0 B13R1.42 C=CNC(=O)OCc1ccccc1 AB17881 [1,0,0,0,0,0|1,0,2]=4 1 B15R1.741 CC(C#C)NC(=O)OCc1ccccc1 AB85627 [0,1,0,0,0,0|1,0,1]=3 2 B15R1.741 C[C@@H](C#C)NC(=O)OCc1ccccc1 AB85632 [0,1,0,0,0,0|1,0,1]=3 3 B15R1.741 C[C@H](C#C)NC(=O)OCc1ccccc1 AB85629 [0,1,0,0,0,0|1,0,1]=3 4 B15R1.3465 CC(C)(C)OC(=O)NCc1ccccn1 AB32204 [0,1,0,0,0,0|3,0,0]=4 5 B15R1.3465 CC(C)(C)OC(=O)NCc1cccnc1 AB25205 [0,1,0,0,0,0|3,0,0]=4 6 B15R2.325 c1ccc(cc1)CN2CC(CC2=O)N MB08337 [0,0,0,1,0,0|2,0,0]=3 7 B15R1.5919 c1ccc(cc1)COC(=O)NCC(=N)N AB51447 [0,0,0,0,0,1|2,0,1]=4 8 B15R1.5919 c1ccc(cc1)COC(=O)NCC(=N)N AB71993 [0,0,0,0,0,1|2,0,1]=4 9 B15R1.5919 c1ccc(cc1)COC(=O)NCC(=O)O AB00257 [0,0,0,0,0,1|2,0,1]=4 10 B12R1.8 c1ccc(cc1)COCCCN AB30616 [2,0,0,0,0,0|1,0,1]=4 11 B12R1.27 c1ccc(cc1)COC(=O)CN CB10135 [2,0,0,0,0,0|1,0,0]=3 12 B14R1.156 C#CCNC(=O)OCc1ccccc1 AB61413 [1,1,0,0,0,0|0,0,2]=4 13 B14R1.156 c1ccc(cc1)COC(=O)NCC#N AB01537 [1,1,0,0,0,0|1,0,1]=4 14 B14R1.156 c1ccc(cc1)COC(=O)NCCI AB55270 [1,1,0,0,0,0|1,0,0]=3 15 B14R1.502 CCOC(=O)CCc1ccc(cc1)N MB04702 [1,1,0,0,0,0|2,0,0]=4 16 B14R1.433 CC(C)(C)OC(=O)Nc1ccccc1 AB01955 [0,1,0,0,1,0|2,0,0]=4 17 B14R1.433 c1ccc(cc1)CC(=O)CC(F)(F)F AB70560 [0,1,0,0,1,0|2,0,0]=4 18 B14R1.549 CN(C)\C=C(/Cc1ccccc1)\C=O CB12063 [0,1,0,0,1,0|1,0,1]=4 19 B16R1.1343 COC(=N)CNC(=O)OCc1ccccc1 AB60908 [0,1,0,0,0,1|1,0,1]=4 20 B16R1.1343 c1ccc(cc1)COC(=O)NCC(=O)CBr AB61535 [0,1,0,0,0,1|1,0,1]=4 21 B16R1.4122 C[C@@H](C(=O)C)NC(=O)OCc1ccccc1 AB61361 [0,1,0,0,0,1|1,0,1]=4 22 B16R1.7422 CC(C)(C)OC(=O)NCc1ccccc1N AB17506 [0,2,0,0,0,0|2,0,0]=4 23 B16R1.1570 CC(CCN)NC(=O)OCc1ccccc1 AB30328 [0,2,0,0,0,0|1,0,0]=3 24 B16R1.1570 C[C@@H](CCN)NC(=O)OCc1ccccc1 AB30345 [0,2,0,0,0,0|1,0,0]=3 25 B16R1.1570 C[C@H](CCN)NC(=O)OCc1ccccc1 AB30348 [0,2,0,0,0,0|1,0,0]=3 26 B16R1.10317 CC(C)(C#N)NC(=O)OCc1ccccc1 PB34539 [0,2,0,0,0,0|1,0,0]=3 27 B16R1.1040 CC(C)(C)OC(=O)NCc1ccc(cc1)Br AB48440 [0,2,0,0,0,0|2,0,0]=4 28 B16R1.11198 CC(C)(C)OC(=O)NCc1cccc(c1)Br MB06549 [0,2,0,0,0,0|2,0,0]=4 29 B16R1.11198 CC(C)(C)OC(=O)NCc1cccc(c1)N AB21434 [0,2,0,0,0,0|2,0,0]=4 30 B14R2.21 c1ccc(cc1)C2CCCC(=O)C2 AB04809 [1,0,0,1,0,0|1,0,0]=3 31 B14R2.21 c1ccc(cc1)C2CNCC(=O)N2 AB37355 [1,0,0,1,0,0|2,0,0]=4 32 B14R2.21 c1ccc(cc1)C2CNCC(=O)O2 AB72680 [1,0,0,1,0,0|1,0,0]=3 33 B14R2.21 c1ccc(cc1)C2COCC(=O)N2 AB72681 [1,0,0,1,0,0|2,0,0]=4 34 B14R2.21 c1ccc(cc1)[C@@H]2CNCC(=O)N2 AB37361 [1,0,0,1,0,0|2,0,0]=4 35 B14R2.21 c1ccc(cc1)[C@H]2CNCC(=O)N2 AB37359 [1,0,0,1,0,0|2,0,0]=4 36 B14R2.30 c1ccc(cc1)CN2CCCC2=O AB00299 [1,0,0,1,0,0|1,0,0]=3 37 B16R2.3322 c1ccc(cc1)COC(=O)C2CC(=O)C2 PB10945 [0,0,0,1,0,1|1,0,1]=4 38 B16R2.3322 c1ccc(cc1)COC(=O)C2CC(=O)N2 MB01372 [0,0,0,1,0,1|1,0,1]=4 39 B16R2.3322 c1ccc(cc1)COC(=O)C2CC(C2)O PB22570 [0,0,0,1,0,1|1,0,0]=3 40 B16R2.3322 c1ccc(cc1)COC(=O)N2CC(=O)C2 PB13124 [0,0,0,1,0,1|1,0,1]=4 41 B16R2.3322 c1ccc(cc1)COC(=O)N2CC(C2)I PB34338 [0,0,0,1,0,1|1,0,0]=3 42 B16R2.3322 c1ccc(cc1)COC(=O)N2CC(C2)N PB30936 [0,0,0,1,0,1|1,0,0]=3 43 B16R2.3322 c1ccc(cc1)COC(=O)N2CC(C2)O PB27970 [0,0,0,1,0,1|1,0,0]=3 44 B16R2.3322 c1ccc(cc1)COC(=O)[C@@H]2CC(=O)N2 CB10429 [0,0,0,1,0,1|1,0,1]=4 45 B16R2.3322 c1ccc(cc1)COC(=O)[C@H]2C[C@@H](C2)O PB38529 [0,0,0,1,0,1|1,0,0]=3 46 B16R2.3322 c1ccc(cc1)COC(=O)[C@H]2C[C@H](C2)O PB11444 [0,0,0,1,0,1|1,0,0]=3 47 B16R2.44147 c1ccc(cc1)COC(=O)C2CC2(F)F AB85439 [0,0,0,1,0,1|2,0,0]=4 48 B16R2.2400 c1ccc(cc1)CN2CC(CC2=O)CN MB01547 [0,1,0,1,0,0|1,0,0]=3 49 B16R2.2400 c1ccc(cc1)CN2CC(CC2=O)CO AB56109 [0,1,0,1,0,0|1,0,0]=3 50 B16R2.44148 c1ccc(cc1)COC(=O)C=C2COC2 PB19731 [0,1,0,1,0,0|0,0,2]=4 51 B16R2.44148 c1ccc(cc1)COC(=O)NC2CNC2 PB14892 [0,1,0,1,0,0|1,0,0]=3 52 B12R1.32 CCOC(=O)Cc1ccccn1 AB00728 [1,0,0,0,1,0|2,0,0]=4 53 B12R1.43 C[C@@H](C(=O)Nc1ccccc1)O AB72181 [0,0,0,0,2,0|2,0,0]=4 54 B16R1.608 CC(CCNC(=O)OCc1ccccc1)N AB30333 [0,0,0,0,0,2|1,0,0]=3 55 B16R1.608 C[C@@H](CCNC(=O)OCc1ccccc1)N AB30356 [0,0,0,0,0,2|1,0,0]=3