0 B12R1.21 CC1=CC=C(C#CC(=O)O)C=C1 BB31-7651 [0,0,0,0,0,0|1,0,2]=3 1 B12R1.21 CC1=CC=C(NCC(F)F)C=C1 BB05-4655 [0,0,0,0,0,0|3,0,1]=4 2 B12R1.21 NC(=O)CCC1=CC=C(N)C=C1 BB12-5413 [0,0,0,0,0,0|2,0,0]=2 3 B12R1.21 NC(=O)CCC1=CC=C(O)C=C1 BB31-8097 [0,0,0,0,0,0|2,0,0]=2 4 B12R1.21 NC1=CC=C(CCC(=O)O)C=C1 BB12-5412 [0,0,0,0,0,0|2,0,0]=2 5 B11R1.1 C=CCOC1=CC=C(C)C=C1 BB31-4230 [1,0,0,0,0,0|1,0,1]=3 6 B11R1.1 CC1=CC=C(OCCBr)C=C1 BB31-4045 [1,0,0,0,0,0|2,0,1]=4 7 B11R1.1 CCNCC1=CC=C(O)C=C1 BB31-5883 [1,0,0,0,0,0|2,0,1]=4 8 B11R1.1 ClCCCC1=CC=C(Br)C=C1 BB31-4830 [1,0,0,0,0,0|2,0,1]=4 9 B11R1.1 O=CCCC1=CC=C(Br)C=C1 BB31-6794 [1,0,0,0,0,0|1,0,0]=2 10 B11R1.1 O=C\C=C\C1=CC=C(O)C=C1 BB32-1043 [1,0,0,0,0,0|1,0,2]=4 11 B11R1.1 OCCCC1=CC=C(F)C=C1 BB31-7183 [1,0,0,0,0,0|1,0,2]=4 12 B11R1.91 NC(=O)CCC1=CN=CC=C1 BB31-6760 [1,0,0,0,0,0|2,0,0]=3 13 B11R1.91 NC(=O)CNC1=CC=CC=C1 BB32-1447 [1,0,0,0,0,0|2,0,0]=3 14 B11R1.91 O=C(O)CCC1=CC=NC=C1 BB52-8563 [1,0,0,0,0,0|2,0,0]=3 15 B11R1.91 O=C(O)CCC1=NC=CC=C1 BB52-8590 [1,0,0,0,0,0|2,0,0]=3 16 B11R1.91 O=C(O)COC1=CN=CC=C1 BB31-6546 [1,0,0,0,0,0|3,0,0]=4 17 B11R1.91 O=C(O)CSC1=NC=CC=C1 BB52-3334 [1,0,0,0,0,0|3,0,0]=4 18 B13R1.3 COC1=CC=C(C#CC(=O)O)C=C1 BB32-1274 [0,1,0,0,0,0|1,0,2]=4 19 B13R1.3 NC(=O)COC1=CC=C(CO)C=C1 BB12-5382 [0,1,0,0,0,0|2,0,0]=3 20 B13R1.14 COC(=O)C#CC1=CC=C(F)C=C1 BB32-1958 [0,1,0,0,0,0|1,0,2]=4 21 B13R1.14 COC(=O)CCC1=CC=C(C)C=C1 BB32-3522 [0,1,0,0,0,0|0,0,0]=1 22 B13R1.14 COC(=O)CCC1=CC=C(F)C=C1 BB31-4540 [0,1,0,0,0,0|1,0,0]=2 23 B13R1.14 COC(=O)CCC1=CC=C(N)C=C1 BB32-1808 [0,1,0,0,0,0|1,0,0]=2 24 B13R1.133 CC(CC1=CC=C(F)C=C1)C(=O)O BB32-0888 [0,1,0,0,0,0|2,0,0]=3 25 B13R1.133 O=C(O)C(O)CC1=CC=C(Cl)C=C1 BB31-4228 [0,1,0,0,0,0|2,0,0]=3 26 B13R1.133 O=C(O)[C@@H](O)CC1=CC=C(F)C=C1 BB31-1106 [0,1,0,0,0,0|2,0,0]=3 27 B13R1.164 CC1=CC(Cl)=C(OCC(=O)O)C=C1 BB32-3371 [0,1,0,0,0,0|2,0,0]=3 28 B13R1.164 O=C(O)CCC1=C(Cl)C=C(Br)C=C1 BB31-1524 [0,1,0,0,0,0|2,0,0]=3 29 B13R1.164 O=C(O)COC1=C(F)C=C(Br)C=C1 BB32-2853 [0,1,0,0,0,0|3,0,0]=4 30 B13R1.511 O=C(O)CCC1=CC(Br)=C(O)C=C1 BB31-3957 [0,1,0,0,0,0|2,0,0]=3 31 B13R2.147 O=C1CC(C2=CC=C(Br)C=C2)C1 BB31-4694 [0,0,0,1,0,0|1,0,0]=2 32 B13R2.155 CN1CCC2=C(C=C(N)C=C2)C1 BB31-2655 [0,0,0,1,0,0|3,0,0]=4 33 B13R2.155 O=C1CCC2=C(C=C(Br)C=C2)C1 BB31-1921 [0,0,0,1,0,0|1,0,0]=2 34 B13R2.155 O=C1CCC2=C(C=C(Cl)C=C2)C1 BB31-3459 [0,0,0,1,0,0|1,0,0]=2 35 B13R2.155 O=C1CCC2=C(C=C(Cl)C=C2)N1 BB31-2544 [0,0,0,1,0,0|2,0,0]=3 36 B13R2.155 O=C1CCC2=C(C=C(F)C=C2)C1 BB31-4546 [0,0,0,1,0,0|1,0,0]=2 37 B13R2.155 O=C1CCC2=C(C=C(F)C=C2)N1 BB32-2803 [0,0,0,1,0,0|2,0,0]=3 38 B13R2.155 O=C1CSC2=C(C=C(Br)C=C2)N1 BB31-7151 [0,0,0,1,0,0|3,0,0]=4 39 B13R2.3791 NC1=CC2=C(C=C1)CCS2(=O)=O BB31-3814 [0,0,0,1,0,0|3,0,0]=4 40 B11R1.20 CC(=O)NC1=NC=C(I)C=C1 BB32-3681 [0,0,0,0,1,0|3,0,0]=4 41 B11R1.20 CC(C)CC1=CC=C(N)C=C1 BB32-1078 [0,0,0,0,1,0|2,0,1]=4 42 B11R1.20 NC(=O)CC1=CC=C(N)C=C1 BB32-3859 [0,0,0,0,1,0|2,0,0]=3 43 B11R1.20 NC(=O)CC1=NC=C(Br)C=C1 BB31-9657 [0,0,0,0,1,0|3,0,0]=4 44 B11R1.20 O=C(O)CC1=NC=C(Cl)C=C1 BB31-0029 [0,0,0,0,1,0|3,0,0]=4 45 B11R1.20 O=C(O)CC1=NC=C(F)C=C1 BB31-0032 [0,0,0,0,1,0|3,0,0]=4 46 B11R1.75 CC1=CN(CCC(=O)O)N=C1 BB52-9213 [0,0,0,0,1,0|3,0,0]=4 47 B10R1.1 C=CCC1=CC=C(O)C=C1 BB31-5055 [2,0,0,0,0,0|1,0,1]=4 48 B10R1.1 CC1=CC=C(SCCl)C=C1 BB31-6111 [2,0,0,0,0,0|2,0,0]=4 49 B10R1.1 CC1=NC=C(CCO)C=C1 BB31-0061 [2,0,0,0,0,0|1,0,1]=4 50 B10R1.1 CSCC1=CC=C(F)C=C1 BB32-3225 [2,0,0,0,0,0|2,0,0]=4 51 B10R1.17 CCCCC1=CC=CN=C1 BB31-4701 [2,0,0,0,0,0|1,0,1]=4 52 B12R1.1 NCCCCC1=CC=C(Cl)C=C1 BB32-3534 [1,1,0,0,0,0|1,0,1]=4 53 B12R1.16 CCC[C@H](N)C1=CC=C(F)C=C1 BB31-1752 [1,1,0,0,0,0|1,0,1]=4 54 B12R1.49 CCC(=O)CC1=CC=C(C)C=C1 BB31-5466 [1,1,0,0,0,0|0,0,2]=4 55 B12R1.71 CCOCC1=CC=C(OC)C=C1 BB32-2498 [1,1,0,0,0,0|1,0,1]=4 56 B12R1.27 C#CC(=O)OCC1=CC=CC=C1 BB31-2799 [1,1,0,0,0,0|1,0,1]=4 57 B12R1.27 COC(=O)CCC1=NC=CC=C1 BB31-4510 [1,1,0,0,0,0|1,0,0]=3 58 B12R1.27 COC(=O)CNC1=CC=CC=C1 BB32-1728 [1,1,0,0,0,0|1,0,0]=3 59 B12R1.27 O=C(CBr)NCC1=CC=CN=C1 BB52-9526 [1,1,0,0,0,0|2,0,0]=4 60 B12R1.27 O=C(CBr)NCC1=CC=NC=C1 BB53-0757 [1,1,0,0,0,0|2,0,0]=4 61 B12R1.27 O=C(CBr)NCC1=NC=CC=C1 BB53-1125 [1,1,0,0,0,0|2,0,0]=4 62 B12R1.27 O=C(CCl)NCC1=CC=NC=C1 BB53-1145 [1,1,0,0,0,0|2,0,0]=4 63 B12R1.43 C[C@H](NC1=CC=CC=C1)C(=O)O BB31-3006 [1,1,0,0,0,0|2,0,0]=4 64 B12R1.43 O=C(O)[C@H](Br)CC1=CC=CC=C1 BB31-7674 [1,1,0,0,0,0|1,0,0]=3 65 B12R1.107 C=C(NC(C)=O)C1=CC=CC=C1 BB32-3562 [1,1,0,0,0,0|1,0,1]=4 66 B12R1.107 CC(C)C[C@H](N)C1=CC=CC=C1 BB31-1753 [1,1,0,0,0,0|1,0,1]=4 67 B12R1.107 C[C@@H](CC(=O)O)C1=CC=CC=C1 BB31-5440 [1,1,0,0,0,0|1,0,0]=3 68 B12R1.107 C[C@H](CC(=O)O)C1=CC=CC=C1 BB31-5414 [1,1,0,0,0,0|1,0,0]=3 69 B12R1.125 CC(=O)NCC1=C(Br)C=CC=C1 BB31-8714 [1,1,0,0,0,0|1,0,0]=3 70 B12R1.125 CC(=O)NCC1=C(O)C=CC=C1 BB31-8656 [1,1,0,0,0,0|1,0,0]=3 71 B12R1.4 CC(=O)NC1=CC=C(CN)C=C1 BB32-0934 [0,1,0,0,1,0|1,0,0]=3 72 B12R1.4 CC(=O)NC1=CC=C(CN)C=C1 BB32-1158 [0,1,0,0,1,0|1,0,0]=3 73 B12R1.4 COC1=CN=C(CC(=O)O)C=C1 BB32-0118 [0,1,0,0,1,0|2,0,0]=4 74 B12R1.19 CC(=O)CC1=CC(Cl)=C(Cl)C=C1 BB31-5747 [0,1,0,0,1,0|1,0,0]=3 75 B12R1.20 CC(C(=O)O)C1=CC=C(Br)C=C1 BB32-2376 [0,1,0,0,1,0|2,0,0]=4 76 B12R1.20 CC(C(=O)O)C1=CC=C(N)C=C1 BB32-3174 [0,1,0,0,1,0|2,0,0]=4 77 B12R1.20 CC1=CC=C([C@@H](N)C(C)C)C=C1 BB32-0151 [0,1,0,0,1,0|1,0,1]=4 78 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(Br)C=C1 BB32-0141 [0,1,0,0,1,0|2,0,0]=4 79 B12R1.233 CC(=O)NC1=C(I)C=C(Br)C=C1 BB32-2538 [0,1,0,0,1,0|2,0,0]=4 80 B12R1.233 NC1=C(CC(=O)O)C=CC(Cl)=C1 BB31-3653 [0,1,0,0,1,0|2,0,0]=4 81 B12R1.233 O=C(O)CC1=C(Br)C=C(O)C=C1 BB31-6426 [0,1,0,0,1,0|2,0,0]=4 82 B14R1.678 O=C(O)CCC(=O)C1=CC=C(O)C=C1 BB32-3517 [0,1,0,0,0,1|2,0,0]=4 83 B14R1.687 O=C(O)CCCC1=CC(Cl)=C(Cl)C=C1 BB31-4338 [0,1,0,0,0,1|2,0,0]=4 84 B14R1.687 O=C(O)CNCC1=CC(Cl)=C(Cl)C=C1 BB32-1769 [0,1,0,0,0,1|2,0,0]=4 85 B14R1.698 N[C@H](CC(=O)O)CC1=CC=C(Cl)C=C1 BB32-0893 [0,1,0,0,0,1|2,0,0]=4 86 B14R1.5 COC(=O)C#CC1=CC=C(OC)C=C1 BB31-7091 [0,2,0,0,0,0|0,0,2]=4 87 B14R1.5 COC(=O)CCC1=CC=C(C#N)C=C1 BB31-6898 [0,2,0,0,0,0|0,0,1]=3 88 B14R1.5 COC(=O)COC1=CC=C(C=O)C=C1 BB12-5455 [0,2,0,0,0,0|1,0,1]=4 89 B14R1.5 COC(=O)COC1=CC=C(CO)C=C1 BB12-5454 [0,2,0,0,0,0|1,0,0]=3 90 B14R1.142 CCOC1=CC=C(OCC(=O)Cl)C=C1 BB12-5426 [0,2,0,0,0,0|2,0,0]=4 91 B14R1.142 CCOC1=CC=C(OCC(=O)O)C=C1 BB12-5425 [0,2,0,0,0,0|2,0,0]=4 92 B14R1.142 CCOC1=CC=C(OCC(N)=O)C=C1 BB12-5427 [0,2,0,0,0,0|2,0,0]=4 93 B14R1.419 CC(=O)CCC1=CC=C([N+](=O)[O-])C=C1 BB31-4623 [0,2,0,0,0,0|1,0,0]=3 94 B14R1.419 CC(=O)NCC1=CC=C(B(O)O)C=C1 BB31-6770 [0,2,0,0,0,0|2,0,0]=4 95 B14R1.419 CC(=O)NCC1=CC=C(C(=O)O)C=C1 BB31-9269 [0,2,0,0,0,0|1,0,1]=4 96 B14R1.419 CC(=O)OCC1=CC=C(B(O)O)C=C1 BB32-1396 [0,2,0,0,0,0|2,0,0]=4 97 B14R1.419 NC(=O)CCC1=CC=C([N+](=O)[O-])C=C1 BB12-5409 [0,2,0,0,0,0|2,0,0]=4 98 B14R1.419 O=C(Cl)CCC1=CC=C([N+](=O)[O-])C=C1 BB12-5408 [0,2,0,0,0,0|2,0,0]=4 99 B14R1.3653 COC1=C(O)C=C(CCC(=O)O)C=C1 BB31-8944 [0,2,0,0,0,0|1,0,0]=3 100 B14R1.10 COC(=O)C[C@@H](N)C1=CC=C(Br)C=C1 BB31-5327 [0,2,0,0,0,0|1,0,0]=3 101 B14R1.134 COC(=O)[C@H](N)CC1=CC=C(Br)C=C1 BB31-2342 [0,2,0,0,0,0|1,0,0]=3 102 B14R1.134 COC(=O)[C@H](O)CC1=CC=C(F)C=C1 BB31-1105 [0,2,0,0,0,0|1,0,0]=3 103 B14R1.502 CC1=CC=C(OCC(=O)N=C=S)C=C1 BB12-5750 [0,2,0,0,0,0|1,0,1]=4 104 B14R1.502 CCOC(=O)COC1=CC=C(F)C=C1 BB31-6869 [0,2,0,0,0,0|2,0,0]=4 105 B14R1.502 CCOC(=O)COC1=CC=C(O)C=C1 BB32-1011 [0,2,0,0,0,0|2,0,0]=4 106 B14R1.502 CCOC(=O)CSC1=CC=C(Cl)C=C1 BB32-2445 [0,2,0,0,0,0|2,0,0]=4 107 B14R1.685 N[C@@H](CC(=O)O)C1=CC(F)=C(F)C=C1 BB32-2801 [0,2,0,0,0,0|2,0,0]=4 108 B14R1.685 N[C@H](CC(=O)O)C1=CC(F)=C(F)C=C1 BB32-0138 [0,2,0,0,0,0|2,0,0]=4 109 B14R1.694 CC(=O)NS(=O)(=O)C1=CC=C(C)C=C1 BB32-0611 [0,2,0,0,0,0|2,0,0]=4 110 B14R1.686 N[C@@H](CC1=CC(F)=C(O)C=C1)C(=O)O BB31-5790 [0,2,0,0,0,0|2,0,0]=4 111 B14R1.686 N[C@H](CC1=CC(F)=C(F)C=C1)C(=O)O BB31-4315 [0,2,0,0,0,0|2,0,0]=4 112 B14R1.6049 CC1=CC(C)=C(C[C@@H](N)C(=O)O)C=C1 BB31-7720 [0,2,0,0,0,0|1,0,0]=3 113 B14R1.6049 NC(CC1=C(F)C=C(Br)C=C1)C(=O)O BB32-2870 [0,2,0,0,0,0|2,0,0]=4 114 B14R1.7626 C[C@@](N)(CC1=CC=C(O)C=C1)C(=O)O BB31-7077 [0,2,0,0,0,0|2,0,0]=4 115 B14R1.3152 CC1=CC(C)=C(OCC(=O)O)C(C)=C1 BB31-2133 [0,2,0,0,0,0|2,0,0]=4 116 B12R2.24 BrC1=CC2=C(C=C1)CCOC2 BB31-2894 [1,0,0,1,0,0|2,0,0]=4 117 B12R2.24 CC1=CC2=C(C=C1)CCNC2 BB31-4100 [1,0,0,1,0,0|1,0,0]=3 118 B12R2.24 CC1=CC2=C(C=C1)CNCC2 BB32-1895 [1,0,0,1,0,0|1,0,1]=4 119 B12R2.132 O=C1CCC2=C1N=C(Cl)C=C2 BB31-0617 [1,0,0,1,0,0|2,0,0]=4 120 B12R2.132 O=C1CCC2=NC=C(Br)C=C12 BB31-1351 [1,0,0,1,0,0|2,0,0]=4 121 B12R2.2302 BrC1=CC=C(C2CCC2)C=C1 BB32-2056 [1,0,0,1,0,0|1,0,1]=4 122 B12R2.22 N[C@H]1C[C@H](C2=CC=CC=C2)C1 BB31-3001 [1,0,0,1,0,0|1,0,1]=4 123 B12R2.22 O=C1CC(C2=CC=CC=C2)N1 BB32-3180 [1,0,0,1,0,0|1,0,0]=3 124 B12R2.3190 O=C(O)C1CC2=C1C=CC=C2 BB31-2766 [1,0,0,1,0,0|1,0,0]=3 125 B12R2.606 CC1=CC2=C(C=C1)C=C(C)N2 BB32-3305 [0,0,0,1,1,0|1,0,1]=4 126 B12R2.606 CC1=CC2=C(C=C1)NC(=O)S2 BB32-2400 [0,0,0,1,1,0|2,0,0]=4 127 B12R2.606 CC1=CC2=C(CC(=O)N2)N=C1 BB31-0765 [0,0,0,1,1,0|2,0,0]=4 128 B12R2.606 O=C1CC2=C(C=C(Cl)C=C2)C1 BB31-4851 [0,0,0,1,1,0|1,0,0]=3 129 B12R2.606 O=C1CC2=C(C=CC(Br)=C2)O1 BB31-3316 [0,0,0,1,1,0|2,0,0]=4 130 B14R2.20 CC1=CC=C(C2=NNC(=O)C2)C=C1 BB52-7290 [0,0,0,1,0,1|1,0,1]=4 131 B14R2.380 NC1=CC2=C(C=C1)CCCC(=O)N2 BB31-7652 [0,0,0,1,0,1|2,0,0]=4 132 B14R2.4536 CC1=CC2=C(C=C1)NCCC2(C)C BB32-1893 [0,0,0,1,0,1|1,0,1]=4 133 B14R2.29365 O=C1CCC2=C(Br)C=C(Br)C=C2C1 BB31-2778 [0,1,0,1,0,0|1,0,0]=3 134 B14R2.8239 CC1=CC=C2OC(C)C(=O)NC2=C1 BB51-0721 [0,1,0,1,0,0|2,0,0]=4 135 B10R1.18 CC(=O)CC1=CN=CC=C1 BB32-2986 [1,0,0,0,1,0|1,0,0]=3 136 B10R1.66 CC(=O)CCN1C=CC=N1 BB52-8699 [1,0,0,0,1,0|2,0,0]=4 137 B10R1.66 O=C(O)CCC1=CC=CN1 BB32-1801 [1,0,0,0,1,0|2,0,0]=4 138 B10R1.13 CC(=O)C1=CN=C(C)N=C1 BB31-2353 [0,0,0,0,2,0|2,0,0]=4 139 B10R1.13 CC(=O)C1=CN=C(N)C=C1 BB31-3878 [0,0,0,0,2,0|2,0,0]=4 140 B10R1.13 CC(=O)C1=NC=C(O)C=C1 BB32-3774 [0,0,0,0,2,0|2,0,0]=4 141 B10R1.13 CC1=CC=C([S@](C)=O)C=C1 BB31-5404 [0,0,0,0,2,0|1,0,0]=3 142 B12R1.252 O=C(O)CCSC1=NC=CC=C1 BB53-1033 [1,0,0,0,0,1|2,0,0]=4 143 B12R1.252 O=C(O)CNCC1=CC=NC=C1 BB52-9214 [1,0,0,0,0,1|2,0,0]=4 144 B12R1.252 O=C(O)CNCC1=CN=CC=C1 BB52-9756 [1,0,0,0,0,1|2,0,0]=4 145 B12R1.252 O=C(O)CNCC1=NC=CC=C1 BB52-9714 [1,0,0,0,0,1|2,0,0]=4 146 B14R1.677 CC(=O)NCCSC1=CC=C(O)C=C1 BB31-5094 [0,0,0,0,0,2|1,0,0]=3 147 B14R1.677 O=C(O)CCCCC1=CC=C(Br)C=C1 BB32-1099 [0,0,0,0,0,2|2,0,0]=4 148 B14R1.677 O=C(O)CCCCC1=CC=C(Cl)C=C1 BB32-0724 [0,0,0,0,0,2|2,0,0]=4 149 B14R1.677 O=C(O)CCCCC1=CC=C(F)C=C1 BB31-4263 [0,0,0,0,0,2|2,0,0]=4