0 B12R1.118 CN[C@H](CO)CC1=CC=CC=C1 N12599 [0,0,0,0,0,0|3,0,0]=3 1 B12R1.118 N#C[C@H](CO)CC1=CC=CC=C1 AC5751 [0,0,0,0,0,0|4,0,0]=4 2 B12R1.118 OCC(CO)CC1=CC=CC=C1 20620 [0,0,0,0,0,0|4,0,0]=4 3 B11R1.40 C#C[C@@H](O)CC1=CC=CC=C1 C75175 [1,0,0,0,0,0|1,0,1]=3 4 B11R1.40 C=C[C@@H](N)CC1=CC=CC=C1 Y10008 [1,0,0,0,0,0|2,0,1]=4 5 B11R1.40 COC(=O)CC1=CN=CC=C1 31754 [1,0,0,0,0,0|1,0,2]=4 6 B11R1.40 C[C@@H](C#N)NC1=CC=CC=C1 81451 [1,0,0,0,0,0|3,0,0]=4 7 B11R1.40 C[C@@H](CN)OC1=CC=CC=C1 AR3791 [1,0,0,0,0,0|3,0,0]=4 8 B11R1.40 OC[C@@H](Br)CC1=CC=CC=C1 D80460 [1,0,0,0,0,0|3,0,0]=4 9 B13R2.57 OC[C@H]1CC2=C(C=CC=C2)CN1 24600 [0,0,0,1,0,0|3,0,0]=4 10 B13R2.64 C1=CC=C(C[C@H]2CCCN2)C=C1 83644 [0,0,0,1,0,0|2,0,0]=3 11 B13R2.64 C1=CC=C(C[C@H]2CCNC2)C=C1 C78600 [0,0,0,1,0,0|3,0,0]=4 12 B13R2.64 C1=CN=CC(C[C@H]2CCCN2)=C1 AR1097 [0,0,0,1,0,0|3,0,0]=4 13 B13R2.101 C#CC1(CC2=CC=CC=C2)CC1 P17596 [0,0,0,1,0,0|2,0,1]=4 14 B11R1.12 CN[C@@H](CO)C1=CC=CC=C1 Y10222 [0,0,0,0,1,0|3,0,0]=4 15 B10R1.17 CCCCC1=CC=NC=C1 BL000376 [2,0,0,0,0,0|2,0,0]=4 16 B10R1.17 CCCOC1=CC=CC=C1 C75927 [2,0,0,0,0,0|2,0,0]=4 17 B10R1.17 CCNCC1=CC=CC=C1 D77748 [2,0,0,0,0,0|2,0,0]=4 18 B10R1.17 CNCCC1=CC=CN=C1 AR1271 [2,0,0,0,0,0|2,0,0]=4 19 B10R1.17 CNNCC1=CC=CC=C1 30192 [2,0,0,0,0,0|2,0,0]=4 20 B10R1.17 ICCCC1=CC=CC=C1 AC6098 [2,0,0,0,0,0|2,0,0]=4 21 B10R1.17 [C-]#[N+]CCC1=CC=CC=C1 50056 [2,0,0,0,0,0|1,0,1]=4 22 B10R1.18 C[C@H](N)CC1=NC=CC=C1 C80024 [2,0,0,0,0,0|2,0,0]=4 23 B12R1.32 COC[C@@H](N)CC1=CC=CC=C1 AB9579 [1,1,0,0,0,0|1,0,0]=3 24 B12R1.32 COC[C@@H](N)CC1=CC=CC=C1 AB9580 [1,1,0,0,0,0|1,0,0]=3 25 B12R1.34 CCC(C)C(N)C1=CC=CC=C1 FD10503 [1,1,0,0,0,0|1,0,0]=3 26 B12R1.34 CCC(C)[C@H](N)C1=CC=CC=C1 F31005 [1,1,0,0,0,0|1,0,0]=3 27 B12R1.34 COC(=O)[C@H](C)C1=CC=CC=C1 W18371 [1,1,0,0,0,0|0,0,2]=4 28 B12R1.34 COC(=O)[C@H](F)C1=CC=CC=C1 O11875 [1,1,0,0,0,0|0,0,2]=4 29 B12R1.43 CC(=O)[C@@H](C)CC1=CC=CC=C1 Y10616 [1,1,0,0,0,0|1,0,0]=3 30 B12R1.371 COC(=O)CC1=C(I)C=CC=C1 D93618 [1,1,0,0,0,0|0,0,2]=4 31 B12R1.371 COC(=O)CC1=C(N)C=CC=C1 26282 [1,1,0,0,0,0|0,0,2]=4 32 B12R1.371 COC(=O)CC1=C(N)C=CC=C1 35782 [1,1,0,0,0,0|0,0,2]=4 33 B14R1.547 COC(CNC1=CC(Cl)=NC=N1)OC 30078 [0,1,0,0,0,1|2,0,0]=4 34 B14R1.1031 CN[C@@H](CC1=CC=CC=C1)C(=O)OC F10718 [0,2,0,0,0,0|1,0,0]=3 35 B14R1.536 CO[C@@H](CC1=CC=C(N)C=C1)C(=O)O D81366 [0,2,0,0,0,0|2,0,0]=4 36 B12R2.18 CC1NC2=C(C=CC=C2)C1C C74121 [1,0,0,1,0,0|2,0,0]=4 37 B12R2.18 N[C@@H]1C2=C(C=CC=C2)C[C@H]1O C10104 [1,0,0,1,0,0|2,0,0]=4 38 B12R2.23 NC1CCC1C2=CC=CC=C2 84062 [1,0,0,1,0,0|2,0,0]=4 39 B12R2.24 CN1CCC2=C(C=CC=C2)C1 66638 [1,0,0,1,0,0|2,0,0]=4 40 B12R2.24 CN1CCC2=C(C=CC=C2)C1 O10829 [1,0,0,1,0,0|2,0,0]=4 41 B12R2.24 N[C@H]1CCC2=C(C=CC=C2)C1 69307 [1,0,0,1,0,0|2,0,0]=4 42 B12R2.24 N[C@H]1CCC2=C(C=CC=C2)C1 69309 [1,0,0,1,0,0|2,0,0]=4 43 B12R2.24 O[C@@H]1CNC2=C(C=CC=C2)C1 P11165 [1,0,0,1,0,0|2,0,0]=4 44 B12R2.24 O[C@@H]1CNC2=C(C=CC=C2)C1 P12593 [1,0,0,1,0,0|2,0,0]=4 45 B12R2.24 O[C@@H]1CNC2=C(C=CC=C2)C1 P17350 [1,0,0,1,0,0|2,0,0]=4 46 B12R2.27 OCC1CC1C2=CC=CC=C2 Y11022 [1,0,0,1,0,0|2,0,0]=4 47 B12R2.27 OC[C@@H]1C[C@@H]1C2=CC=CC=C2 55231 [1,0,0,1,0,0|2,0,0]=4 48 B12R2.27 OC[C@H]1C[C@@H]1C2=CC=CC=C2 55237 [1,0,0,1,0,0|2,0,0]=4 49 B12R2.32 BrCC1CC2=C(C=CC=C2)C1 83149 [1,0,0,1,0,0|2,0,0]=4 50 B12R2.32 OC[C@H]1CC2=C(C=CC=C2)O1 25158 [1,0,0,1,0,0|2,0,0]=4 51 B12R2.94 OC1(CC2=CC=CC=C2)CC1 W18583 [1,0,0,1,0,0|1,0,0]=3 52 B12R2.2058 C1=CC=C(CC2CNC2)C=C1 A50762 [1,0,0,1,0,0|2,0,0]=4 53 B12R2.2058 C1=CC=C(NC2CCC2)C=C1 W12187 [1,0,0,1,0,0|2,0,0]=4 54 B12R2.1 CO[C@H]1OCC2=C1C=CC=C2 T71210 [0,0,0,1,1,0|0,0,0]=2 55 B12R2.2 C1=CC(C2OCCO2)=CN=C1 20730 [0,0,0,1,1,0|1,0,0]=3 56 B12R2.2 C1=CC=C([C@@H]2CCCN2)C=C1 59896 [0,0,0,1,1,0|2,0,0]=4 57 B12R2.2 C1=CC=C([C@@H]2CCCN2)C=C1 59947 [0,0,0,1,1,0|2,0,0]=4 58 B12R2.2 C1=CC=C([C@@H]2CCCN2)C=C1 N11212 [0,0,0,1,1,0|2,0,0]=4 59 B14R2.101 C1=CC=C(OC[C@H]2CCCN2)C=C1 C77851 [0,0,0,1,0,1|2,0,0]=4 60 B14R2.6 C1=CC=C(C[C@H]2CCCCN2)C=C1 73429 [0,1,0,1,0,0|2,0,0]=4 61 B14R2.6 C1=CC=C(C[C@H]2CNCCN2)C=C1 AT17628 [0,1,0,1,0,0|2,0,0]=4 62 B14R2.6 C1=CC=C(C[C@H]2CNCCO2)C=C1 98131 [0,1,0,1,0,0|1,0,0]=3 63 B14R2.6 C1=CC=C(C[C@H]2COCCN2)C=C1 77673 [0,1,0,1,0,0|1,0,0]=3 64 B14R2.6 C1=CC=C(C[C@H]2COCCN2)C=C1 FD6024 [0,1,0,1,0,0|1,0,0]=3 65 B14R2.2972 OCC1(CC2=CC=CC=C2)COC1 P19504 [0,1,0,1,0,0|2,0,0]=4 66 B14R2.781 CC(O)C1CC2=C(C=CC=C2)CN1 D79339 [0,1,0,1,0,0|2,0,0]=4 67 B10R1.15 C#C[C@@H](O)C1=CC=CC=C1 31291 [1,0,0,0,1,0|1,0,1]=4 68 B10R1.15 C#C[C@@H](O)C1=CC=CC=C1 32646 [1,0,0,0,1,0|1,0,1]=4 69 B10R1.15 CCN(C)C1=CC=CC=C1 S10715 [1,0,0,0,1,0|2,0,0]=4 70 B10R1.15 CC[C@H](Br)C1=CC=CC=C1 A11640 [1,0,0,0,1,0|2,0,0]=4 71 B10R1.15 CC[C@H](O)C1=CC=CC=C1 T71858 [1,0,0,0,1,0|1,0,0]=3 72 B10R1.15 CC[C@H](O)C1=CC=CC=C1 T72707 [1,0,0,0,1,0|1,0,0]=3 73 B10R1.15 O[C@@H](CF)C1=CC=CC=C1 C91661 [1,0,0,0,1,0|2,0,0]=4 74 B12R1.27 COC(=O)NCC1=CC=CC=C1 C75727 [1,0,0,0,0,1|0,0,2]=4 75 B12R1.27 C[C@@H](CO)OCC1=CC=CC=C1 Y10083 [1,0,0,0,0,1|2,0,0]=4 76 B12R1.27 O[C@H](CCl)COC1=CC=CC=C1 N13287 [1,0,0,0,0,1|2,0,0]=4