0 B14R1.3 CCC1=CC=C(C[C@H](N)C(=O)O)C=C1 A50315 [0,0,0,0,0,0|2,0,1]=3 1 B14R1.3 CCC1=CC=C(C[C@H](N)C(=O)O)C=C1 A50365 [0,0,0,0,0,0|2,0,1]=3 2 B14R1.3 COC1=CC=C(CC(=O)C(=O)O)C=C1 A50663 [0,0,0,0,0,0|0,0,0]=0 3 B14R1.3 COC1=CC=C(C[C@H](N)C(=O)O)C=C1 N12112 [0,0,0,0,0,0|1,0,1]=2 4 B14R1.3 COC1=CC=C(O[C@@H](C)C(=O)[O-])C=C1 F20512 [0,0,0,0,0,0|2,0,2]=4 5 B14R1.3 COC1=CC=C(\C=C(/C)C(=O)O)C=C1 W18287 [0,0,0,0,0,0|1,0,1]=2 6 B14R1.3 N#CC1=CC=C(C[C@H](N)C(=O)O)C=C1 A50211 [0,0,0,0,0,0|3,0,1]=4 7 B14R1.3 N#CC1=CC=C(C[C@H](N)C(=O)O)C=C1 H11408 [0,0,0,0,0,0|3,0,1]=4 8 B13R1.3 COC1=CC=C(\C=C/C(=O)O)C=C1 F11299 [1,0,0,0,0,0|0,0,1]=2 9 B13R1.3 COC1=CC=C(\C=C\C(=O)Cl)C=C1 D87771 [1,0,0,0,0,0|1,0,1]=3 10 B13R1.3 CSC1=CC=C(OCC(=O)O)C=C1 AC4457 [1,0,0,0,0,0|1,1,1]=4 11 B13R1.3 N#CC1=CC=C(\C=C\C(=O)O)C=C1 A10223 [1,0,0,0,0,0|2,0,1]=4 12 B13R1.133 NC(=O)[C@@H](N)CC1=CC=C(O)C=C1 D81237 [1,0,0,0,0,0|2,0,1]=4 13 B13R1.133 NC1=CC=C(C[C@H](N)C(=O)O)C=C1 N12064 [1,0,0,0,0,0|2,0,1]=4 14 B13R1.133 NC1=CC=C(C[C@H](N)C(=O)O)C=C1 N12284 [1,0,0,0,0,0|2,0,1]=4 15 B13R1.133 N[C@@H](CC1=CC=C(Br)C=C1)C(=O)O CK2075 [1,0,0,0,0,0|2,0,1]=4 16 B13R1.133 N[C@@H](CC1=CC=C(Cl)C=C1)C(=O)O 74166 [1,0,0,0,0,0|2,0,1]=4 17 B13R1.133 N[C@@H](CC1=CC=C(Cl)C=C1)C(=O)O N12343 [1,0,0,0,0,0|2,0,1]=4 18 B13R1.133 O=C(O)C(=O)CC1=CC=C(Br)C=C1 C91210 [1,0,0,0,0,0|1,0,0]=2 19 B15R1.495 CC(C)C1=CC=C(C[C@H](N)C(=O)O)C=C1 N10918 [0,1,0,0,0,0|2,0,1]=4 20 B15R1.495 CN(C)C1=CC=C(C[C@H](N)C(=O)O)C=C1 A50343 [0,1,0,0,0,0|2,0,1]=4 21 B15R2.4834 COC1=CC2=C(C=C1)C=C(C(=O)O)S2 F18725 [0,0,0,1,0,0|0,1,1]=3 22 B15R2.4834 COC1=CC2=C(C=C1)N=C(C(N)=O)S2 CS1095 [0,0,0,1,0,0|2,1,0]=4 23 B15R2.21336 COC1=CC2=C(C=C1)NC(=O)C(=O)N2 71209 [0,0,0,1,0,0|2,0,0]=3 24 B13R1.36 CCC1=CC=C([C@@H](N)C(=O)O)C=C1 N12432 [0,0,0,0,1,0|2,0,1]=4 25 B13R1.36 COC1=CC=C(C(=O)C(C)C)C=C1 N12423 [0,0,0,0,1,0|2,0,1]=4 26 B12R1.21 CC1=CC=C(NCC(=O)O)C=C1 CL8805 [2,0,0,0,0,0|1,0,1]=4 27 B12R1.21 O=C(O)CNC1=CC=C(O)C=C1 D90832 [2,0,0,0,0,0|1,0,1]=4 28 B12R1.4 COC1=CC=C(CC(=N)N)C=C1 71303 [2,0,0,0,0,0|2,0,0]=4 29 B12R1.4 COC1=CC=C(NC(N)=O)C=C1 D97658 [2,0,0,0,0,0|2,0,0]=4 30 B12R1.4 N#CC1=CC=C(CC(=O)O)C=C1 D72888 [2,0,0,0,0,0|2,0,0]=4 31 B12R1.43 C[C@@H](CC1=CC=CC=C1)C(=O)O A10414 [2,0,0,0,0,0|1,0,1]=4 32 B12R1.43 C\C(=C/C1=CC=CC=C1)C(=O)O 78150 [2,0,0,0,0,0|1,0,1]=4 33 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O N12125 [2,0,0,0,0,0|1,0,1]=4 34 B12R1.43 O=C([O-])C(=O)CC1=CC=CC=C1 29878 [2,0,0,0,0,0|0,0,1]=3 35 B14R1.2 CSC1=CC=C([C@@H](N)CC(=O)O)C=C1 N10809 [1,1,0,0,0,0|0,1,1]=4 36 B14R1.5 COC1=CC=C(CNC(=O)CCl)C=C1 N11731 [1,1,0,0,0,0|2,0,0]=4 37 B14R1.103 COC1=CC(F)=C(\C=C\C(=O)O)C=C1 71405 [1,1,0,0,0,0|0,0,1]=3 38 B14R1.142 CCOC1=CC=C(\C=C\C(=O)O)C=C1 23056 [1,1,0,0,0,0|0,0,1]=3 39 B14R1.419 CC(C)C1=CC=C(CCC(=O)O)C=C1 F52866 [1,1,0,0,0,0|1,0,1]=4 40 B14R1.3653 COC1=C(C)C=C(CCC(=O)O)C=C1 F52914 [1,1,0,0,0,0|0,0,1]=3 41 B14R1.3653 COC1=C(O)C=C(CCC(=O)O)C=C1 A50644 [1,1,0,0,0,0|0,0,1]=3 42 B14R1.24 CCOC1=CC=C(NC(=O)CO)C=C1 L10174 [1,1,0,0,0,0|1,0,1]=4 43 B14R1.3276 COC(=O)CC1=CC(Br)=C(OC)C=C1 AT14684 [1,1,0,0,0,0|2,0,0]=4 44 B14R1.686 CC1=C(C)C=C(C[C@H](N)C(=O)O)C=C1 A50361 [1,1,0,0,0,0|1,0,1]=4 45 B14R1.686 N[C@@H](CC1=CC(I)=C(O)C=C1)C(=O)O C74340 [1,1,0,0,0,0|1,0,1]=4 46 B14R1.6049 CC1=CC(C)=C(C[C@H](N)C(=O)O)C=C1 A50111 [1,1,0,0,0,0|1,0,1]=4 47 B14R1.6049 CC1=CC(C)=C(C[C@H](N)C(=O)O)C=C1 A50115 [1,1,0,0,0,0|1,0,1]=4 48 B14R1.6049 CC1=CC(C)=C(C[C@H](N)C(=O)O)C=C1 A50352 [1,1,0,0,0,0|1,0,1]=4 49 B14R1.213 COC1=CC=C(C(C)(C)C(=O)O)C=C1 S11900 [0,1,0,0,1,0|1,0,1]=4 50 B16R1.1283 CC(=O)OC1=CC=C(C[C@H](N)C(=O)O)C=C1 A11594 [0,2,0,0,0,0|1,0,1]=4 51 B16R1.4113 O=C(O)C(=O)CC1=CC=C(C(F)(F)F)C=C1 C91150 [0,2,0,0,0,0|2,0,0]=4 52 B14R2.3274 CCC1=CC2=C(C=C1)NC(=O)C2=O H11901 [1,0,0,1,0,0|2,0,0]=4 53 B14R2.4529 CC1=CC2=C(C=C1)NC(C(=O)O)=N2 D82194 [1,0,0,1,0,0|2,0,0]=4 54 B16R2.7486 COC1=CC2=C(C=C1)C[C@@H](C(=O)O)CC2 F16240 [0,1,0,1,0,0|1,0,1]=4 55 B12R1.5 COC1=CC=C(C(=O)CN)C=C1 W17814 [1,0,0,0,1,0|1,0,1]=4 56 B12R1.5 COC1=CC=C(N(C)C=O)C=C1 T72571 [1,0,0,0,1,0|2,0,0]=4 57 B14R1.4 COC1=CC=C(SCCC(=O)O)C=C1 90742 [1,0,0,0,0,1|0,0,1]=3 58 B14R1.4 CSC1=CC=C(OCCC(=O)O)C=C1 AC4952 [1,0,0,0,0,1|0,1,1]=4 59 B14R1.679 N[C@@H](CCC1=CC=C(O)C=C1)C(=O)O 78198 [1,0,0,0,0,1|1,0,1]=4 60 B14R1.75 COC1=CC=CC(NC(=O)C(=O)O)=C1 E72417 [0,0,0,0,1,1|1,0,0]=3