0 B17R2.5003 CC1=NC2=C(N1CC(C)C(=O)O)C=CC=C2 Z228590082 [0,0,0,0,0,0|3,0,1]=4 1 B17R2.5003 N[C@@H](CC1C(=O)NC2=C1C=CC=C2)C(=O)O Z4154843098 [0,0,0,0,0,0|0,0,2]=2 2 B16R2.12 CC(CN1C=CC2=C1C=CC=C2)C(=O)O Z431542264 [1,0,0,0,0,0|3,0,0]=4 3 B16R2.12 CC(CN1C=NC2=C1C=CC=C2)C(=O)O Z420848232 [1,0,0,0,0,0|2,0,1]=4 4 B16R2.12 NC(CC1=CNC2=C1C=CC=C2)C(=O)O Z57248626 [1,0,0,0,0,0|0,0,0]=1 5 B16R2.12 NC(CC1=CNC2=C1C=CC=N2)C(=O)O Z1274773112 [1,0,0,0,0,0|1,0,0]=2 6 B16R2.12 NC(CC1=CNC2=C1C=NC=N2)C(=O)O Z2010009926 [1,0,0,0,0,0|2,0,0]=3 7 B16R2.12 NC(CC1=CNC2=C1N=CC=C2)C(=O)O Z2289799514 [1,0,0,0,0,0|1,0,0]=2 8 B16R2.12 NC(CC1=CNC2=C1N=CC=N2)C(=O)O Z1508941507 [1,0,0,0,0,0|2,0,0]=3 9 B16R2.12 NC(CC1=COC2=C1C=CC=C2)C(=O)O Z1416286798 [1,0,0,0,0,0|1,0,0]=2 10 B16R2.12 NC(CC1=CSC2=C1C=CC=C2)C(=O)O Z995104684 [1,0,0,0,0,0|1,0,0]=2 11 B16R2.12 NC(CN1C=CC2=C1N=CC=C2)C(=O)O Z360059800 [1,0,0,0,0,0|3,0,0]=4 12 B16R2.12 NC(CN1C=NC2=C1C=CC=C2)C(=O)O Z2289798387 [1,0,0,0,0,0|1,0,1]=3 13 B16R2.12 NC(CN1CCC2=C1C=CC=C2)C(=O)O Z4327136236 [1,0,0,0,0,0|2,0,1]=4 14 B16R2.12 N[C@@H](CC1=CNC2=C1C=CC=C2)C(=O)O Z756440056 [1,0,0,0,0,0|0,0,0]=1 15 B16R2.12 N[C@H](CC1=CNC2=C1C=CC=C2)C(=O)O Z256709618 [1,0,0,0,0,0|0,0,0]=1 16 B16R2.4003 CC1=C(C2=C(N1)C=CC=C2)CCC(=O)O Z57157164 [1,0,0,0,0,0|1,0,0]=2 17 B16R2.4003 CC1=NC2=C(N1CCC(=O)O)C=CC=C2 Z1718361743 [1,0,0,0,0,0|2,0,1]=4 18 B16R2.4003 O=C(O)CCC1C(=O)NC2=C1C=CC=C2 Z1508917501 [1,0,0,0,0,0|0,0,2]=3 19 B16R2.4003 O=C(O)CCN1C(=O)OC2=C1C=CC=C2 Z57728665 [1,0,0,0,0,0|2,0,1]=4 20 B16R2.4003 O=C(O)CCN1C(=O)SC2=C1C=CC=C2 Z57728689 [1,0,0,0,0,0|2,0,1]=4 21 B18R2.60850 CC1=C(C2=C(N1)C=CC=C2)CC(F)(F)C(=O)O Z2751565912 [0,1,0,0,0,0|2,0,0]=3 22 B18R3.115616 O=C(O)C1CC2=C(CN1)NC3=C2C=CC=C3 Z56762879 [0,0,0,1,0,0|1,0,0]=2 23 B18R3.115616 O=C(O)[C@@H]1CC2=C(CN1)NC3=C2C=CC=C3 Z1508915935 [0,0,0,1,0,0|1,0,0]=2 24 B16R2.4002 CC1=C(C2=C(N1)C=CC=C2)C(=O)C(=O)O Z154210920 [0,0,0,0,1,0|2,0,1]=4 25 B15R1.1081 O=C(O)CCNC(=O)NC1=CC=CC=C1 Z56760697 [1,0,1,0,0,0|1,0,1]=4 26 B15R2.4 NC(CO)CC1=CNC2=C1C=CC=C2 Z1069312128 [2,0,0,0,0,0|0,0,1]=3 27 B15R2.6 CC(=O)CCC1=CNC2=C1C=CC=C2 Z276142282 [2,0,0,0,0,0|1,0,0]=3 28 B15R2.6 NC(=O)CCC1=CNC2=C1C=CC=C2 Z33546345 [2,0,0,0,0,0|1,0,0]=3 29 B15R2.6 O=C(O)CCC1=CCC2=C1C=CC=C2 Z1262514880 [2,0,0,0,0,0|1,0,0]=3 30 B15R2.6 O=C(O)CCC1=CN=C2N1C=CC=C2 Z5336044044 [2,0,0,0,0,0|1,0,1]=4 31 B15R2.6 O=C(O)CCC1=CNC2=C1C=CC=C2 Z104482518 [2,0,0,0,0,0|0,0,0]=2 32 B15R2.6 O=C(O)CCC1=CSC2=C1C=CC=C2 Z995104750 [2,0,0,0,0,0|1,0,0]=3 33 B15R2.6 O=C(O)CCN1C=CC2=C1C=CC=C2 Z57316204 [2,0,0,0,0,0|2,0,0]=4 34 B15R2.1435 CC1=C(C2=C(N1)C=CC=C2)CCC=O Z2750451565 [2,0,0,0,0,0|1,0,0]=3 35 B15R2.993 CC1=C(C2=C(N1)C=CC=C2)CC(=O)N Z339563896 [2,0,0,0,0,0|1,0,1]=4 36 B17R2.7 COC(=O)C(N)CC1=CNC2=C1C=CC=C2 Z56921839 [1,1,0,0,0,0|0,0,0]=2 37 B17R2.7 COC(=O)C(N)CC1=CNC2=C1C=CC=N2 Z4918299399 [1,1,0,0,0,0|1,0,0]=3 38 B17R2.7 COC(=O)C(N)CC1=COC2=C1C=CC=C2 Z2786042022 [1,1,0,0,0,0|1,0,0]=3 39 B17R2.7 COC(=O)[C@H](N)CC1=CNC2=C1C=CC=C2 Z1536943518 [1,1,0,0,0,0|0,0,0]=2 40 B17R2.3450 NC(CC1=CNC2=C1C=CC(=C2)F)C(=O)O Z1332305266 [1,1,0,0,0,0|0,0,0]=2 41 B17R2.25461 NC(CC1=CNC2=C1C=C(C=C2)Br)C(=O)O Z1255605966 [1,1,0,0,0,0|0,0,0]=2 42 B17R2.25461 N[C@@H](CC1=CNC2=C1C=C(C=C2)O)C(=O)O Z2044741046 [1,1,0,0,0,0|0,0,0]=2 43 B17R2.37147 CC1=C2NC=C(C2=CC=C1)CC(N)C(=O)O Z1508920449 [1,1,0,0,0,0|0,0,0]=2 44 B17R2.37147 CC1=C2OC=C(C2=CC=C1)CC(N)C(=O)O Z3717373756 [1,1,0,0,0,0|1,0,0]=3 45 B17R2.37552 NC(CC1=CNC2=C1C(=CC=C2)Br)C(=O)O Z1508591890 [1,1,0,0,0,0|0,0,0]=2 46 B17R2.464799 CN1C(=O)N(C2=C1C=CC=C2)CCC(=O)O Z220639078 [1,1,0,0,0,0|1,0,1]=4 47 B17R2.520754 NC(CC1=C2C=CC=CC2=CC=N1)C(=O)O Z5620690588 [0,0,1,1,0,0|2,0,0]=4 48 B17R2.520754 N[C@@H](CC1=C2C=CC=CC2=CC=C1)C(=O)O Z995228046 [0,0,1,1,0,0|2,0,0]=4 49 B17R3.52847 O=C(O)C1CC12C(=O)NC3=C2C=CC=C3 Z1508969555 [1,0,0,1,0,0|0,0,2]=4 50 B19R3.2455619 O=C(O)C1CC2=C(CN1)NC3=C2C=C(C=C3)O Z3241641023 [0,1,0,1,0,0|1,0,0]=3 51 B15R1.500 NC(CCC(=O)C1=CC=CC=C1)C(=O)O Z1723556613 [0,0,1,0,1,0|0,0,2]=4 52 B15R2.1255 O=C(O)C(=O)C1=CNC2=C1C=CC=C2 Z381360918 [1,0,0,0,1,0|1,0,1]=4 53 B17R2.16 NC(CCC1=CNC2=C1C=CC=C2)C(=O)O Z3681285360 [1,0,0,0,0,1|0,0,0]=2 54 B17R2.9167 NC(CC1=CC2=C(C=CC=C2)N=C1)C(=O)O Z3083125006 [1,0,0,0,0,1|0,0,1]=3 55 B17R2.9167 N[C@@H](CC1=CC2=C(C=CC=C2)C=C1)C(=O)O Z2695741431 [1,0,0,0,0,1|1,0,0]=3 56 B17R2.5006 O=C(O)CCC1=CC2=C(C=CC=C2)NC1=O Z1508914306 [1,0,0,0,0,1|0,0,1]=3 57 B17R2.5006 O=C(O)CCC1=NC2=C(C=CC=C2)NC1=O Z56862720 [1,0,0,0,0,1|0,0,1]=3 58 B17R2.5006 O=C(O)CCC1=NC2=C(C=CC=C2)OC1=O Z57042007 [1,0,0,0,0,1|1,0,1]=4