0,1,0|1,0,0]=2 49 B11R1.91 O=C(O)CNC1=NC=CC=N1 BB58-4446 [0,0,0,0,1,0|3,0,0]=4 50 B11R1.91 O=C(O)CSC1=CC=CC=C1 BB54-0245 [0,0,0,0,1,0|1,0,0]=2 51 B11R1.91 O=C(O)CSC1=NC=CC=C1 BB05-0492 [0,0,0,0,1,0|2,0,0]=3 52 B11R1.172 O=C(O)CCCC1=CNN=C1 BB55-6217 [0,0,0,0,1,0|2,0,0]=3 53 B11R1.172 O=C(O)CCCN1C=CC=N1 BB57-1586 [0,0,0,0,1,0|2,0,0]=3 54 B11R1.172 O=C(O)CCCN1C=NC=N1 BB54-3961 [0,0,0,0,1,0|3,0,0]=4 55 B11R1.172 O=C(O)CSCC1=CC=CS1 BB01-3297 [0,0,0,0,1,0|2,0,0]=3 56 B13R1.337 CC(=O)NCCOC1=CC=CN=C1 BB57-6466 [0,0,0,0,0,1|3,0,0]=4 57 B13R1.337 CC(C)CCNCC1=CC=CC=C1 BB32-2891 [0,0,0,0,0,1|2,0,1]=4 58 B13R1.337 O=C(O)CCSCC1=CC=CC=C1 BB12-2751 [0,0,0,0,0,1|0,0,0]=1 59 B10R1.17 BrCCCC1=CN=CC=C1 BB54-3595 [2,0,0,0,0,0|2,0,0]=4 60 B10R1.17 BrCCOC1=CC=CC=C1 BB17-1654 [2,0,0,0,0,0|2,0,0]=4 61 B10R1.17 ClCCCC1=CC=NC=C1 BB57-3431 [2,0,0,0,0,0|2,0,0]=4 62 B10R1.17 NCCCC1=CC=CC=N1 BB54-0788 [2,0,0,0,0,0|2,0,0]=4 63 B10R1.17 NCCCC1=CC=NC=C1 BB57-3430 [2,0,0,0,0,0|2,0,0]=4 64 B10R1.17 OCCCC1=CC=NC=C1 BB57-6720 [2,0,0,0,0,0|1,0,0]=3 65 B12R1.1 OCCNCC1=CC=C(F)C=C1 BB32-0902 [1,1,0,0,0,0|1,0,1]=4 66 B12R1.8 NCCCNCC1=CC=CC=C1 BB05-3473 [1,1,0,0,0,0|1,0,1]=4 67 B12R1.21 CC1=CC=C(CNC(N)=O)C=C1 BB01-7609 [0,1,0,0,1,0|2,0,0]=4 68 B12R1.21 CC1=CC=C(NCC(=O)O)C=C1 BB12-2588 [0,1,0,0,1,0|1,0,0]=3 69 B12R1.21 NC(=O)COC1=CC=C(N)C=C1 BB12-1839 [0,1,0,0,1,0|2,0,0]=4 70 B12R1.21 NC(=O)CSC1=CC=C(N)C=C1 BB58-2936 [0,1,0,0,1,0|2,0,0]=4 71 B12R1.21 NC(=O)NCC1=CC=C(F)C=C1 BB01-7619 [0,1,0,0,1,0|2,0,0]=4 72 B12R1.21 NC1=CC=C(CCC(=O)O)C=C1 BB05-4599 [0,1,0,0,1,0|0,0,0]=2 73 B12R1.21 NC1=CC=C(OCC(=O)O)C=C1 BB12-1847 [0,1,0,0,1,0|1,0,0]=3 74 B12R1.21 O=C(Cl)COC1=CC=C(Br)C=C1 BB55-5587 [0,1,0,0,1,0|2,0,0]=4 75 B12R1.21 O=C(O)CCC1=CC=C(Cl)C=C1 BB54-2898 [0,1,0,0,1,0|0,0,0]=2 76 B12R1.21 O=C(O)CNC1=CC=C(Br)C=C1 BB58-0806 [0,1,0,0,1,0|1,0,0]=3 77 B12R1.21 O=C(O)CNC1=CC=C(F)C=C1 BB58-0803 [0,1,0,0,1,0|1,0,0]=3 78 B12R1.21 O=C(O)\C=C\C1=CC=C(I)C=C1 BB17-2516 [0,1,0,0,1,0|0,0,2]=4 79 B12R1.43 CC(=O)C(N)CC1=CC=CC=C1 BB54-3217 [0,1,0,0,1,0|1,0,0]=3 80 B12R1.43 N[C@@H](CC1=CC=CN=C1)C(=O)O BB01-8382 [0,1,0,0,1,0|1,0,0]=3 81 B12R1.43 O=C(O)C(=O)NC1=CC=CC=C1 BB55-4698 [0,1,0,0,1,0|1,0,1]=4 82 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 BB12-2875 [0,1,0,0,1,0|1,0,1]=4 83 B12R1.107 CN(CC(=O)O)C1=CC=CC=C1 BB12-1278 [0,1,0,0,1,0|1,0,0]=3 84 B12R1.107 NC(CC(=O)O)C1=CC=CC=C1 BB54-0376 [0,1,0,0,1,0|0,0,0]=2 85 B12R1.107 O=[N+]([O-])CC(O)C1=CC=CC=C1 BB54-0417 [0,1,0,0,1,0|1,0,1]=4 86 B12R1.125 CC1=C(\C=C\C(=O)O)C=CC=C1 BB56-1289 [0,1,0,0,1,0|0,0,2]=4 87 B12R1.125 CC1=CC=CC=C1NCC(=O)O BB12-2586 [0,1,0,0,1,0|1,0,0]=3 88 B12R1.125 CC1=CC=CC=C1OCC(=O)Cl BB55-5582 [0,1,0,0,1,0|2,0,0]=4 89 B12R1.125 CC1=CC=CC=C1OCC(=O)O BB01-6379 [0,1,0,0,1,0|1,0,0]=3 90 B12R1.125 O=C(Cl)COC1=C(Cl)C=CC=C1 BB55-5589 [0,1,0,0,1,0|2,0,0]=4 91 B12R1.125 O=C(O)CCN1C=CC=CC1=O BB57-2035 [0,1,0,0,1,0|1,0,0]=3 92 B12R1.125 O=C(O)CNC1=C(Cl)C=CC=C1 BB58-0801 [0,1,0,0,1,0|1,0,0]=3 93 B12R1.125 O=C(O)COC1=C(F)C=CC=C1 BB12-2037 [0,1,0,0,1,0|1,0,0]=3 94 B12R1.226 CC1=CC(NCC(=O)O)=CC=C1 BB12-2587 [0,1,0,0,1,0|1,0,0]=3 95 B12R1.226 CC1=CC(OCC(=O)Cl)=CC=C1 BB55-5583 [0,1,0,0,1,0|2,0,0]=4 96 B12R1.226 NC(=O)NCC1=CC(F)=CC=C1 BB01-7606 [0,1,0,0,1,0|2,0,0]=4 97 B12R1.226 NC1=CC=CC(CCC(=O)O)=C1 BB12-2907 [0,1,0,0,1,0|0,0,0]=2 98 B12R1.226 NC1=CC=CC(\C=C\C(=O)O)=C1 BB55-3550 [0,1,0,0,1,0|0,0,2]=4 99 B12R1.226 O=C(O)CCC1=CC(F)=CC=C1 BB54-1054 [0,1,0,0,1,0|0,0,0]=2 100 B12R1.226 O=C(O)CNC1=CC(Cl)=CC=C1 BB58-0802 [0,1,0,0,1,0|1,0,0]=3 101 B12R1.226 O=C(O)\C=C\C1=CC(Cl)=CC=C1 BB17-0708 [0,1,0,0,1,0|0,0,2]=4 102 B12R1.226 O=C(O)\C=C\C1=CC(I)=CC=C1 BB56-2320 [0,1,0,0,1,0|0,0,2]=4 103 B12R1.891 O=S(=O)(Cl)CCC1=CC=CC=C1 BB54-4260 [0,1,0,0,1,0|1,0,1]=4 104 B12R1.891 O=S(=O)(O)CCC1=CC=NC=C1 BB57-6801 [0,1,0,0,1,0|2,0,0]=4 105 B12R1.54 O=C(O)CCC(=O)C1=CC=CO1 BB54-4290 [0,1,0,0,1,0|1,0,1]=4 106 B12R1.105 CC1=CN(CCCC(=O)O)N=C1 BB05-2544 [0,1,0,0,1,0|2,0,0]=4 107 B12R1.105 CC1=NN(CCCC(=O)O)C=C1 BB05-2549 [0,1,0,0,1,0|2,0,0]=4 108 B12R1.105 O=C(O)CCCN1C=C(Br)C=N1 BB05-2548 [0,1,0,0,1,0|2,0,0]=4 109 B12R1.105 O=C(O)CCCN1C=C(Cl)C=N1 BB05-2545 [0,1,0,0,1,0|2,0,0]=4 110 B14R1.148 CC(=O)NCCOC1=CC(N)=CC=C1 BB57-5726 [0,1,0,0,0,1|2,0,0]=4 111 B14R1.148 CC1=CC=CC(OCCCC(=O)O)=C1 BB05-3230 [0,1,0,0,0,1|0,0,0]=2 112 B14R1.677 CC(=O)NCCOC1=CC=C(N)C=C1 BB57-7090 [0,1,0,0,0,1|2,0,0]=4 113 B14R1.677 CC(=O)NCCOC1=CC=C(O)C=C1 BB57-5683 [0,1,0,0,0,1|2,0,0]=4 114 B14R1.677 O=C(O)CCSCC1=CC=C(Cl)C=C1 BB01-2883 [0,1,0,0,0,1|0,0,0]=2 115 B14R1.677 O=C(O)CCSCC1=CC=C(F)C=C1 BB12-2752 [0,1,0,0,0,1|0,0,0]=2 116 B14R1.716 COC(=O)CCNCC1=CC=CC=C1 BB55-8607 [0,1,0,0,0,1|0,0,0]=2 117 B14R1.716 O=C(CCl)NCCCC1=CC=CC=C1 BB01-5496 [0,1,0,0,0,1|1,0,0]=3 118 B14R1.818 CC(=O)CC(=O)NCC1=CC=CC=C1 BB54-0159 [0,1,0,0,0,1|1,0,1]=4 119 B14R1.6449 O=C(O)[C@@H](O)COCC1=CC=CC=C1 BB31-1799 [0,1,0,0,0,1|0,0,0]=2 120 B14R1.415 CC(CN(C)C1=CC=CC=C1)C(=O)O BB58-0844 [0,2,0,0,0,0|1,0,0]=3 121 B14R1.415 O=C(O)C(=O)CC(=O)C1=CC=CC=C1 BB54-3566 [0,2,0,0,0,0|0,0,2]=4 122 B14R1.417 CC(CC(=O)O)N(C)C1=CC=CC=C1 BB58-0843 [0,2,0,0,0,0|1,0,0]=3 123 B14R1.678 CC(=O)CCC(=O)C1=CC=C(Br)C=C1 BB20-0476 [0,2,0,0,0,0|1,0,1]=4 124 B14R1.813 O=C(O)CCS(=O)(=O)C1=CC=CC=C1 BB01-6419 [0,2,0,0,0,0|1,0,0]=3 125 B14R1.76 COC1=CC(\C=C\CC(=O)O)=CC=C1 BB54-5550 [0,2,0,0,0,0|0,0,2]=4 126 B14R1.96 COC1=C(CCCC(=O)O)C=CC=C1 BB32-2124 [0,2,0,0,0,0|0,0,0]=2 127 B14R1.96 COC1=C(CCNC(C)=O)C=CC=C1 BB20-4656 [0,2,0,0,0,0|2,0,0]=4 128 B14R1.161 CC1=C(OCC(O)C(=O)O)C=CC=C1 BB54-2283 [0,2,0,0,0,0|1,0,0]=3 129 B14R1.161 NC(CCC1=C(Cl)C=CC=C1)C(=O)O BB31-1129 [0,2,0,0,0,0|0,0,0]=2 130 B14R1.1485 O=C(O)CS(=O)(=O)CC1=CC=CC=C1 BB55-4654 [0,2,0,0,0,0|1,0,0]=3 131 B14R1.756 CC(SCC1=CC=CC=C1)C(=O)NN BB57-4787 [0,2,0,0,0,0|2,0,0]=4 132 B14R1.520 N#CCC(=O)NCCC1=CC=CC=C1 BB05-2783 [0,2,0,0,0,0|2,0,0]=4 133 B14R1.520 NCCC(=O)NCCC1=CC=CC=C1 BB53-1852 [0,2,0,0,0,0|2,0,0]=4 134 B12R2.1 O=NN1CCC2=CC=CC=C21 BB01-7429 [1,0,0,1,0,0|2,0,0]=4 135 B12R2.2 C1=CC=C(C2CCCN2)C=C1 BB01-4666 [1,0,0,1,0,0|1,0,1]=4 136 B12R2.2 C1=CC=C(C2CCNC2)C=C1 BB54-4953 [1,0,0,1,0,0|2,0,0]=4 137 B12R2.41 C1=CC2=C(C=C1)OCCCO2 BB53-1823 [1,0,0,1,0,0|1,0,1]=4 138 B12R2.1081 NN1CCCC2=CC=CC=C21 BB55-4758 [1,0,0,1,0,0|2,0,0]=4 139 B12R2.1081 O=C1CCOC2=CC=CC=C12 BB01-2459 [1,0,0,1,0,0|1,0,0]=3 140 B12R2.24 O=C1CSC2=CC=CC=C2N1 BB20-4697 [0,0,0,1,1,0|2,0,0]=4 141 B14R2.2 O=C(O)CC1=CNC2=CC=CC=C12 BB56-1705 [0,0,0,1,0,1|0,0,2]=4 142 B14R2.2 O=C(O)CC1=NNC2=C1C=CC=C2 BB54-4114 [0,0,0,1,0,1|1,0,1]=4 143 B14R2.2 O=C(O)CN1N=NC2=C1C=CC=C2 BB05-0490 [0,0,0,1,0,1|2,0,0]=4 144 B14R2.2 O=C(O)CN1N=NC2=C1C=CC=C2 BB55-3525 [0,0,0,1,0,1|2,0,0]=4 145 B14R2.764 O=C(O)C1CN1CC2=CC=CC=C2 BB17-0161 [0,0,0,1,0,1|0,0,0]=2 146 B14R2.764 O=C([O-])C1CN1CC2=CC=CC=C2 BB57-4105 [0,0,0,1,0,1|0,0,1]=3 147 B14R2.31359 O=C(O)C1NCCC2=C1C=CC=C2 BB57-2469 [0,0,0,1,0,1|0,0,0]=2 148 B14R2.68 O=C1CCC(C2=CC=CC=C2)=NN1 BB55-4973 [0,1,0,1,0,0|1,0,1]=4 149 B14R2.68 O=C1CCC(C2=CC=CC=C2)CN1 BB55-8895 [0,1,0,1,0,0|1,0,0]=3 150 B14R2.300 CC(=O)N1CCC2=C1C=CC(N)=C2 BB55-4549 [0,1,0,1,0,0|2,0,0]=4 151 B14R2.768 O=C(O)CC1=NC2=C(C=CC=C2)S1 BB54-4134 [0,1,0,1,0,0|1,0,1]=4 152 B14R2.768 O=C(O)CN1C=C2C=CC=CC2=N1 BB12-3277 [0,1,0,1,0,0|1,0,1]=4 153 B14R2.768 O=C(O)CN1N=C2C=CC=CC2=N1 BB12-2058 [0,1,0,1,0,0|2,0,0]=4 154 B14R2.781 O=C(O)C1CC2=C(C=CC=C2)CN1 BB54-1217 [0,1,0,1,0,0|1,0,0]=3 155 B14R2.5443 O=C(O)C1CC1C2=C(Cl)C=CC=C2 BB31-5556 [0,1,0,1,0,0|0,0,0]=2 156 B14R2.260 CC1CN(C2=CC=CC=C2)NC1=O BB54-0108 [0,1,0,1,0,0|2,0,0]=4 157 B14R2.4402 CC1=CC=C(C2CC2C(=O)O)C=C1 BB05-2373 [0,1,0,1,0,0|0,0,0]=2 158 B14R2.4402 O=C(O)C1CC1C2=CC=C(Cl)C=C2 BB05-0982 [0,1,0,1,0,0|0,0,0]=2 159 B14R2.95 CCC(=O)N1CCC2=CC=CC=C21 BB01-6290 [0,1,0,1,0,0|2,0,0]=4 160 B14R2.958 NNC(=O)C1CC1C2=CC=CC=C2 BB05-0290 [0,1,0,1,0,0|1,0,0]=3 161 B14R2.958 NNC(=O)C1CC1C2=CC=CC=C2 BB55-1915 [0,1,0,1,0,0|1,0,0]=3 162 B14R2.4514 CC1C(=O)NCC1C2=CC=CC=C2 BB58-3083 [0,1,0,1,0,0|2,0,0]=4 163 B10R1.18 CC(=O)CC1=NC=CC=C1 BB55-8084 [0,0,0,0,2,0|2,0,0]=4 164 B10R1.18 N=C(N)CC1=CC=CC=C1 BB31-4317 [0,0,0,0,2,0|2,0,0]=4 165 B10R1.18 NC(=O)NC1=CC=CC=C1 BB01-6936 [0,0,0,0,2,0|2,0,0]=4 166 B10R1.66 O=C(O)CCC1=CC=NO1 BB54-1995 [0,0,0,0,2,0|2,0,0]=4