0 B12R1.21 CN(C)CCC1=CC=C(N)C=C1 2448AJ [0,0,0,0,0,0|4,0,0]=4 1 B12R1.21 CN(C)CCC1=CC=C(O)C=C1 5087AF [0,0,0,0,0,0|3,0,0]=3 2 B12R1.21 NC(=O)CSC1=CC=C(Cl)C=C1 9791AD [0,0,0,0,0,0|2,0,0]=2 3 B12R1.21 NC(=O)\C=C\C1=CC=C(O)C=C1 W2119 [0,0,0,0,0,0|0,0,2]=2 4 B12R1.21 NC(=S)NNC1=CC=C(Cl)C=C1 9024AE [0,0,0,0,0,0|3,1,0]=4 5 B12R1.21 O=C(O)\C=C\C1=CC=C(I)C=C1 X5622 [0,0,0,0,0,0|2,0,2]=4 6 B12R1.21 O=[N+]([O-])CCC1=CC=C(F)C=C1 Y6522 [0,0,0,0,0,0|3,0,0]=3 7 B11R1.1 O=C=NCC1=CC=C(Cl)C=C1 Y2054 [1,0,0,0,0,0|2,0,1]=4 8 B11R1.1 O=C=NCC1=CC=C(F)C=C1 3773AD [1,0,0,0,0,0|2,0,1]=4 9 B11R1.91 CC(=S)OCC1=CC=CC=C1 S494 [1,0,0,0,0,0|2,1,0]=4 10 B11R1.91 C[C@@H](N)CCC1=CC=CC=C1 5944AC [1,0,0,0,0,0|1,0,1]=3 11 B11R1.91 N=C(N)COC1=CC=CC=C1 5598AJ [1,0,0,0,0,0|2,0,0]=3 12 B11R1.91 NC(=S)CSC1=CC=CC=C1 Y9579 [1,0,0,0,0,0|1,1,0]=3 13 B11R1.91 O=C(O)C=CC1=CC=CC=C1 9667AL [1,0,0,0,0,0|1,0,2]=4 14 B11R1.91 O=C(O)CNC1=CC=NC=C1 7631AE [1,0,0,0,0,0|3,0,0]=4 15 B11R1.91 O=C(O)CNC1=CC=NC=C1 Z3284 [1,0,0,0,0,0|3,0,0]=4 16 B11R1.91 O=C([O-])COC1=CC=CC=C1 I578 [1,0,0,0,0,0|2,0,0]=3 17 B11R1.91 O=[N+]([O-])CCC1=CC=CN=C1 Y5918 [1,0,0,0,0,0|3,0,0]=4 18 B13R1.3 COC1=CC=C(CCC(=O)Cl)C=C1 L366 [0,1,0,0,0,0|1,0,0]=2 19 B13R1.3 COC1=CC=C(CC[N+](=O)[O-])C=C1 Y6171 [0,1,0,0,0,0|2,0,0]=3 20 B13R1.3 COC1=CC=C(CNC(N)=S)C=C1 1869AE [0,1,0,0,0,0|1,1,0]=3 21 B13R1.3 COC1=CC=C(\C=C\C(=O)Cl)C=C1 5946AB [0,1,0,0,0,0|1,0,2]=4 22 B13R1.132 CC(=O)CC(=O)C1=CC=C(Cl)C=C1 V6995 [0,1,0,0,0,0|2,0,1]=4 23 B13R1.133 O=C(O)C(O)CC1=CC=C(O)C=C1 3229AB [0,1,0,0,0,0|1,0,0]=2 24 B13R1.133 O=C(O)C(O)CC1=CC=C(O)C=C1 7792AL [0,1,0,0,0,0|1,0,0]=2 25 B13R1.164 NC(=O)COC1=CC=C(Cl)C=C1Cl S525 [0,1,0,0,0,0|2,0,0]=3 26 B13R1.164 O=C(O)CCC1=CC=C(F)C=C1Cl W3814 [0,1,0,0,0,0|2,0,0]=3 27 B13R1.164 O=C([O-])COC1=C(Cl)C=C(Cl)C=C1 8970AL [0,1,0,0,0,0|3,0,0]=4 28 B13R1.511 CC(=O)\C=C\C1=CC=C(O)C(O)=C1 Y0152 [0,1,0,0,0,0|1,0,2]=4 29 B13R2.155 CC1=CC=C2CCC(=O)NC2=N1 3728AJ [0,0,0,1,0,0|2,0,0]=3 30 B13R2.155 NC1=CC2=C(C=C1)CCC(N)C2 9581AH [0,0,0,1,0,0|2,0,1]=4 31 B13R2.155 NC1CCC2=CC=C(Cl)C=C2C1 1540AJ [0,0,0,1,0,0|2,0,1]=4 32 B13R2.155 NC1CCC2=CC=C(O)C=C2C1 3649AJ [0,0,0,1,0,0|1,0,1]=3 33 B13R2.155 NC1CCC2=CC=C(O)C=C2C1 6075AC [0,0,0,1,0,0|1,0,1]=3 34 B13R2.155 N[C@@H]1CCC2=C(C=C(O)C=C2)C1 W8836 [0,0,0,1,0,0|1,0,1]=3 35 B13R2.155 N[C@H]1CCC2=C(C=C(O)C=C2)C1 W8835 [0,0,0,1,0,0|1,0,1]=3 36 B13R2.155 N[C@H]1CCC2=CC=C(O)C=C2C1 9199AH [0,0,0,1,0,0|1,0,1]=3 37 B13R2.155 O=C1COC2=CC=C(F)C=C2C1 6196AC [0,0,0,1,0,0|3,0,0]=4 38 B11R1.20 CC(=O)NC1=CC=C(N)C=C1 7899AF [0,0,0,0,1,0|3,0,0]=4 39 B11R1.20 CC(N)CC1=CC=C(Br)C=C1 1424AL [0,0,0,0,1,0|2,0,1]=4 40 B11R1.20 CC(N)CC1=CC=C(Cl)C=C1 Y9701 [0,0,0,0,1,0|2,0,1]=4 41 B11R1.20 CC1=CC=C(NC(=N)N)C=C1 9852AE [0,0,0,0,1,0|3,0,0]=4 42 B11R1.20 O=C(Cl)OC1=CC=C(Br)C=C1 1996AC [0,0,0,0,1,0|3,0,0]=4 43 B11R1.20 O=C(Cl)OC1=CC=C(F)C=C1 8150AJ [0,0,0,0,1,0|3,0,0]=4 44 B10R1.1 CC1=CC=C(CC=O)C=C1 U064 [2,0,0,0,0,0|1,0,0]=3 45 B10R1.1 CNCC1=CC=C(O)C=C1 9883AL [2,0,0,0,0,0|1,0,1]=4 46 B10R1.1 O=CCC1=CC=C(O)C=C1 Y9945 [2,0,0,0,0,0|0,0,0]=2 47 B10R1.17 Cl[Mg]CCC1=CC=CC=C1 8993AJ [2,0,0,0,0,0|2,0,0]=4 48 B10R1.17 NNCCC1=CC=CC=C1 5405AE [2,0,0,0,0,0|1,0,0]=3 49 B12R1.1 NCCNCC1=CC=C(Cl)C=C1 5156AE [1,1,0,0,0,0|1,0,1]=4 50 B12R1.71 CNCCC1=CC=C(OC)C=C1 9307AH [1,1,0,0,0,0|2,0,0]=4 51 B12R1.71 COC1=CC=C(CCCCl)C=C1 6395AE [1,1,0,0,0,0|1,0,1]=4 52 B12R1.71 COC1=CC=C(COC=O)C=C1 8085AF [1,1,0,0,0,0|1,0,0]=3 53 B12R1.27 NCC(=O)OCC1=CC=CC=C1 3139AL [1,1,0,0,0,0|1,0,0]=3 54 B12R1.43 O=C(O)[C@@H](Cl)CC1=CC=CC=C1 Z6054 [1,1,0,0,0,0|1,0,0]=3 55 B12R1.107 CC(=O)NC(C)C1=CC=CC=C1 7150AJ [1,1,0,0,0,0|2,0,0]=4 56 B12R1.107 NC(=O)CC(N)C1=CC=CN=C1 2028AC [1,1,0,0,0,0|1,0,0]=3 57 B12R1.125 CC(=O)OCC1=C(C)C=CC=C1 5689AF [1,1,0,0,0,0|2,0,0]=4 58 B12R1.125 CC1=CC=CC=C1NCC(=O)O 7454AD [1,1,0,0,0,0|2,0,0]=4 59 B12R1.125 O=C(Cl)OCC1=CC=CC=C1Cl 5179AB [1,1,0,0,0,0|2,0,0]=4 60 B12R1.226 O=[N+]([O-])CCC1=CC(F)=CC=C1 Y5848 [1,1,0,0,0,0|2,0,0]=4 61 B12R1.4 CC(=O)NC1=CC=C(O[13CH3])C=C1 8794AJ [0,1,0,0,1,0|2,0,0]=4 62 B12R1.4 COC1=CC=C(CC(C)N)C=C1 T812 [0,1,0,0,1,0|1,0,1]=4 63 B12R1.4 COC1=CC=C(C[C@@H](C)N)C=C1 8764AB [0,1,0,0,1,0|1,0,1]=4 64 B12R1.19 CC(=O)CC1=CC(O)=C(O)C=C1 0035AP [0,1,0,0,1,0|1,0,0]=3 65 B12R1.19 CC(=O)CC1=CC=C(O)C(O)=C1 1952AB [0,1,0,0,1,0|1,0,0]=3 66 B12R1.20 NC(C(=O)O)C1=CC=C(I)C=C1 3076AB [0,1,0,0,1,0|2,0,0]=4 67 B12R1.20 NC1=CC=C([C@@H](N)C(=O)O)C=C1 4448AB [0,1,0,0,1,0|2,0,0]=4 68 B12R1.20 O=C(O)[C@H](O)C1=CC=C(O)C=C1 5973AA [0,1,0,0,1,0|1,0,0]=3 69 B12R1.233 O=C(O)CC1=CC=C(F)C=C1Cl X2678 [0,1,0,0,1,0|2,0,0]=4 70 B12R1.233 O=C(O)CC1=CC=C(O)C=C1O W1999 [0,1,0,0,1,0|1,0,0]=3 71 B14R1.4 N#CC1=CC=C(OCCC(=O)O)C=C1 5656AJ [0,1,0,0,0,1|2,0,0]=4 72 B14R1.3 COC1=CC=C(C[C@H](N)C(=O)O)C=C1 7598AH [0,2,0,0,0,0|1,0,0]=3 73 B14R1.5 COC(=O)CCC1=CC=C(C#N)C=C1 Y6272 [0,2,0,0,0,0|2,0,0]=4 74 B14R1.419 CC(=O)CCC1=CC=C([N+](=O)[O-])C=C1 3264AB [0,2,0,0,0,0|1,0,1]=4 75 B14R1.134 COC(=O)C(N)CC1=CC=C(O)C=C1 R935 [0,2,0,0,0,0|1,0,0]=3 76 B14R1.502 CCCC(=O)CCC1=CC=C(F)C=C1 9481AH [0,2,0,0,0,0|2,0,0]=4 77 B14R1.132 CC(C(=O)O)C(N)C1=CC=C(O)C=C1 2129AJ [0,2,0,0,0,0|1,0,0]=3 78 B14R1.132 N[C@H](C1=CC=C(F)C=C1)[C@@H](O)C(=O)O 8124AB [0,2,0,0,0,0|2,0,0]=4 79 B14R1.536 CN[C@@H](CC1=CC=C(O)C=C1)C(=O)O 0568AP [0,2,0,0,0,0|1,0,0]=3 80 B14R1.536 CN[C@H](CC1=CC=C(O)C=C1)C(=O)O Z5694 [0,2,0,0,0,0|1,0,0]=3 81 B14R1.686 NC1=C(O)C=CC(C[C@H](N)C(=O)O)=C1 5288AH [0,2,0,0,0,0|1,0,0]=3 82 B14R1.7626 CC(N)(CC1=CC=C(Br)C=C1)C(=O)O 1477AJ [0,2,0,0,0,0|2,0,0]=4 83 B14R1.7626 C[C@@](N)(CC1=CC=C(Br)C=C1)C(=O)O 8549AH [0,2,0,0,0,0|2,0,0]=4 84 B14R1.7626 C[C@@](N)(CC1=CC=C(I)C=C1)C(=O)O 0602AP [0,2,0,0,0,0|2,0,0]=4 85 B14R1.7626 C[C@](N)(CC1=CC=C(Br)C=C1)C(=O)O 9202AH [0,2,0,0,0,0|2,0,0]=4 86 B14R1.7626 C[C@](N)(CC1=CC=C(I)C=C1)C(=O)O 0617AP [0,2,0,0,0,0|2,0,0]=4 87 B12R2.79 NC1CC1C2=CC=C(Cl)C=C2 1165AJ [1,0,0,1,0,0|1,0,1]=4 88 B12R2.132 NC1CCC2=CC=C(F)C=C21 3539AJ [1,0,0,1,0,0|1,0,1]=4 89 B12R2.132 O=C1CNC2=CC=C(Br)C=C12 9806AB [1,0,0,1,0,0|2,0,0]=4 90 B14R2.4402 NC1=CC=C(C2CC2C(=O)O)C=C1 1129AJ [0,0,0,1,0,1|2,0,0]=4 91 B14R2.134 COC1=CC2=C(C=C1)CC[C@@H](N)C2 9029AH [0,1,0,1,0,0|1,0,1]=4 92 B14R2.134 COC1=CC2=C(C=C1)CC[C@@H](N)C2 9030AH [0,1,0,1,0,0|1,0,1]=4 93 B14R2.134 COC1=CC2=C(C=C1)CC[C@H](N)C2 3765AA [0,1,0,1,0,0|1,0,1]=4 94 B14R2.134 COC1=CC2=C(C=C1)CC[C@H](N)C2 9201AH [0,1,0,1,0,0|1,0,1]=4 95 B14R2.134 COC1=CC=C2NCC(=O)NC2=C1 8131AB [0,1,0,1,0,0|1,0,0]=3 96 B14R2.134 NCC1=CC=C2OCC(=O)NC2=C1 3421AJ [0,1,0,1,0,0|2,0,0]=4 97 B10R1.18 NC(N)=NC1=CC=CC=C1 Y8090 [1,0,0,0,1,0|2,0,0]=4 98 B10R1.18 O=[N+]([O-])CC1=CC=CC=C1 9362AB [1,0,0,0,1,0|2,0,0]=4 99 B10R1.13 C[C@@H](N)C1=CC=C(O)C=C1 3889AD [0,0,0,0,2,0|1,0,1]=4 100 B10R1.13 N=C(N)C1=CC=C(Cl)C=C1 0105AB [0,0,0,0,2,0|2,0,0]=4 101 B10R1.13 N=C(N)C1=CC=C(F)C=C1 Y5354 [0,0,0,0,2,0|2,0,0]=4 102 B10R1.13 NC1=CC=C(C(=O)O)C=C1 5560AH [0,0,0,0,2,0|2,0,0]=4 103 B10R1.13 O=C(Cl)C1=CC=C(Br)C=C1 D232 [0,0,0,0,2,0|2,0,0]=4 104 B12R1.252 O=C(O)CCNC1=NC=CC=C1 1093AA [1,0,0,0,0,1|2,0,0]=4