0 B12R1.21 CC(=O)\C=C\C1=NC=C(C)C=C1 79382 [1,0,0,0,0,0|1,0,2]=4 1 B12R1.21 O=C(O)CCC1=CN=C(F)C=C1 72627 [1,0,0,0,0,0|3,0,0]=4 2 B12R1.71 COC1=CC=C(CCCCl)C=C1 D75832 [1,0,0,0,0,0|1,0,1]=3 3 B14R1.2 COC1=NC=C([C@@H](N)CC(=O)O)C=C1 Y14790 [0,1,0,0,0,0|2,0,0]=3 4 B14R1.3 C=CC1=CC=C(C[C@H](N)C(=O)O)C=C1 Y14035 [0,1,0,0,0,0|2,0,1]=4 5 B14R1.3 C=CC1=CC=C(C[C@H](N)C(=O)O)C=C1 Y14484 [0,1,0,0,0,0|2,0,1]=4 6 B14R1.3 N[C@@H](CC1=CC=C(CO)C=C1)C(=O)O AT22619 [0,1,0,0,0,0|3,0,0]=4 7 B14R1.3 N[C@@H](CC1=CC=C(CO)C=C1)C(=O)O Y11045 [0,1,0,0,0,0|3,0,0]=4 8 B14R1.3 N[C@@H](CC1=CC=C(CO)C=C1)C(=O)O Y13608 [0,1,0,0,0,0|3,0,0]=4 9 B14R1.3653 COC1=C(F)C=C(CCC(=O)O)C=C1 Y10323 [0,1,0,0,0,0|1,0,0]=2 10 B14R2.27 COC1=CC=C([C@H]2C[C@@H](N)C2)C=C1 91846 [0,0,0,1,0,0|1,0,1]=3 11 B14R2.27 COC1=CC=C([C@H]2C[C@H](N)C2)C=C1 91829 [0,0,0,1,0,0|1,0,1]=3 12 B12R1.4 COC1=CC=C(C[C@H](C)N)C=C1 F13086 [0,0,0,0,1,0|1,0,1]=3 13 B11R1.1 O=C\C=C\C1=CC=C(O)C=C1 O10873 [2,0,0,0,0,0|0,0,2]=4 14 B13R1.132 N[C@@H](CC(=O)O)C1=CC=C(O)C=C1 Y13617 [1,1,0,0,0,0|1,0,0]=3 15 B15R1.211 COC(=O)C[C@H](N)C1=CC=C(SC)C=C1 Y14120 [0,2,0,0,0,0|0,1,0]=3 16 B15R1.3776 COC1=C(Br)C=C([C@@H](N)CC(=O)O)C=C1 Y13620 [0,2,0,0,0,0|1,0,0]=3 17 B15R1.3776 COC1=C(F)C=C([C@@H](N)CC(=O)O)C=C1 Y13643 [0,2,0,0,0,0|1,0,0]=3 18 B15R1.3 C=CC1=CC=C(C[C@H](N)C(=O)OC)C=C1 Y14037 [0,2,0,0,0,0|1,0,1]=4 19 B15R1.3 C=CC1=CC=C(C[C@H](N)C(=O)OC)C=C1 Y14038 [0,2,0,0,0,0|1,0,1]=4 20 B15R1.3 C=CC1=CC=C(C[C@H](N)C(=O)OC)C=C1 Y14542 [0,2,0,0,0,0|1,0,1]=4 21 B15R1.3777 COC1=C(O)C=C(C[C@H](N)C(=O)O)C=C1 Y13614 [0,2,0,0,0,0|1,0,0]=3 22 B15R1.3777 COC1=C(O)C=C(C[C@H](N)C(=O)O)C=C1 Y14115 [0,2,0,0,0,0|1,0,0]=3 23 B13R2.57 COC1=CC2=C(C=C1)SCNC2 83461 [1,0,0,1,0,0|2,0,0]=4 24 B13R2.185 COC1=CC=C(C2CNC2)C=C1 85604 [1,0,0,1,0,0|1,0,0]=3 25 B13R2.669 COC1=CC2=C(C=C1)CC[C@@H]2N Y13698 [1,0,0,1,0,0|1,0,1]=4 26 B13R2.2121 COC1=CC2=C(N=C1)NC(=O)C2 P19240 [0,0,0,1,1,0|2,0,0]=4 27 B15R2.2880 CCC1=CC2=C(C=C1)CCCC(=O)N2 Y14329 [0,0,0,1,0,1|2,0,0]=4 28 B15R2.2880 COC1=CC2=C(C=C1)SCCN(C)C2 C77179 [0,0,0,1,0,1|2,0,0]=4 29 B11R1.3 CC(=O)C1=CC=C(CN)C=C1 C76094 [0,0,0,0,2,0|2,0,0]=4 30 B13R1.643 COC1=NC=CC(CCC(=O)O)=C1 72053 [0,0,0,0,1,1|1,0,0]=3