0 B11R1.77 N[C@@H](CC(=O)O)C1=CC=CO1 Y11316 [0,0,0,0,0,0|2,0,1]=3 1 B11R1.77 N[C@@H](CC(=O)O)C1=CC=CS1 D81679 [0,0,0,0,0,0|2,1,1]=4 2 B11R1.77 N[C@@H](CC(=O)O)C1=CC=CS1 N12535 [0,0,0,0,0,0|2,1,1]=4 3 B10R1.66 O=C(O)CCC1=CC=CN1 35365 [1,0,0,0,0,0|2,0,1]=4 4 B10R1.66 O=C(O)CCC1=CC=CS1 69875 [1,0,0,0,0,0|1,1,1]=4 5 B12R1.15 COC(=O)C[C@H](N)C1=CC=CS1 F20040 [0,1,0,0,0,0|1,1,1]=4 6 B12R1.103 CC(C)NC(=O)C1=CC=C(Br)O1 W15986 [0,1,0,0,0,0|2,0,1]=4 7 B12R1.265 CC(C)(C)NC(=O)C1=CC=CO1 11685 [0,1,0,0,0,0|2,0,1]=4 8 B12R2.246 CC1=NN2C=CC=C2C(=O)N1 P11350 [0,0,0,1,0,0|3,0,0]=4 9 B12R2.246 O=C1CC(=O)N2N=CC=C2N1 A11408 [0,0,0,1,0,0|3,0,0]=4 10 B12R2.246 O=C1NC(=O)C2=CC=CN2N1 65508 [0,0,0,1,0,0|3,0,0]=4 11 B10R1.23 CC(C)C(=O)C1=CC=CO1 N14289 [0,0,0,0,1,0|1,0,1]=3 12 B10R1.23 O=C(O)C(=O)C1=CC=CO1 D77791 [0,0,0,0,1,0|1,0,0]=2 13 B12R1.107 C=C(NC(C)=O)C1=CC=CC=C1 84827 [0,0,0,0,0,1|3,0,0]=4 14 B12R1.107 O=C([O-])CC(=O)C1=CC=CC=C1 O12077 [0,0,0,0,0,1|2,0,0]=3 15 B9R1.11 CCC(=O)C1=CNC=N1 D93407 [2,0,0,0,0,0|2,0,0]=4 16 B9R1.11 CCC(=O)C1=COC=C1 N14291 [2,0,0,0,0,0|2,0,0]=4 17 B9R1.11 CCC(=O)C1=NC=CS1 F53520 [2,0,0,0,0,0|1,1,0]=4 18 B9R1.11 CC[C@H](N)C1=CC=CO1 N16694 [2,0,0,0,0,0|1,0,1]=4 19 B9R1.11 COC(=O)C1=NC=CO1 C74629 [2,0,0,0,0,0|2,0,0]=4 20 B9R1.11 O=C(CBr)C1=CC=CO1 D79351 [2,0,0,0,0,0|1,0,0]=3 21 B9R1.11 O=C(CO)C1=CC=CO1 AC4738 [2,0,0,0,0,0|0,0,1]=3 22 B9R1.11 O=CC(=O)C1=CC=CO1 D94856 [2,0,0,0,0,0|0,0,0]=2 23 B11R1.29 CNCCC(=O)C1=CC=CS1 C76025 [1,1,0,0,0,0|0,1,1]=4 24 B11R1.31 CON(C)C(=O)C1=CC=CO1 W16960 [1,1,0,0,0,0|2,0,0]=4 25 B11R1.199 CCOC(=O)C1=C(Br)C=CO1 F14070 [1,1,0,0,0,0|1,0,1]=4 26 B11R1.199 CCOC(=O)C1=C(N)C=CO1 67501 [1,1,0,0,0,0|1,0,1]=4 27 B11R1.25 COC(=O)CCC1=CC=CN1 RB3088 [1,1,0,0,0,0|1,0,1]=4 28 B11R1.75 CC1=CC=C(CCC(=O)O)O1 W18846 [1,1,0,0,0,0|1,0,1]=4 29 B13R1.11 CNC(=O)CC(=O)C1=CC=CC=C1 32568 [0,1,0,0,0,1|1,0,0]=3 30 B13R1.132 CC(=O)CC(=O)C1=CC=C(Br)C=C1 F11171 [0,1,0,0,0,1|1,0,0]=3 31 B13R1.147 CC(=O)CC(=O)C1=CC(Br)=CN=C1 W18122 [0,1,0,0,0,1|1,0,0]=3 32 B13R1.147 CC(=O)CC(=O)C1=CC(Cl)=NC=C1 W18121 [0,1,0,0,0,1|1,0,0]=3 33 B13R1.201 CC(=O)NC(=O)C1=C(O)C=CC=C1 28028 [0,1,0,0,0,1|2,0,0]=4 34 B13R1.352 CS(=O)(=O)CC(=O)C1=CC=CC=C1 T72377 [0,1,0,0,0,1|2,0,0]=4 35 B13R1.33 CCOC(=O)CC(=O)C1=CC=CN1 C73261 [0,2,0,0,0,0|1,0,0]=3 36 B13R1.33 CCOC(=O)CC(=O)C1=CSC=C1 C13681 [0,2,0,0,0,0|2,0,0]=4 37 B13R1.33 CCOC(=O)CC(=O)C1=NC=CS1 61498 [0,2,0,0,0,0|1,1,0]=4 38 B11R1.156 CC(=O)C1=C(O)C=CC=C1C CL9444 [0,0,1,1,0,0|1,0,1]=4 39 B11R1.159 CC(=O)C1=C(N)C(O)=CC=C1 24067 [0,0,1,1,0,0|1,0,1]=4 40 B11R1.159 CC(=O)C1=C(O)C(O)=CC=C1 O10249 [0,0,1,1,0,0|0,0,2]=4 41 B11R2.106 O=C1CCCC2=C1OC=C2 W11588 [1,0,0,1,0,0|0,0,1]=3 42 B11R2.106 O=C1NC=CC2=C1OC=C2 P10185 [1,0,0,1,0,0|1,0,1]=4 43 B11R2.106 O=C1NC=NC2=C1OC=C2 81211 [1,0,0,1,0,0|2,0,0]=4 44 B13R2.328 O=C1CC2=C(C=CC=C2)C(=O)N1 Y10382 [0,0,0,1,0,1|2,0,0]=4 45 B13R2.5393 C[C@H]1C(=O)NC(=O)C2=CC=CN21 W14928 [0,1,0,1,0,0|2,0,0]=4 46 B9R1.13 CC(=O)CC1=CC=CS1 W16827 [1,0,0,0,1,0|0,1,0]=3 47 B9R1.13 O=C(O)CC1=CC=CN1 29609 [1,0,0,0,1,0|2,0,0]=4 48 B9R1.13 O=C(O)CC1=CC=CO1 W10208 [1,0,0,0,1,0|1,0,0]=3 49 B9R1.13 O=C(O)CC1=CC=NO1 AC1452 [1,0,0,0,1,0|2,0,0]=4 50 B11R1.16 CCCC(=O)C1=CN=CC=C1 N12405 [1,0,0,0,0,1|1,0,1]=4 51 B11R1.16 CCCC(=O)C1=NC=CC=C1 55420 [1,0,0,0,0,1|1,0,1]=4 52 B13R1.45 O=C(O)CNC(=O)C1=CC=CC=C1 D81437 [0,0,0,0,0,2|2,0,0]=4 53 B13R1.342 O=C(O)CCNC(=O)C1=CC=CN1 71707 [0,0,0,0,0,2|2,0,0]=4 54 B13R1.348 CC(=O)CC(=O)CC1=CC=CC=C1 27901 [0,0,0,0,0,2|1,0,0]=3