0 B14R1.60 CCOC(=O)C(=O)NC1=CC=CC=C1 SBB004645 [0,0,0,0,0,0|1,0,2]=3 1 B13R1.42 CCNC(=O)CCC1=CC=CC=C1 SBB080052 [1,0,0,0,0,0|1,0,0]=2 2 B13R1.42 CCOC(=O)C#CC1=CC=CC=C1 SBB008827 [1,0,0,0,0,0|0,0,2]=3 3 B13R1.42 CCOC(=O)CSC1=CC=CC=C1 SBB053696 [1,0,0,0,0,0|1,0,0]=2 4 B13R1.42 CCOC(=O)\C=C\C1=CC=CC=C1 SBB060754 [1,0,0,0,0,0|0,0,2]=3 5 B13R1.135 COC(=O)[C@@H](N)CC1=CC=CC=C1 SBB028101 [1,0,0,0,0,0|1,0,0]=2 6 B13R1.135 NNC(=O)C(N)CC1=CC=CC=C1 SBB065079 [1,0,0,0,0,0|3,0,0]=4 7 B15R1.48 CCOC(=O)C(=O)NC1=CC=C(Br)C=C1 SBB004653 [0,1,0,0,0,0|1,0,2]=4 8 B15R1.48 CCOC(=O)C(=O)NC1=CC=C(C)C=C1 SBB004647 [0,1,0,0,0,0|1,0,2]=4 9 B15R1.48 CCOC(=O)C(=O)NC1=CC=C(Cl)C=C1 SBB004648 [0,1,0,0,0,0|1,0,2]=4 10 B15R1.48 CCOC(=O)C(=O)NC1=CC=C(F)C=C1 SBB004654 [0,1,0,0,0,0|1,0,2]=4 11 B15R1.48 CCOC(=O)C(C)OC1=CC=C(I)C=C1 SBB029888 [0,1,0,0,0,0|2,0,0]=3 12 B15R1.48 CCOC(=O)C(N)CC1=CC=C(Cl)C=C1 SBB001014 [0,1,0,0,0,0|1,0,0]=2 13 B15R1.48 OC1=CC=C(C[C@H](C(=O)OCC)N)C=C1 SBB057583 [0,1,0,0,0,0|1,0,0]=2 14 B15R1.49 CCOC(=O)C(=O)NC1=CC(C)=CC=C1 SBB072643 [0,1,0,0,0,0|1,0,2]=4 15 B15R1.49 CCOC(=O)C(=O)NC1=CC(Cl)=CC=C1 SBB000683 [0,1,0,0,0,0|1,0,2]=4 16 B15R1.551 C=CCOC(=O)C(N)CC1=CC=CC=C1 SBB061730 [0,1,0,0,0,0|1,0,1]=3 17 B15R1.578 CCOC(=O)C(N)C(O)C1=CC=CC=C1 SBB300215 [0,1,0,0,0,0|1,0,0]=2 18 B15R1.640 CCOC(=O)\C(C#N)=C\C1=CC=CC=C1 SBB058854 [0,1,0,0,0,0|1,0,2]=4 19 B15R1.3960 CCOC(=O)C(=O)NC1=C(C)C=CC=C1 SBB108809 [0,1,0,0,0,0|1,0,2]=4 20 B15R1.3960 CCOC(=O)C(C)OC1=CC=CC=C1Br SBB020296 [0,1,0,0,0,0|2,0,0]=3 21 B15R1.3960 CCOC(=O)C(C)OC1=CC=CC=C1Cl SBB020293 [0,1,0,0,0,0|2,0,0]=3 22 B15R2.1342 CCOC(=O)C1CC1C2=CC=CC=C2 SBB019596 [0,0,0,1,0,0|1,0,0]=2 23 B15R2.1356 CCOC(=O)C1=CC2=C(C=CC=C2)O1 SBB091106 [0,0,0,1,0,0|0,0,2]=3 24 B15R2.1356 CCOC(=O)C1=CC2=C(C=CC=C2)S1 SBB093690 [0,0,0,1,0,0|0,1,2]=4 25 B15R2.1356 CCOC(=O)C1=NC2=CC=CC=C2S1 SBB093878 [0,0,0,1,0,0|1,1,1]=4 26 B15R2.1356 N1C(C(=O)OCC)=CC2=C1C=CC=C2 SBB003670 [0,0,0,1,0,0|1,0,2]=4 27 B13R1.47 C=C(C(=O)OCC)C1=CC=CC=C1 SBB053701 [0,0,0,0,1,0|1,0,1]=3 28 B13R1.47 CCOC(=O)C(=O)C1=CC=CC=C1 SBB053693 [0,0,0,0,1,0|0,0,2]=3 29 B13R1.47 CCOC(=O)C(C)C1=CC=CC=C1 SBB054100 [0,0,0,0,1,0|1,0,0]=2 30 B13R1.47 CCOC(=O)C(O)C1=CC=CC=C1 SBB065016 [0,0,0,0,1,0|0,0,0]=1 31 B15R1.809 CCOC(=O)\C=C(\C)NC1=CC=CC=C1 SBB058313 [0,0,0,0,0,1|2,0,1]=4 32 B15R1.826 CCOC(=O)\C(Cl)=N\NC1=CC=CC=C1 SBB097038 [0,0,0,0,0,1|2,0,1]=4 33 B12R1.27 CCC(=O)NNC1=CC=CC=C1 SBB007827 [2,0,0,0,0,0|2,0,0]=4 34 B12R1.27 CCC(=O)OCC1=CC=CC=C1 SBB061239 [2,0,0,0,0,0|1,0,0]=3 35 B12R1.27 COC(=O)CCC1=CN=CC=C1 SBB071440 [2,0,0,0,0,0|1,0,0]=3 36 B12R1.27 COC(=O)CSC1=CC=CC=C1 SBB089934 [2,0,0,0,0,0|1,0,0]=3 37 B12R1.27 COC(=O)NCC1=CC=CC=C1 SBB080563 [2,0,0,0,0,0|1,0,0]=3 38 B12R1.27 COC(=O)\C=C\C1=CC=CC=C1 SBB058222 [2,0,0,0,0,0|0,0,2]=4 39 B12R1.27 NCC(=O)OCC1=CC=CC=C1 SBB063677 [2,0,0,0,0,0|2,0,0]=4 40 B12R1.27 NNC(=O)CCC1=CC=CC=C1 SBB000151 [2,0,0,0,0,0|2,0,0]=4 41 B12R1.27 O=C(CBr)NCC1=CC=CC=C1 SBB080035 [2,0,0,0,0,0|2,0,0]=4 42 B12R1.27 O=C(CBr)OCC1=CC=CC=C1 SBB006752 [2,0,0,0,0,0|2,0,0]=4 43 B12R1.27 O=C(CCl)NCC1=CC=CC=C1 SBB038576 [2,0,0,0,0,0|2,0,0]=4 44 B12R1.27 O=C(CCl)OCC1=CC=CC=C1 SBB064876 [2,0,0,0,0,0|2,0,0]=4 45 B12R1.27 O=C(CS)OCC1=CC=CC=C1 SBB057444 [2,0,0,0,0,0|2,0,0]=4 46 B12R1.43 CC(=O)C(N)CC1=CC=CC=C1 SBB014560 [2,0,0,0,0,0|1,0,0]=3 47 B12R1.43 CC(OC1=CC=CC=C1)C(=O)O SBB079963 [2,0,0,0,0,0|2,0,0]=4 48 B12R1.43 NC(=O)[C@@H](N)CC1=CC=CC=C1 SBB027287 [2,0,0,0,0,0|2,0,0]=4 49 B12R1.43 NC(CC1=CC=CC=C1)C(=O)O SBB058700 [2,0,0,0,0,0|1,0,0]=3 50 B12R1.43 N[C@@H](CC1=CC=CN=C1)C(=O)O SBB065646 [2,0,0,0,0,0|2,0,0]=4 51 B12R1.43 N[C@H](CC1=CC=CC=N1)C(=O)O SBB065302 [2,0,0,0,0,0|2,0,0]=4 52 B12R1.43 N[C@H](CC1=CC=CN=C1)C(=O)O SBB065223 [2,0,0,0,0,0|2,0,0]=4 53 B12R1.43 O=C(O)C(=O)CC1=CC=CC=C1 SBB012361 [2,0,0,0,0,0|0,0,2]=4 54 B12R1.43 O=C(O)C(O)CC1=CC=CC=C1 SBB012365 [2,0,0,0,0,0|0,0,0]=2 55 B14R1.29 CCOC(=O)CC(=O)C1=CC=CC=C1 SBB040799 [1,1,0,0,0,0|0,0,1]=3 56 B14R1.29 CCOC(=O)CC(=O)C1=CC=CC=N1 SBB091566 [1,1,0,0,0,0|1,0,1]=4 57 B14R1.29 CCOC(=O)CC(=O)C1=CC=NC=C1 SBB010111 [1,1,0,0,0,0|1,0,1]=4 58 B14R1.29 CCOC(=O)CC(O)C1=CC=CC=C1 SBB068851 [1,1,0,0,0,0|0,0,0]=2 59 B14R1.29 CCOC(=O)\C=C(/C)C1=CC=CC=C1 SBB053785 [1,1,0,0,0,0|0,0,2]=4 60 B14R1.32 CCOC(=O)CNC1=CC(C)=CC=C1 SBB047119 [1,1,0,0,0,0|1,0,0]=3 61 B14R1.32 CCOC(=O)COC1=CC(Cl)=CC=C1 SBB073628 [1,1,0,0,0,0|1,0,0]=3 62 B14R1.156 NCCNC(=O)OCC1=CC=CC=C1 SBB003280 [1,1,0,0,0,0|2,0,0]=4 63 B14R1.156 O=C(NCCO)OCC1=CC=CC=C1 SBB057706 [1,1,0,0,0,0|2,0,0]=4 64 B14R1.502 CCOC(=O)CCC1=CC=C(Br)C=C1 SBB072991 [1,1,0,0,0,0|0,0,0]=2 65 B14R1.502 CCOC(=O)CCC1=CC=C(O)C=C1 SBB091746 [1,1,0,0,0,0|0,0,0]=2 66 B14R1.502 CCOC(=O)COC1=CC=C(I)C=C1 SBB073630 [1,1,0,0,0,0|1,0,0]=3 67 B14R1.598 CCOC(=O)COC1=CC=CC=C1Cl SBB029883 [1,1,0,0,0,0|1,0,0]=3 68 B14R1.818 CC(C)NC(=O)CCC1=CC=CC=C1 SBB080047 [1,1,0,0,0,0|1,0,0]=3 69 B14R1.85 COC(=O)C(Br)C(Br)C1=CC=CC=C1 SBB001327 [1,1,0,0,0,0|1,0,0]=3 70 B14R1.134 COC(=O)C(N)CC1=CC=C(Cl)C=C1 SBB003149 [1,1,0,0,0,0|1,0,0]=3 71 B14R1.134 COC(=O)C(N)CC1=CC=C(O)C=C1 SBB003272 [1,1,0,0,0,0|1,0,0]=3 72 B14R1.134 COC(=O)C(N)CC1=CC=C(O)C=C1 SBB010218 [1,1,0,0,0,0|1,0,0]=3 73 B14R1.134 COC(=O)C(N)CC1=CC=C(O)C=C1 SBB010220 [1,1,0,0,0,0|1,0,0]=3 74 B14R1.134 COC(=O)C(N)CC1=CC=C(O)C=C1 SBB010225 [1,1,0,0,0,0|1,0,0]=3 75 B14R1.134 COC(=O)[C@@H](N)CC1=CC=C(O)C=C1 SBB010217 [1,1,0,0,0,0|1,0,0]=3 76 B14R1.134 COC(=O)[C@@H](N)CC1=CC=C(O)C=C1 SBB010219 [1,1,0,0,0,0|1,0,0]=3 77 B14R1.134 [C@@H](C)(OC1=CC=C(O)C=C1)C(=O)OC SBB071428 [1,1,0,0,0,0|2,0,0]=4 78 B14R1.135 COC(=O)C(C)OC1=CC(Cl)=CC=C1 SBB020294 [1,1,0,0,0,0|2,0,0]=4 79 B14R1.510 CCOC(=O)C(C)(C)C1=CC=CC=C1 SBB053782 [0,1,0,0,1,0|1,0,0]=3 80 B14R1.510 CCOC(=O)C(F)(F)C1=CC=CC=C1 SBB092580 [0,1,0,0,1,0|1,0,0]=3 81 B14R1.604 CCOC(=O)C(C#N)C1=CC=CC=C1 SBB054101 [0,1,0,0,1,0|1,0,0]=3 82 B16R1.912 CCOC(=O)C(=O)CC(=O)C1=CC=CC=C1 SBB014967 [0,1,0,0,0,1|0,0,2]=4 83 B16R1.4958 CCOC(=O)C(C)OC1=CC=C(CC)C=C1 SBB029880 [0,2,0,0,0,0|2,0,0]=4 84 B16R1.4970 CCOC(=O)C(C)OC1=CC(C)=C(C)C=C1 SBB029891 [0,2,0,0,0,0|2,0,0]=4 85 B16R1.4970 CCOC(=O)C(C)OC1=CC=C(Cl)C(C)=C1 SBB029882 [0,2,0,0,0,0|2,0,0]=4 86 B16R1.15339 CCOC(=O)C(C)(C)OC1=CC=C(Cl)C=C1 SBB099633 [0,2,0,0,0,0|2,0,0]=4 87 B16R1.4956 CCOC(=O)C(C)OC1=CC(C)=CC(C)=C1 SBB029894 [0,2,0,0,0,0|2,0,0]=4 88 B16R1.951 CCOC(=O)C(C#N)C(=O)C1=CC=CC=C1 SBB085155 [0,2,0,0,0,0|1,0,1]=4 89 B16R1.4559 CCOC(=O)C(=O)C(C#N)C1=CC=CC=C1 SBB056878 [0,2,0,0,0,0|0,0,2]=4 90 B16R1.13848 CCOC(=O)C(C)(C)OC1=CC=CC=C1Cl SBB116157 [0,2,0,0,0,0|2,0,0]=4 91 B14R2.30 O=C1CCCN1CC2=CC=CC=C2 SBB026855 [1,0,0,1,0,0|2,0,0]=4 92 B14R2.598 CC1NC(=O)OC1C2=CC=CC=C2 SBB067625 [1,0,0,1,0,0|2,0,0]=4 93 B14R2.67 CCNCC1CC2=C(C=CC=C2)O1 SBB002496 [1,0,0,1,0,0|1,0,1]=4 94 B16R2.767 CCOC(=O)C1CC2=CC=CC=C2CN1 SBB011113 [0,0,0,1,0,1|1,0,0]=3 95 B16R2.767 CCOC(=O)C1CNC2=C(C=CC=C2)O1 SBB093861 [0,0,0,1,0,1|0,0,0]=2 96 B16R2.767 CCOC(=O)C1COC2=C(C=CC=C2)O1 SBB008613 [0,0,0,1,0,1|0,0,0]=2 97 B16R2.723 CCOC(=O)C1CC1C2=CC=C(C)C=C2 SBB020311 [0,1,0,1,0,0|1,0,0]=3 98 B16R2.723 CCOC(=O)C1CC1C2=CC=C(Cl)C=C2 SBB020382 [0,1,0,1,0,0|1,0,0]=3 99 B16R2.755 CCOC(=O)C1=CC2=CC(N)=CC=C2O1 SBB053980 [0,1,0,1,0,0|0,0,2]=4 100 B16R2.757 CCOC(=O)C1=C(C)C2=C(C=CC=C2)O1 SBB059498 [0,1,0,1,0,0|0,0,2]=4 101 B16R2.757 CCOC(=O)C1=C(N)C2=CC=CC=C2O1 SBB048043 [0,1,0,1,0,0|0,0,2]=4 102 B16R2.29786 CCOC(=O)C1OC1(C)C2=CC=CC=C2 SBB069504 [0,1,0,1,0,0|0,0,0]=2 103 B12R1.51 CCOC(=O)CCN1C=CC=N1 SBB024630 [1,0,0,0,1,0|2,0,0]=4 104 B12R1.51 CCOC(=O)CCN1C=CN=C1 SBB046411 [1,0,0,0,1,0|2,0,0]=4 105 B12R1.30 CCCCC(O)C1=CC=CC=C1 SBB063387 [1,0,0,0,1,0|1,0,1]=4 106 B12R1.34 CCC(=O)N(C)C1=CC=CC=C1 SBB087708 [1,0,0,0,1,0|2,0,0]=4 107 B12R1.34 COC(=O)C(Br)C1=CC=CC=C1 SBB053707 [1,0,0,0,1,0|1,0,0]=3 108 B12R1.34 COC(=O)C(Cl)C1=CC=CC=C1 SBB007734 [1,0,0,0,1,0|1,0,0]=3 109 B12R1.34 COC(=O)C(N)C1=CC=CC=C1 SBB017485 [1,0,0,0,1,0|1,0,0]=3 110 B12R1.34 COC(=O)C(O)C1=CC=CC=C1 SBB051444 [1,0,0,0,1,0|0,0,0]=2 111 B12R1.34 NNC(=O)C(O)C1=CC=CC=C1 SBB007729 [1,0,0,0,1,0|2,0,0]=4 112 B12R1.34 [C@@H](N)(C(=O)OC)C1=CC=CC=C1 SBB057682 [1,0,0,0,1,0|1,0,0]=3 113 B14R1.520 CCOC(=O)CCSC1=CC=CC=N1 SBB116779 [1,0,0,0,0,1|1,0,0]=3 114 B14R1.520 CCOC(=O)CNCC1=CC=CC=C1 SBB003613 [1,0,0,0,0,1|0,0,0]=2 115 B16R1.934 CCOC(=O)CNC(=O)CC1=CC=CC=C1 SBB096137 [0,0,0,0,0,2|0,0,2]=4