0 B12R1.34 COC(=O)C(Cl)C1=CC=CC=C1 BB12-7973 [0,0,0,0,0,0|3,0,1]=4 1 B12R1.34 COC(=O)C(N)C1=CC=CC=C1 BB05-3247 [0,0,0,0,0,0|3,0,1]=4 2 B11R1.16 COCC(=O)C1=CC=CC=C1 BB31-5695 [1,0,0,0,0,0|1,0,2]=4 3 B11R1.16 COC[C@@H](N)C1=CC=CC=C1 BB31-7522 [1,0,0,0,0,0|2,0,0]=3 4 B11R1.16 COC[C@H](N)C1=CC=CC=C1 BB32-3222 [1,0,0,0,0,0|2,0,0]=3 5 B11R1.16 N#CCC(O)C1=CC=CC=C1 BB31-7914 [1,0,0,0,0,0|2,0,0]=3 6 B11R1.16 OCCC(O)C1=CC=CC=C1 BB32-2523 [1,0,0,0,0,0|2,0,0]=3 7 B11R1.36 C=C(C1=CC=CC=C1)C(C)C BB31-3442 [1,0,0,0,0,0|1,0,1]=3 8 B11R1.36 CC(=O)C(N)C1=CC=CC=C1 BB32-1369 [1,0,0,0,0,0|2,0,1]=4 9 B11R1.36 CC(C)C(C)C1=CC=CC=C1 BB31-5345 [1,0,0,0,0,0|1,0,0]=2 10 B11R1.36 CC(C)[C@@H](N)C1=CC=CC=C1 BB31-5054 [1,0,0,0,0,0|1,0,0]=2 11 B11R1.36 CC(C)[C@H](N)C1=CC=CC=C1 BB31-7042 [1,0,0,0,0,0|1,0,0]=2 12 B11R1.40 CC(C#N)NC1=CC=CC=C1 BB32-1220 [1,0,0,0,0,0|3,0,0]=4 13 B11R1.40 NCC(O)CC1=CC=CC=C1 BB32-2349 [1,0,0,0,0,0|3,0,0]=4 14 B13R2.45 CCC1CC2=C(C=CC=C2)C1=O BB31-5677 [0,0,0,1,0,0|1,0,2]=4 15 B13R2.3085 CN1C(=O)C(N)C2=C1C=CC=C2 BB31-3288 [0,0,0,1,0,0|2,0,1]=4 16 B13R2.8137 N[C@H](C1=CC=CC=C1)C2CCC2 BB31-9339 [0,0,0,1,0,0|2,0,0]=3 17 B13R2.8138 NC(C1=CC=CC=C1)C2(O)CC2 BB32-0229 [0,0,0,1,0,0|3,0,0]=4 18 B13R1.135 CNC(=O)[C@@H](N)CC1=CC=CC=C1 BB31-5428 [0,0,0,0,0,1|2,0,1]=4 19 B10R1.15 C=C(CC)C1=CC=CC=C1 BB31-3793 [2,0,0,0,0,0|1,0,1]=4 20 B10R1.15 CCC(N)C1=CC=CN=C1 BB31-0914 [2,0,0,0,0,0|2,0,0]=4 21 B10R1.15 C[C@@H](CO)C1=CC=CC=C1 BB31-4000 [2,0,0,0,0,0|2,0,0]=4 22 B10R1.15 C[C@H](CO)C1=CC=CC=C1 BB31-5425 [2,0,0,0,0,0|2,0,0]=4 23 B10R1.17 CCCCC1=CC=CN=C1 BB31-4701 [2,0,0,0,0,0|2,0,0]=4 24 B10R1.18 CC(C)CC1=NC=CC=C1 BB31-5691 [2,0,0,0,0,0|1,0,0]=3 25 B12R1.16 CCC[C@H](N)C1=CC=C(F)C=C1 BB31-1752 [1,1,0,0,0,0|2,0,0]=4 26 B12R1.30 NC(CCCO)C1=CC=CC=C1 BB32-2038 [1,1,0,0,0,0|2,0,0]=4 27 B12R1.107 CC(C)C[C@H](N)C1=CC=CC=C1 BB31-1753 [1,1,0,0,0,0|2,0,0]=4 28 B12R1.20 CC(C)C(=O)C1=CC=C(Cl)C=C1 BB31-8211 [1,1,0,0,0,0|0,0,2]=4 29 B12R1.20 CC(C)C(=O)C1=CC=C(O)C=C1 BB32-2115 [1,1,0,0,0,0|0,0,2]=4 30 B12R1.20 CC(C)[C@@H](N)C1=CC=C(F)C=C1 BB31-9782 [1,1,0,0,0,0|1,0,0]=3 31 B12R1.20 CC(C)[C@H](N)C1=CC=C(Br)C=C1 BB32-0150 [1,1,0,0,0,0|1,0,0]=3 32 B12R1.20 CC(C)[C@H](N)C1=CC=C(F)C=C1 BB31-9783 [1,1,0,0,0,0|1,0,0]=3 33 B12R1.20 CC1=CC=C([C@@H](N)C(C)C)C=C1 BB32-0151 [1,1,0,0,0,0|1,0,0]=3 34 B12R1.225 CC(C)[C@@H](N)C1=CC=CC(Cl)=C1 BB31-9733 [1,1,0,0,0,0|1,0,0]=3 35 B12R1.478 CC(C)[C@H](CN)C1=CC=CC=C1 BB31-4663 [1,1,0,0,0,0|1,0,0]=3 36 B12R1.32 COC[C@@H](N)CC1=CC=CC=C1 BB32-3592 [1,1,0,0,0,0|2,0,0]=4 37 B12R2.2 C1=CC=C([C@@H]2CCCN2)C=C1 BB32-3315 [1,0,0,1,0,0|2,0,0]=4 38 B12R2.2 C1=CC=C([C@H]2CCCN2)C=C1 BB32-3398 [1,0,0,1,0,0|2,0,0]=4 39 B12R2.2 C1=CN=CC(C2CCNC2)=C1 BB32-3380 [1,0,0,1,0,0|2,0,0]=4 40 B12R2.116 NC1(C2=CC=CC=C2)CCC1 BB31-5544 [1,0,0,1,0,0|2,0,0]=4 41 B12R2.116 NC1(C2=CC=CC=C2)COC1 BB31-5222 [1,0,0,1,0,0|2,0,0]=4 42 B12R2.116 OC1(C2=CC=CC=C2)CNC1 BB32-1141 [1,0,0,1,0,0|0,0,0]=2 43 B12R2.116 OC1(C2=CC=CC=C2)CNC1 BB32-2731 [1,0,0,1,0,0|0,0,0]=2 44 B12R2.116 OC1(C2=CC=CC=C2)COC1 BB31-6968 [1,0,0,1,0,0|1,0,0]=3 45 B12R2.1081 N[C@@H]1CCCC2=C1C=CC=C2 BB32-1584 [1,0,0,1,0,0|2,0,0]=4 46 B12R2.1081 OC1COCC2=C1C=CC=C2 BB31-4134 [1,0,0,1,0,0|1,0,0]=3 47 B12R2.1081 O[C@@H]1CCCC2=C1C=CC=C2 BB31-4223 [1,0,0,1,0,0|1,0,0]=3 48 B12R2.2075 NC(C1=CC=CC=C1)C2CC2 BB31-5520 [1,0,0,1,0,0|2,0,0]=4 49 B12R2.2075 N[C@@H](C1=CC=CC=C1)C2CC2 BB31-7748 [1,0,0,1,0,0|2,0,0]=4 50 B12R2.2075 OC(C1=CN=CC=C1)C2CC2 BB31-2948 [1,0,0,1,0,0|2,0,0]=4 51 B12R2.24 CC1CNC2=C(C=CC=C2)C1 BB31-4086 [1,0,0,1,0,0|2,0,0]=4 52 B12R2.24 CN1CCC2=C(C=CC=C2)C1 BB32-2641 [1,0,0,1,0,0|2,0,0]=4 53 B12R2.32 C#CC1CC2=C(C=CC=C2)C1 BB32-0346 [1,0,0,1,0,0|1,0,1]=4 54 B12R2.32 O=CC1CC2=C(C=CC=C2)C1 BB32-1577 [1,0,0,1,0,0|2,0,0]=4 55 B12R2.32 OCC1CC2=C(C=CC=C2)C1 BB32-2348 [1,0,0,1,0,0|2,0,0]=4 56 B12R1.27 C[C@@H](CO)OCC1=CC=CC=C1 BB32-1672 [1,0,0,0,0,1|2,0,0]=4