0 B12R1.252 O=C(O)CCNC1=CC=CC=C1 CS-W021779 [0,0,0,0,0,0|1,0,0]=1 1 B13R1.351 C[C@@H](OCC1=CC=CC=C1)C(=O)O CS-M3394 [0,1,0,0,0,0|1,0,0]=2 2 B13R1.351 C[C@H](OCC1=CC=CC=C1)C(=O)O CS-M0016 [0,1,0,0,0,0|1,0,0]=2 3 B13R1.351 N[C@@H](CCC1=CC=CC=C1)C(=O)O CS-M2900 [0,1,0,0,0,0|0,0,0]=1 4 B13R1.351 N[C@@H](CSC1=CC=CC=C1)C(=O)O CS-0033656 [0,1,0,0,0,0|1,0,0]=2 5 B13R1.351 O=C(O)C(=O)CCC1=CC=CC=C1 CS-W019322 [0,1,0,0,0,0|0,0,1]=2 6 B13R1.718 COC(=O)CCCC1=CC=CC=C1 CS-D0496 [0,1,0,0,0,0|0,0,0]=1 7 B13R1.718 COC(=O)CNCC1=CC=CC=C1 CS-W022790 [0,1,0,0,0,0|1,0,0]=2 8 B13R2.10 O=C1CC(C2=CC=CC=C2)CN1 CS-W018637 [0,0,0,1,0,0|2,0,0]=3 9 B13R2.10 [C@@H]1(C2=CC=CC=C2)COC(O)=N1 CS-W017924 [0,0,0,1,0,0|2,0,0]=3 10 B13R2.72 CC(=O)N1CCC2=CC=CC=C21 CS-W010870 [0,0,0,1,0,0|2,0,0]=3 11 B13R2.72 O=C(O)C1=CSC2=CC=CC=C21 CS-W008166 [0,0,0,1,0,0|1,0,2]=4 12 B11R1.91 CC(=O)NNC1=CC=CC=C1 CS-W018141 [0,0,0,0,1,0|3,0,0]=4 13 B11R1.91 NC(=O)\C=C\C1=CC=CC=C1 CS-W018211 [0,0,0,0,1,0|1,0,2]=4 14 B11R1.91 O=C(O)C#CC1=CC=CC=C1 CS-W007319 [0,0,0,0,1,0|0,0,2]=3 15 B11R1.91 O=C(O)COC1=CC=CC=C1 CS-0013736 [0,0,0,0,1,0|1,0,0]=2 16 B11R1.91 O=C(O)\C=C\C1=CC=CN=C1 CS-0031477 [0,0,0,0,1,0|1,0,2]=4 17 B11R1.172 O=C(O)CCCC1=CC=CS1 CS-W020036 [0,0,0,0,1,0|1,0,0]=2 18 B10R1.17 C#CCCC1=CC=CC=C1 CS-0081605 [2,0,0,0,0,0|0,0,2]=4 19 B10R1.17 C=CCOC1=CC=CC=C1 CS-W013371 [2,0,0,0,0,0|1,0,1]=4 20 B10R1.17 CCNCC1=CC=CC=C1 CS-W013340 [2,0,0,0,0,0|1,0,1]=4 21 B10R1.17 NCCNC1=CC=CC=C1 CS-0045385 [2,0,0,0,0,0|2,0,0]=4 22 B10R1.17 OCC#CC1=CC=CC=C1 CS-W007420 [2,0,0,0,0,0|0,0,2]=4 23 B12R1.8 BrCCCCOC1=CC=CC=C1 CS-B0148 [1,1,0,0,0,0|1,0,1]=4 24 B12R1.8 OCCCOCC1=CC=CC=C1 CS-W004789 [1,1,0,0,0,0|0,0,1]=3 25 B12R1.27 C[C@@H](CO)NCC1=CC=CC=C1 CS-M1051 [1,1,0,0,0,0|1,0,1]=4 26 B12R1.21 C(C(=O)O)=CC1=CC=C(Br)C=C1 CS-W013013 [0,1,0,0,1,0|0,0,2]=4 27 B12R1.21 O=C(O)CCC1=CC=C(Br)C=C1 CS-W019863 [0,1,0,0,1,0|0,0,0]=2 28 B12R1.43 CC(OC1=CC=CC=C1)C(=O)O CS-W021018 [0,1,0,0,1,0|1,0,0]=3 29 B12R1.43 NC(CC1=CC=CC=C1)C(=O)O CS-W018529 [0,1,0,0,1,0|0,0,0]=2 30 B12R1.43 N[C@@H](CC1=CC=NC=C1)C(=O)O CS-0041637 [0,1,0,0,1,0|1,0,0]=3 31 B12R1.43 N[C@H](CC1=CC=CC=C1)C(=O)O CS-0042547 [0,1,0,0,1,0|0,0,0]=2 32 B12R1.43 N[C@H](CC1=CC=NC=C1)C(=O)O CS-0041636 [0,1,0,0,1,0|1,0,0]=3 33 B12R1.43 [C@H](N)(CC1=CC=CC=C1)C(=N)O CS-W015584 [0,1,0,0,1,0|1,0,0]=3 34 B12R1.107 CC(=O)N[C@H](C)C1=CC=CC=C1 CS-M0683 [0,1,0,0,1,0|2,0,0]=4 35 B12R1.107 NC(CC(=O)O)C1=CC=CN=C1 CS-0019256 [0,1,0,0,1,0|1,0,0]=3 36 B12R1.107 O=C(O)CC(O)C1=CC=CC=C1 CS-W021936 [0,1,0,0,1,0|0,0,0]=2 37 B12R1.125 CC1=C(OCC(=O)O)C=CC=C1 CS-0073823 [0,1,0,0,1,0|1,0,0]=3 38 B12R1.125 CC1=CC=CC=C1CCC(=O)O CS-W005547 [0,1,0,0,1,0|0,0,0]=2 39 B12R1.125 O=C(O)CCC1=CC=CC=C1Br CS-W007510 [0,1,0,0,1,0|0,0,0]=2 40 B12R1.125 O=C(O)CCC1=CC=CC=C1Cl CS-W016978 [0,1,0,0,1,0|0,0,0]=2 41 B12R1.125 O=C(O)CCC1=CC=CC=C1F CS-W007890 [0,1,0,0,1,0|0,0,0]=2 42 B12R1.125 O=C(O)\C=C\C1=CC=CC=C1Br CS-0063883 [0,1,0,0,1,0|0,0,2]=4 43 B12R1.125 O=C(O)\C=C\C1=CC=CC=C1F CS-W014304 [0,1,0,0,1,0|0,0,2]=4 44 B12R1.226 CC1=CC(OCC(=O)O)=CC=C1 CS-W017867 [0,1,0,0,1,0|1,0,0]=3 45 B12R1.226 O=C(O)CCC1=CC(Cl)=CC=C1 CS-W016980 [0,1,0,0,1,0|0,0,0]=2 46 B12R1.226 O=C(O)CCC1=CC=CC(Br)=C1 CS-D0633 [0,1,0,0,1,0|0,0,0]=2 47 B14R1.420 O=C(O)CCCC(=O)C1=CC=CC=C1 CS-W004848 [0,1,0,0,0,1|0,0,0]=2 48 B14R1.6449 N[C@H](COCC1=CC=CC=C1)C(=O)O CS-W010624 [0,1,0,0,0,1|0,0,0]=2 49 B14R1.678 O=C(O)CCC(=O)C1=CC=C(Br)C=C1 CS-D1185 [0,2,0,0,0,0|0,0,1]=3 50 B14R1.425 N[C@@H](CC1=CC=CC=C1)[C@@H](O)C(=O)O CS-0094025 [0,2,0,0,0,0|0,0,0]=2 51 B14R1.743 COC(=O)CC(=O)CC1=CC=CC=C1 CS-W005173 [0,2,0,0,0,0|0,0,1]=3 52 B12R2.2 C1=CC=C(C2CCCN2)C=C1 CS-W008926 [1,0,0,1,0,0|1,0,1]=4 53 B12R2.41 C1=CC=C2NCCCCC2=C1 CS-W005435 [1,0,0,1,0,0|1,0,1]=4 54 B12R2.1081 O=C1CCCC2=C1C=NC=C2 CS-W022438 [1,0,0,1,0,0|1,0,0]=3 55 B12R2.1081 O=C1CCCC2=CC=CC=C12 CS-D0598 [1,0,0,1,0,0|0,0,0]=2 56 B14R2.2 O=C(O)CC1=NNC2=CC=CC=C21 CS-0043717 [0,0,0,1,0,1|1,0,1]=4 57 B14R2.19 O=C1N[C@@H](CC2=CC=CC=C2)CO1 CS-D1593 [0,0,0,1,0,1|1,0,0]=3 58 B14R2.19 [C@H]1(O)CCN(CC2=CC=CC=C2)C1 CS-W017360 [0,0,0,1,0,1|1,0,1]=4 59 B14R2.436 O=C1CC(OCC2=CC=CC=C2)C1 CS-W008851 [0,0,0,1,0,1|1,0,0]=3 60 B14R2.31359 O=C(O)C1CCCC2=CC=CC=C21 CS-W019746 [0,0,0,1,0,1|0,0,0]=2 61 B14R2.68 O=C1CCN(C2=CC=CC=C2)CC1 CS-W005481 [0,1,0,1,0,0|2,0,0]=4 62 B14R2.781 O=C(O)C1CNC2=C(C=CC=C2)C1 CS-0105385 [0,1,0,1,0,0|1,0,0]=3 63 B14R2.781 O=C(O)C1COC2=CC=CC=C2O1 CS-W002348 [0,1,0,1,0,0|1,0,0]=3 64 B14R2.741 O=C1NC2=CC=CC=C2CCC1Br CS-0004294 [0,1,0,1,0,0|1,0,0]=3 65 B10R1.18 N=C(O)NC1=CC=CC=C1 CS-W017760 [0,0,0,0,2,0|2,0,0]=4