0 B14R1.29 CCOC(=O)CC(=O)C1=CC=CC=C1 SBB040799 [0,0,0,0,0,0|0,0,0]=0 1 B14R1.29 CCOC(=O)CC(=O)C1=CC=CC=N1 SBB091566 [0,0,0,0,0,0|1,0,0]=1 2 B14R1.29 CCOC(=O)CC(=O)C1=CC=NC=C1 SBB010111 [0,0,0,0,0,0|1,0,0]=1 3 B14R1.29 CCOC(=O)CC(O)C1=CC=CC=C1 SBB068851 [0,0,0,0,0,0|0,0,2]=2 4 B14R1.29 CCOC(=O)\C=C(/C)C1=CC=CC=C1 SBB053785 [0,0,0,0,0,0|1,0,1]=2 5 B13R1.11 CCC(C)NC(=O)C1=CC=CC=C1 SBB058214 [1,0,0,0,0,0|2,0,1]=4 6 B13R1.11 CNC(=O)\C=C(\O)C1=CC=CC=C1 SBB035976 [1,0,0,0,0,0|1,0,2]=4 7 B13R1.11 COC(=O)CC(=O)C1=CC=CN=C1 SBB058960 [1,0,0,0,0,0|1,0,0]=2 8 B13R1.11 COC(=O)CC(=O)C1=NC=CN=C1 SBB303473 [1,0,0,0,0,0|2,0,0]=3 9 B13R1.24 CCCCCC(=O)C1=CC=CC=C1 SBB058875 [1,0,0,0,0,0|1,0,1]=3 10 B13R1.24 CCCCOC(=O)C1=CC=CC=C1 SBB060566 [1,0,0,0,0,0|2,0,1]=4 11 B13R1.42 CCNC(=O)CCC1=CC=CC=C1 SBB080052 [1,0,0,0,0,0|1,0,1]=3 12 B13R1.42 CCOC(=O)C#CC1=CC=CC=C1 SBB008827 [1,0,0,0,0,0|0,0,2]=3 13 B13R1.42 CCOC(=O)CSC1=CC=CC=C1 SBB053696 [1,0,0,0,0,0|1,0,0]=2 14 B13R1.42 CCOC(=O)\C=C\C1=CC=CC=C1 SBB060754 [1,0,0,0,0,0|0,0,1]=2 15 B15R1.23 CCOC(=O)CC(=O)C1=CC=C(F)C=C1 SBB019286 [0,1,0,0,0,0|0,0,0]=1 16 B15R1.23 CCOC(=O)CC(N)C1=CC=C(C)C=C1 SBB012624 [0,1,0,0,0,0|1,0,1]=3 17 B15R1.24 CCOC(=O)CC(N)C1=CC(O)=CC=C1 SBB001756 [0,1,0,0,0,0|1,0,1]=3 18 B15R1.115 O=C(CCCO)CC(=O)C1=CC=CC=C1 SBB056495 [0,1,0,0,0,0|1,0,0]=2 19 B15R1.578 CCOC(=O)C(N)C(O)C1=CC=CC=C1 SBB300215 [0,1,0,0,0,0|0,0,2]=3 20 B15R1.807 CCOC(=O)CS(=O)(=O)C1=CC=CC=C1 SBB055180 [0,1,0,0,0,0|1,0,0]=2 21 B15R1.947 COC(=O)C(=O)CC(=O)C1=CC=CC=C1 SBB038852 [0,1,0,0,0,0|2,0,0]=3 22 B15R1.947 COC(=O)C(=O)CC(=O)C1=CC=CN=C1 SBB024829 [0,1,0,0,0,0|3,0,0]=4 23 B15R1.1257 CCOC(=O)CC(CN)C1=CC=CC=C1 SBB035915 [0,1,0,0,0,0|1,0,1]=3 24 B15R1.3722 CCOC(=O)CC(N)C1=CC=CC=C1Cl SBB001755 [0,1,0,0,0,0|1,0,1]=3 25 B15R2.1342 CCOC(=O)C1CC1C2=CC=CC=C2 SBB019596 [0,0,0,1,0,0|1,0,1]=3 26 B13R1.33 CCOC(=O)CC(=O)C1=CC=CO1 SBB032273 [0,0,0,0,1,0|1,0,0]=2 27 B13R1.47 C=C(C(=O)OCC)C1=CC=CC=C1 SBB053701 [0,0,0,0,1,0|1,0,0]=2 28 B13R1.47 CCOC(=O)C(=O)C1=CC=CC=C1 SBB053693 [0,0,0,0,1,0|0,0,0]=1 29 B13R1.47 CCOC(=O)C(C)C1=CC=CC=C1 SBB054100 [0,0,0,0,1,0|1,0,1]=3 30 B13R1.47 CCOC(=O)C(O)C1=CC=CC=C1 SBB065016 [0,0,0,0,1,0|0,0,2]=3 31 B15R1.89 CCOC(=O)\C=C\C(=O)C1=CC=CC=C1 SBB058470 [0,0,0,0,0,1|0,0,1]=2 32 B15R1.809 CCOC(=O)\C=C(\C)NC1=CC=CC=C1 SBB058313 [0,0,0,0,0,1|1,0,1]=3 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|1,0,1]=4 35 B12R1.27 COC(=O)CCC1=CN=CC=C1 SBB071440 [2,0,0,0,0,0|1,0,1]=4 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|1,0,1]=4 38 B12R1.27 COC(=O)\C=C\C1=CC=CC=C1 SBB058222 [2,0,0,0,0,0|0,0,1]=3 39 B12R1.27 COC(=O)\C=C\C1=CC=NC=C1 SBB079292 [2,0,0,0,0,0|1,0,1]=4 40 B12R1.30 CCCCC(=O)C1=CC=CC=C1 SBB064862 [2,0,0,0,0,0|0,0,1]=3 41 B12R1.30 CCCNC(=O)C1=CC=CC=C1 SBB058554 [2,0,0,0,0,0|1,0,1]=4 42 B12R1.30 CCCOC(=O)C1=CC=CC=C1 SBB061241 [2,0,0,0,0,0|1,0,1]=4 43 B12R1.30 O=C(\C=C\O[Na])C1=CC=CC=C1 SBB017286 [2,0,0,0,0,0|1,0,1]=4 44 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 SBB040798 [2,0,0,0,0,0|0,0,0]=2 45 B12R1.107 CC(=O)\C=C(/N)C1=CC=CC=C1 SBB035905 [2,0,0,0,0,0|1,0,1]=4 46 B12R1.107 C[S+](C)CC(=O)C1=CC=CC=C1 SBB063237 [2,0,0,0,0,0|2,0,0]=4 47 B12R1.107 C\C(=C/C(=O)O)C1=CC=CC=C1 SBB052737 [2,0,0,0,0,0|1,0,1]=4 48 B12R1.107 NC(=O)CC(=O)C1=CC=CC=C1 SBB035909 [2,0,0,0,0,0|1,0,0]=3 49 B12R1.107 NC(=O)NC(=O)C1=CC=CC=C1 SBB057900 [2,0,0,0,0,0|2,0,0]=4 50 B12R1.107 NC(CC(=O)O)C1=CC=CC=C1 SBB001851 [2,0,0,0,0,0|1,0,1]=4 51 B12R1.107 O=C(C[N+](=O)[O-])C1=CC=CC=C1 SBB032958 [2,0,0,0,0,0|1,0,1]=4 52 B12R1.107 O=C(O)CC(Br)C1=CC=CC=C1 SBB008428 [2,0,0,0,0,0|1,0,1]=4 53 B12R1.107 O=C(O)CC(O)C1=CC=CC=C1 SBB063579 [2,0,0,0,0,0|0,0,2]=4 54 B14R1.10 COC(=O)CC(=O)C1=CC=C(F)C=C1 SBB065175 [1,1,0,0,0,0|0,0,0]=2 55 B14R1.10 COC(=O)CC(=O)C1=CN=C(C)C=N1 SBB303514 [1,1,0,0,0,0|2,0,0]=4 56 B14R1.10 COC(=O)CC(N)C1=CC=C(Br)C=C1 SBB053789 [1,1,0,0,0,0|1,0,1]=4 57 B14R1.11 COC(=O)CC(=O)C1=CC(Br)=CN=C1 SBB058959 [1,1,0,0,0,0|1,0,0]=3 58 B14R1.85 COC(=O)C(Br)C(Br)C1=CC=CC=C1 SBB001327 [1,1,0,0,0,0|1,0,1]=4 59 B14R1.415 O=C(CC(=O)C(F)F)C1=CC=CC=C1 SBB020684 [1,1,0,0,0,0|1,0,0]=3 60 B14R1.415 O=C(O)C(=O)CC(=O)C1=CC=CC=C1 SBB014905 [1,1,0,0,0,0|1,0,1]=4 61 B14R1.19 CCCCCC(=O)C1=CC=C(C)C=C1 SBB056545 [1,1,0,0,0,0|1,0,1]=4 62 B14R1.38 CCCCCCC(=O)C1=CC=CC=C1 SBB064863 [1,1,0,0,0,0|1,0,1]=4 63 B14R1.38 CCCCCOC(=O)C1=CC=CC=C1 SBB116861 [1,1,0,0,0,0|1,0,1]=4 64 B14R1.32 CCNC(=O)\C=C\C1=CC(Br)=CC=C1 SBB057810 [1,1,0,0,0,0|1,0,1]=4 65 B14R1.32 CCOC(=O)CNC1=CC(C)=CC=C1 SBB047119 [1,1,0,0,0,0|1,0,0]=3 66 B14R1.32 CCOC(=O)COC1=CC(Cl)=CC=C1 SBB073628 [1,1,0,0,0,0|1,0,0]=3 67 B14R1.60 CCOC(=O)C(=O)NC1=CC=CC=C1 SBB004645 [1,1,0,0,0,0|1,0,1]=4 68 B14R1.502 CCOC(=O)CCC1=CC=C(Br)C=C1 SBB072991 [1,1,0,0,0,0|0,0,1]=3 69 B14R1.502 CCOC(=O)CCC1=CC=C(O)C=C1 SBB091746 [1,1,0,0,0,0|0,0,1]=3 70 B14R1.502 CCOC(=O)COC1=CC=C(I)C=C1 SBB073630 [1,1,0,0,0,0|1,0,0]=3 71 B14R1.598 CCOC(=O)COC1=CC=CC=C1Cl SBB029883 [1,1,0,0,0,0|1,0,0]=3 72 B14R1.818 CC(C)NC(=O)CCC1=CC=CC=C1 SBB080047 [1,1,0,0,0,0|1,0,1]=4 73 B14R1.28 CCOC(=O)CC(=O)C1=NN(C)C=C1 SBB021824 [0,1,0,0,1,0|2,0,0]=4 74 B14R1.510 CCOC(=O)C(C)(C)C1=CC=CC=C1 SBB053782 [0,1,0,0,1,0|1,0,1]=4 75 B14R1.510 CCOC(=O)C(F)(F)C1=CC=CC=C1 SBB092580 [0,1,0,0,1,0|1,0,1]=4 76 B14R1.604 CCOC(=O)C(C#N)C1=CC=CC=C1 SBB054101 [0,1,0,0,1,0|1,0,1]=4 77 B16R1.58 CCOC(=O)CNC(=O)C1=CC=C(Cl)C=C1 SBB099487 [0,1,0,0,0,1|0,0,0]=2 78 B16R1.912 CCOC(=O)C(=O)CC(=O)C1=CC=CC=C1 SBB014967 [0,1,0,0,0,1|0,0,0]=2 79 B16R1.5624 CCOC(=O)CNC(=O)C1=CC=CC=C1Cl SBB099488 [0,1,0,0,0,1|0,0,0]=2 80 B16R1.5624 CCOC(=O)CNC(=O)C1=CC=CC=C1F SBB096814 [0,1,0,0,0,1|0,0,0]=2 81 B16R1.955 CCOC(=O)CC(=O)NC1=CC=C(Cl)C=C1 SBB071776 [0,1,0,0,0,1|0,0,0]=2 82 B16R1.955 CCOC(=O)\C=C(/C)NC1=CC=C(Cl)C=C1 SBB058009 [0,1,0,0,0,1|1,0,1]=4 83 B16R1.955 CCOC(=O)\C=C(\C)NC1=CC=C(F)C=C1 SBB057847 [0,1,0,0,0,1|1,0,1]=4 84 B16R1.953 CCOC(=O)CS(=O)(=O)C1=CC=C(C)C=C1 SBB099588 [0,2,0,0,0,0|1,0,0]=3 85 B16R1.1124 COC(=O)C(=O)CC(=O)C1=CC=C(Br)C=C1 SBB039922 [0,2,0,0,0,0|2,0,0]=4 86 B16R1.1124 COC(=O)C(=O)CC(=O)C1=CC=C(C)C=C1 SBB021369 [0,2,0,0,0,0|2,0,0]=4 87 B16R1.1124 COC(=O)C(=O)CC(=O)C1=CC=C(Cl)C=C1 SBB021801 [0,2,0,0,0,0|2,0,0]=4 88 B16R1.1124 COC(=O)C(=O)CC(=O)C1=CC=C(F)C=C1 SBB021385 [0,2,0,0,0,0|2,0,0]=4 89 B16R1.4218 CCOC(=O)CC(N)C1=CC=C(OC)C=C1 SBB012662 [0,2,0,0,0,0|1,0,1]=4 90 B16R1.1125 COC(=O)C(=O)CC(=O)C1=CC(Br)=CC=C1 SBB032278 [0,2,0,0,0,0|2,0,0]=4 91 B16R1.951 CCOC(=O)C(C#N)C(=O)C1=CC=CC=C1 SBB085155 [0,2,0,0,0,0|0,0,0]=2 92 B16R1.951 CCOC(=O)\C(C#N)=C(/C)C1=CC=CC=C1 SBB068890 [0,2,0,0,0,0|1,0,1]=4 93 B16R1.16904 COC(=O)C(=O)CC(=O)C1=CC=CC=C1F SBB024749 [0,2,0,0,0,0|2,0,0]=4 94 B16R1.16904 COC(=O)C(=O)CC(=O)C1=CC=CC=C1O SBB023854 [0,2,0,0,0,0|2,0,0]=4 95 B14R2.1019 CCC1=NC2=C(C=CC=C2)C(=O)N1 SBB088917 [1,0,0,1,0,0|2,0,0]=4 96 B14R2.7724 CN1C(=O)CC(=O)C2=C1C=CC=C2 SBB039832 [1,0,0,1,0,0|1,0,0]=3 97 B14R2.7724 CN1C(=O)NC(=O)C2=CC=CC=C21 SBB072489 [1,0,0,1,0,0|2,0,0]=4 98 B14R2.7724 CN1C(=O)OC(=O)C2=C1C=CC=C2 SBB000196 [1,0,0,1,0,0|2,0,0]=4 99 B14R2.114 O=C(C1=CC=CC=C1)C2CCCC2 SBB007885 [1,0,0,1,0,0|1,0,1]=4 100 B14R2.510 CC\C=C1/OC(=O)C2=C1C=CC=C2 SBB058029 [1,0,0,1,0,0|2,0,0]=4 101 B14R2.112 CCOC1=CC=C2C=CC=CC2=C1 SBB061201 [1,0,0,1,0,0|1,0,1]=4 102 B14R2.19306 CCN1C(=O)C(=O)C2=CC=CC=C21 SBB006825 [0,0,0,1,1,0|1,0,0]=3 103 B14R2.19306 O=C1C(=O)N(CO)C2=CC=CC=C12 SBB006818 [0,0,0,1,1,0|2,0,0]=4 104 B16R2.3014 O=C(NC1CSCC1=O)C2=CC=CC=C2 SBB013688 [0,0,0,1,0,1|2,0,0]=4 105 B16R2.29786 CCOC(=O)C1OC1(C)C2=CC=CC=C2 SBB069504 [0,0,0,1,0,1|1,0,1]=4 106 B16R2.734 CCOC(=O)CC1=NC2=C(C=CC=C2)N1 SBB013486 [0,0,0,1,0,1|1,0,0]=3 107 B16R2.3806 CCCC1=NN(C2=CC=CC=C2)C(=O)C1 SBB023574 [0,0,0,1,0,1|2,0,0]=4 108 B16R2.29842 CCOC(=O)C1=C(C)NC2=C1C=CC=C2 SBB066683 [0,0,0,1,0,1|1,0,1]=4 109 B16R2.29842 CCOC(=O)C1=C(N)SC2=C1C=CC=C2 SBB019650 [0,0,0,1,0,1|1,0,1]=4 110 B16R2.723 CCOC(=O)C1CC1C2=CC=C(C)C=C2 SBB020311 [0,1,0,1,0,0|1,0,1]=4 111 B16R2.723 CCOC(=O)C1CC1C2=CC=C(Cl)C=C2 SBB020382 [0,1,0,1,0,0|1,0,1]=4 112 B16R2.757 CCOC(=O)C1=C(C)C2=C(C=CC=C2)O1 SBB059498 [0,1,0,1,0,0|1,0,1]=4 113 B16R2.757 CCOC(=O)C1=C(Cl)C2=CC=CC=C2S1 SBB062627 [0,1,0,1,0,0|1,0,1]=4 114 B16R2.757 CCOC(=O)C1=C(N)C2=C(C=CC=C2)S1 SBB023862 [0,1,0,1,0,0|1,0,1]=4 115 B16R2.757 CCOC(=O)C1=C(N)C2=CC=CC=C2O1 SBB048043 [0,1,0,1,0,0|1,0,1]=4 116 B16R2.757 N1C2=C(C=CC=C2)C(N)=C1C(=O)OCC SBB093304 [0,1,0,1,0,0|1,0,1]=4 117 B16R2.5 CCOC(=O)CN1N=NC2=C1C=CC=C2 SBB093478 [0,1,0,1,0,0|2,0,0]=4 118 B12R1.34 CCC(=O)N(C)C1=CC=CC=C1 SBB087708 [1,0,0,0,1,0|2,0,0]=4 119 B12R1.34 COC(=O)C(Br)C1=CC=CC=C1 SBB053707 [1,0,0,0,1,0|1,0,1]=4 120 B12R1.34 COC(=O)C(Cl)C1=CC=CC=C1 SBB007734 [1,0,0,0,1,0|1,0,1]=4 121 B12R1.34 COC(=O)C(N)C1=CC=CC=C1 SBB017485 [1,0,0,0,1,0|1,0,1]=4 122 B12R1.34 COC(=O)C(O)C1=CC=CC=C1 SBB051444 [1,0,0,0,1,0|0,0,2]=4 123 B12R1.34 [C@@H](N)(C(=O)OC)C1=CC=CC=C1 SBB057682 [1,0,0,0,1,0|1,0,1]=4 124 B12R1.32 CCNC(=O)NC1=CC=CC=C1 SBB008390 [1,0,0,0,1,0|2,0,0]=4 125 B12R1.32 CCOC(=O)CC1=CC=CC=N1 SBB058275 [1,0,0,0,1,0|1,0,0]=3 126 B12R1.32 CCOC(=O)CC1=CC=NC=C1 SBB053836 [1,0,0,0,1,0|1,0,0]=3 127 B12R1.32 CCOC(=O)CC1=CN=CC=C1 SBB058276 [1,0,0,0,1,0|1,0,0]=3 128 B12R1.32 CCOC(=O)NC1=NC=CC=C1 SBB017258 [1,0,0,0,1,0|2,0,0]=4 129 B12R1.51 CCOC(=O)\C=C\C1=CC=CO1 SBB001549 [1,0,0,0,1,0|1,0,1]=4 130 B12R1.55 CCOC(=O)C(=O)C1=CC=CS1 SBB059548 [0,0,0,0,2,0|1,0,0]=3 131 B14R1.520 CCOC(=O)CCSC1=CC=CC=N1 SBB116779 [1,0,0,0,0,1|1,0,1]=4 132 B14R1.520 CCOC(=O)CNCC1=CC=CC=C1 SBB003613 [1,0,0,0,0,1|0,0,1]=3 133 B14R1.100 CCOC(=O)CNC(=O)C1=CC=CO1 SBB092136 [0,0,0,0,1,1|1,0,0]=3 134 B14R1.100 CCOC(=O)CNC(=O)C1=CC=CS1 SBB094807 [0,0,0,0,1,1|1,0,0]=3 135 B16R1.934 CCOC(=O)CNC(=O)CC1=CC=CC=C1 SBB096137 [0,0,0,0,0,2|0,0,0]=2 136 B16R1.934 CCOC(=O)NNC(=O)NC1=CC=CC=C1 SBB068891 [0,0,0,0,0,2|1,0,0]=3