0 B10R1.66 NC(=S)NCC1=CC=CO1 5733AE [0,0,0,0,0,0|2,1,0]=3 1 B10R1.66 O=[N+]([O-])CCC1=CC=CO1 5385AE [0,0,0,0,0,0|2,0,0]=2 2 B9R1.12 O=C=NCC1=CC=CO1 8553AE [1,0,0,0,0,0|1,0,1]=3 3 B9R1.12 S=COCC1=CC=CO1 M512 [1,0,0,0,0,0|1,1,0]=3 4 B11R1.35 NC(CC1=NC=CS1)C(=O)O V3589 [0,1,0,0,0,0|2,1,0]=4 5 B11R1.35 N[C@@H](CC1=CC=CN1)C(=O)O 0809AC [0,1,0,0,0,0|2,0,0]=3 6 B11R1.35 N[C@@H](CC1=CN=CS1)C(=O)O 6187AA [0,1,0,0,0,0|2,1,0]=4 7 B11R1.35 N[C@@H](CC1=CNC=C1)C(=O)O 6601AB [0,1,0,0,0,0|3,0,0]=4 8 B11R1.35 N[C@@H](CC1=NC=CN1)C(=O)O Q359 [0,1,0,0,0,0|3,0,0]=4 9 B11R1.35 N[C@H](CC1=CN=CS1)C(=O)O 3573AB [0,1,0,0,0,0|2,1,0]=4 10 B11R1.75 CC(=O)OCC1=NC(C)=NO1 6320AD [0,1,0,0,0,0|3,0,0]=4 11 B11R1.77 CC(=O)CC(=O)C1=CC=CS1 3207AB [0,1,0,0,0,0|0,1,1]=3 12 B11R2.36 O=C1CCN2C=CC=C2C1 X7975 [0,0,0,1,0,0|2,0,0]=3 13 B9R1.13 CC(N)CC1=CC=CN1 9883AH [0,0,0,0,1,0|2,0,1]=4 14 B9R1.13 CC(N)CC1=CC=CS1 3185AB [0,0,0,0,1,0|1,1,1]=4 15 B11R1.91 CC(=S)OCC1=CC=CC=C1 S494 [0,0,0,0,0,1|2,1,0]=4 16 B11R1.91 CC(=S)OCC1=CC=NC=C1 Z2907 [0,0,0,0,0,1|2,1,0]=4 17 B11R1.91 C[C@@H](N)CCC1=CC=CC=C1 5944AC [0,0,0,0,0,1|2,0,1]=4 18 B11R1.91 O=C(O)CNC1=CC=NC=C1 7631AE [0,0,0,0,0,1|3,0,0]=4 19 B11R1.91 O=C(O)CNC1=CC=NC=C1 Z3284 [0,0,0,0,0,1|3,0,0]=4 20 B11R1.91 O=C([O-])COC1=CC=CC=C1 I578 [0,0,0,0,0,1|3,0,0]=4 21 B11R1.91 O=[N+]([O-])CCC1=CC=CN=C1 Y5918 [0,0,0,0,0,1|3,0,0]=4 22 B8R1.8 CNCC1=CC=CO1 6487AB [2,0,0,0,0,0|1,0,0]=3 23 B10R1.16 CSSCC1=CC=C(C)O1 U163 [1,1,0,0,0,0|2,0,0]=4 24 B10R1.21 O=CCCCC1=CC=CO1 Y7345 [1,1,0,0,0,0|0,0,0]=2 25 B10R1.23 NC(C(=O)O)C1=CC=CO1 X7306 [0,1,0,0,1,0|1,0,0]=3 26 B10R1.23 NC(C(=O)O)C1=CC=CS1 Y1430 [0,1,0,0,1,0|1,1,0]=4 27 B10R1.23 O=C(O)C(=O)C1=CC=CO1 Y3293 [0,1,0,0,1,0|1,0,1]=4 28 B12R1.27 NCC(=O)OCC1=CC=CC=C1 3139AL [0,1,0,0,0,1|2,0,0]=4 29 B12R1.43 CC(CC1=CC=NC=N1)C(=O)O 1360AH [0,1,0,0,0,1|2,0,0]=4 30 B12R1.43 O=C(O)[C@@H](Cl)CC1=CC=CC=C1 Z6054 [0,1,0,0,0,1|2,0,0]=4 31 B12R1.107 CC(=O)CC(=O)C1=CC=CN=C1 4506AB [0,1,0,0,0,1|1,0,1]=4 32 B12R1.107 CC(=O)NC(C)C1=CC=CC=C1 7150AJ [0,1,0,0,0,1|2,0,0]=4 33 B12R1.107 NC(=O)CC(N)C1=CC=CN=C1 2028AC [0,1,0,0,0,1|2,0,0]=4 34 B12R1.125 CC(=O)OCC1=C(C)C=CC=C1 5689AF [0,1,0,0,0,1|2,0,0]=4 35 B12R1.226 CC(=O)OCC1=CC(Br)=CC=N1 9997AA [0,1,0,0,0,1|2,0,0]=4 36 B12R1.298 CC(C)C(C=N)CC1=CC=CO1 U692 [0,2,0,0,0,0|1,0,1]=4 37 B12R1.144 CN1C=CC=C1C(N)CC(=O)O Y1741 [0,2,0,0,0,0|2,0,0]=4 38 B10R2.7 C1=CC2=C(C1)CCCC2 S943 [1,0,0,1,0,0|1,0,1]=4 39 B10R2.2 O=C1CC2=C(C1)NC=C2 9935AD [0,0,0,1,1,0|1,0,0]=3 40 B12R2.24 O=C1CCC2=CC=CN=C2C1 3036AJ [0,0,0,1,0,1|1,0,0]=3 41 B8R1.7 CC(=O)C1=CC=NN1 9154AA [0,0,0,0,2,0|2,0,0]=4 42 B8R1.7 O=[N+]([O-])C1=CC=CO1 9109AB [0,0,0,0,2,0|2,0,0]=4 43 B10R1.17 CCCCC1=NC=CN=C1 2999AB [1,0,0,0,0,1|1,0,1]=4 44 B12R1.252 O=C(O)CCNC1=NC=CC=C1 1093AA [0,0,0,0,0,2|2,0,0]=4