0 B14R1.756 COC(=O)C(=O)\C=C\C1=CC=CC=C1 S11384 [0,0,0,0,0,0|3,0,1]=4 1 B14R1.756 COC(=O)[C@H](C)OCC1=CC=CC=C1 C12989 [0,0,0,0,0,0|3,0,1]=4 2 B13R1.42 N#CNC(=O)OCC1=CC=CC=C1 70457 [1,0,0,0,0,0|2,0,1]=4 3 B13R1.351 C[C@H](O)C(=O)OCC1=CC=CC=C1 Y14681 [1,0,0,0,0,0|1,0,1]=3 4 B13R1.718 CCC(=O)COCC1=CC=CC=C1 C74376 [1,0,0,0,0,0|1,0,2]=4 5 B13R1.718 COC(=O)COCC1=CC=CC=C1 W10280 [1,0,0,0,0,0|2,0,1]=4 6 B13R1.718 COC(=O)NOCC1=CC=CC=C1 W13562 [1,0,0,0,0,0|3,0,0]=4 7 B13R1.718 COC(=O)\C=C\CC1=CC=CC=C1 67393 [1,0,0,0,0,0|3,0,0]=4 8 B15R1.348 C#CC(C)(C)C(=O)OCC1=CC=CC=C1 80330 [0,1,0,0,0,0|0,0,3]=4 9 B15R1.348 CC(C)(C=O)C(=O)OCC1=CC=CC=C1 AT13748 [0,1,0,0,0,0|1,0,1]=3 10 B15R1.826 CN(CC=O)C(=O)OCC1=CC=CC=C1 AB8172 [0,1,0,0,0,0|2,0,0]=3 11 B15R1.826 O=C(OCC1=CC=CC=C1)[C@@H](Br)CCBr AB1152 [0,1,0,0,0,0|1,0,2]=4 12 B15R1.3678 C[C@@H](O)[C@H](N)C(=O)OCC1=CC=CC=C1 T72913 [0,1,0,0,0,0|1,0,2]=4 13 B15R2.94 CC1OC[C@@H](C2=CC=CC=C2)NC1=O F52707 [0,0,0,1,0,0|2,0,1]=4 14 B15R2.321 O=C1O[C@H](C2=CC=CC=C2)C(Cl)=C1Cl AC6692 [0,0,0,1,0,0|2,0,0]=3 15 B15R2.24490 O=C(OCC1=CC=CC=C1)C2CNC2 AC5281 [0,0,0,1,0,0|1,0,2]=4 16 B13R1.135 C=C(CC1=CC=CC=C1)C(=O)OC 75430 [0,0,0,0,1,0|3,0,0]=4 17 B15R1.741 C#C[C@H](C)NC(=O)OCC1=CC=CC=C1 D86372 [0,0,0,0,0,1|0,0,3]=4 18 B15R1.741 C#C[C@H](C)NC(=O)OCC1=CC=CC=C1 D86374 [0,0,0,0,0,1|0,0,3]=4 19 B15R1.741 COC(=O)CC(=O)NCC1=CC=CC=C1 W12493 [0,0,0,0,0,1|3,0,0]=4 20 B15R1.741 C[C@@H](C#N)NC(=O)OCC1=CC=CC=C1 I11774 [0,0,0,0,0,1|1,0,2]=4 21 B15R1.741 C[C@@H](CN)NC(=O)OCC1=CC=CC=C1 I11642 [0,0,0,0,0,1|1,0,2]=4 22 B15R1.741 C[C@@H](CO)NC(=O)OCC1=CC=CC=C1 AB10098 [0,0,0,0,0,1|1,0,2]=4 23 B12R1.27 C#CC(=O)OCC1=CC=CC=C1 20949 [2,0,0,0,0,0|0,0,2]=4 24 B12R1.27 CCC(=O)NCC1=CC=CC=C1 Y13566 [2,0,0,0,0,0|1,0,1]=4 25 B12R1.27 COC(=O)NCC1=CC=CC=C1 C75727 [2,0,0,0,0,0|2,0,0]=4 26 B14R1.156 CCCCC(=O)OCC1=CC=CC=C1 D81803 [1,1,0,0,0,0|0,0,2]=4 27 B14R1.156 O=C(CCCO)OCC1=CC=CC=C1 W16162 [1,1,0,0,0,0|0,0,2]=4 28 B14R1.3099 CC(C)(N)C(=O)OCC1=CC=CC=C1 F52319 [1,1,0,0,0,0|0,0,1]=3 29 B14R1.3099 CC(C)(O)C(=O)OCC1=CC=CC=C1 31573 [1,1,0,0,0,0|0,0,1]=3 30 B16R1.7289 CC[C@@H](CN)NC(=O)OCC1=CC=CC=C1 I11904 [0,1,0,0,0,1|0,0,2]=4 31 B16R1.1516 CN(CCCO)C(=O)OCC1=CC=CC=C1 AB6220 [0,2,0,0,0,0|1,0,1]=4 32 B14R2.598 O=C1NC(=O)[C@@H](C2=CC=CC=C2)O1 D81737 [1,0,0,1,0,0|2,0,0]=4 33 B14R2.2899 O=C(OCC1=CC=CC=C1)N2CC2 58577 [1,0,0,1,0,0|1,0,1]=4 34 B14R2.8188 CC1=C(O)C2=C(C=CC=C2)NC1=O F19184 [0,0,0,1,1,0|2,0,0]=4 35 B16R2.44148 O=C(C=C1COC1)OCC2=CC=CC=C2 32789 [0,0,0,1,0,1|1,0,1]=4 36 B16R2.2238 O=C(OCC1=CC=CC=C1)N2C=CCC2 F12537 [0,1,0,1,0,0|1,0,0]=3 37 B16R2.2238 O=C(OCC1=CC=CC=C1)N2CCCC2 31941 [0,1,0,1,0,0|1,0,1]=4 38 B16R2.2238 O=C(OCC1=CC=CC=C1)N2CCCN2 72636 [0,1,0,1,0,0|1,0,1]=4 39 B16R2.3322 O=C(OCC1=CC=CC=C1)N2CC(Br)C2 37208 [0,1,0,1,0,0|1,0,1]=4 40 B16R2.3322 O=C1C[C@@H](C(=O)OCC2=CC=CC=C2)N1 66310 [0,1,0,1,0,0|1,0,1]=4 41 B16R2.3322 O=C1C[C@@H](C(=O)OCC2=CC=CC=C2)N1 FD15011 [0,1,0,1,0,0|1,0,1]=4 42 B16R2.3322 O=C1C[C@@H](C(=O)OCC2=CC=CC=C2)N1 P11487 [0,1,0,1,0,0|1,0,1]=4 43 B12R1.32 COCC(=O)OC1=CC=CC=C1 AC8183 [1,0,0,0,1,0|1,0,1]=4 44 B12R1.43 CN(C)C(=O)NC1=CC=CC=C1 F10253 [1,0,0,0,1,0|2,0,0]=4 45 B12R1.43 C[C@H](N)C(=O)CC1=CC=CC=C1 D80885 [1,0,0,0,1,0|1,0,1]=4 46 B12R1.264 C=C(C)C(=O)OCC1=CCC=C1 FD13136 [1,0,0,0,1,0|0,0,1]=3