0 B10R1.64 CC1=C(C=CO1)SC(=O)C M103574 [0,0,0,0,0,0|0,0,0]=0 1 B9R1.13 C1=CSC=C1CC(=O)O T162811 [1,0,0,0,0,0|2,1,0]=4 2 B11R1.228 CN1C=CC=C1CC(=O)OC M193714 [0,1,0,0,0,0|3,0,0]=4 3 B11R1.645 C1=C(C(=O)OC1=O)CC(=O)O A304216 [0,1,0,0,0,0|3,0,0]=4 4 B9R0.2 CC=CC=CCOC(=O)C I131995 [0,0,1,0,0,0|1,1,1]=4 5 B9R0.23 CC(=O)NC(=C)C(=O)OC M157974 [0,0,1,0,0,0|2,0,1]=4 6 B9R1.41 C1=COC(=C1C(=O)O)Br B168316 [0,0,0,0,1,0|2,0,0]=3 7 B9R1.41 C1=CSC(=C1C(=O)N)N A181429 [0,0,0,0,1,0|2,1,0]=4 8 B9R1.41 CC(=O)C1=C(C=CS1)Br A170327 [0,0,0,0,1,0|3,0,0]=4 9 B9R1.41 CC(=O)C1=CC=CN1C A151233 [0,0,0,0,1,0|2,0,0]=3 10 B9R1.41 CC1=C(C=CN1)C(=O)O M169971 [0,0,0,0,1,0|2,0,0]=3 11 B9R1.41 CC1=C(C=CO1)C(=O)O M420052 [0,0,0,0,1,0|1,0,0]=2 12 B9R1.41 CC1=C(C=NN1)C(=O)O M170200 [0,0,0,0,1,0|3,0,0]=4 13 B9R1.41 CC1=C(C=NO1)C(=O)O M101982 [0,0,0,0,1,0|2,0,0]=3 14 B9R1.41 CC1=C(N=CN1)C(=O)O M190975 [0,0,0,0,1,0|3,0,0]=4 15 B9R1.41 CC1=C(NC=C1)C(=O)O M188022 [0,0,0,0,1,0|3,0,0]=4 16 B9R1.41 CC1=C(OC=C1)C(=O)Cl M168768 [0,0,0,0,1,0|3,0,0]=4 17 B9R1.41 CC1=C(OC=C1)C(=O)O M158537 [0,0,0,0,1,0|3,0,0]=4 18 B9R1.41 CC1=C(OC=N1)C(=O)O M134377 [0,0,0,0,1,0|3,0,0]=4 19 B9R1.41 CC1=C(SC=C1)C(=O)C A167103 [0,0,0,0,1,0|2,0,0]=3 20 B9R1.41 CC1=C(SC=C1)C(=O)Cl M135032 [0,0,0,0,1,0|3,0,0]=4 21 B9R1.41 CC1=C(SC=C1)C(=O)O M157938 [0,0,0,0,1,0|3,0,0]=4 22 B9R1.41 CC1=C(SC=N1)C(=O)C M170041 [0,0,0,0,1,0|2,0,0]=3 23 B9R1.41 CC1=C(SC=N1)C(=O)O M132712 [0,0,0,0,1,0|3,0,0]=4 24 B9R1.41 CC1=NOC=C1C(=O)O M123592 [0,0,0,0,1,0|3,0,0]=4 25 B9R1.41 CN1C(=CC=N1)C(=O)O M158359 [0,0,0,0,1,0|3,0,0]=4 26 B9R1.41 CN1C=CC=C1C(=O)O M123147 [0,0,0,0,1,0|3,0,0]=4 27 B11R1.86 CC(=O)CC1=CC=CC=C1Br B132331 [0,0,0,0,0,1|3,0,0]=4 28 B11R1.86 CC(=O)CC1=CC=CC=C1F W135424 [0,0,0,0,0,1|3,0,0]=4 29 B11R1.86 CC(=O)NC1=C(C=CC=N1)O N169499 [0,0,0,0,0,1|3,0,0]=4 30 B11R1.86 CC(=O)NC1=CC=CC=C1Br B152714 [0,0,0,0,0,1|3,0,0]=4 31 B11R1.86 CC(=O)NC1=CC=CC=C1Cl C153728 [0,0,0,0,0,1|3,0,0]=4 32 B11R1.86 CC(=O)NC1=CC=CC=C1F F156682 [0,0,0,0,0,1|3,0,0]=4 33 B11R1.86 CC(=O)NC1=CC=CC=C1I I464440 [0,0,0,0,0,1|3,0,0]=4 34 B11R1.86 CC(=O)NC1=CC=CC=C1N A135471 [0,0,0,0,0,1|3,0,0]=4 35 B11R1.86 CC(=O)NC1=CC=CC=C1O A107221 [0,0,0,0,0,1|3,0,0]=4 36 B11R1.86 CC(=O)OC1=CC=CC=C1Cl C153423 [0,0,0,0,0,1|2,1,0]=4 37 B11R1.86 CC(=O)OC1=CC=CC=C1I I169597 [0,0,0,0,0,1|2,1,0]=4 38 B11R1.86 CC1=C(N=CC=C1)NC(=O)C A186388 [0,0,0,0,0,1|2,0,0]=3 39 B11R1.86 CC1=CC=CC=C1CC(=O)O T110067 [0,0,0,0,0,1|3,0,0]=4 40 B11R1.86 CC1=CC=CC=C1NC(=O)C O160015 [0,0,0,0,0,1|2,0,0]=3 41 B11R1.86 CC1=CC=CC=C1NC(=O)N O159960 [0,0,0,0,0,1|3,0,0]=4 42 B11R1.157 CC(=O)CC1=CC(=CC=C1)Cl C154068 [0,0,0,0,0,1|3,0,0]=4 43 B11R1.157 CC(=O)CC1=CC(=CC=C1)F F191541 [0,0,0,0,0,1|3,0,0]=4 44 B11R1.157 CC(=O)NC1=CC(=CC=C1)Cl C153718 [0,0,0,0,0,1|3,0,0]=4 45 B11R1.157 CC(=O)NC1=CC(=CC=C1)F F133396 [0,0,0,0,0,1|3,0,0]=4 46 B11R1.157 CC(=O)NC1=CC(=CC=C1)O H157231 [0,0,0,0,0,1|3,0,0]=4 47 B11R1.157 CC(=O)NC1=CC=CC(=C1)N A151227 [0,0,0,0,0,1|3,0,0]=4 48 B11R1.157 CC(=O)NC1=CC=CC(=N1)N A151791 [0,0,0,0,0,1|3,0,0]=4 49 B11R1.157 CC(=O)NC1=CC=NC(=O)N1 N103229 [0,0,0,0,0,1|3,0,0]=4 50 B11R1.157 CC(=O)OC1=CC(=CC=C1)Br B303510 [0,0,0,0,0,1|2,1,0]=4 51 B11R1.157 CC(=O)OC1=CC(=CC=C1)F F156589 [0,0,0,0,0,1|2,1,0]=4 52 B11R1.157 CC(=O)OC1=CC=CC(=C1)O R160926 [0,0,0,0,0,1|2,1,0]=4 53 B11R1.157 CC1=CC(=CC=C1)CC(=O)O M158763 [0,0,0,0,0,1|3,0,0]=4 54 B11R1.157 CC1=CC(=CC=C1)NC(=O)C M158141 [0,0,0,0,0,1|2,0,0]=3 55 B11R1.157 CC1=CC(=CC=C1)NC(=O)N M353832 [0,0,0,0,0,1|3,0,0]=4 56 B11R1.157 CC1=CC(=CC=C1)OC(=O)C M158126 [0,0,0,0,0,1|1,1,0]=3 57 B11R1.157 CC1=CC(=NC=C1)NC(=O)C M124103 [0,0,0,0,0,1|3,0,0]=4 58 B11R1.157 CC1=NC(=CC=C1)NC(=O)C N138955 [0,0,0,0,0,1|2,0,0]=3 59 B8R0.23 CC(=O)NC(=C)C(=O)O A113943 [1,0,1,0,0,0|2,0,0]=4 60 B8R1.11 C1=CSC(=C1C=O)Br B191744 [2,0,0,0,0,0|1,1,0]=4 61 B8R1.11 CC1=C(C=CO1)SC M102940 [2,0,0,0,0,0|0,0,0]=2 62 B8R1.11 CC1=C(C=NN1)C=O M137435 [2,0,0,0,0,0|2,0,0]=4 63 B8R1.11 CC1=C(N=CN1)C=O W136827 [2,0,0,0,0,0|2,0,0]=4 64 B8R1.11 CC1=C(SC=C1)C=O M157936 [2,0,0,0,0,0|2,0,0]=4 65 B8R1.11 CC1=C(SC=N1)C=O M137054 [2,0,0,0,0,0|2,0,0]=4 66 B8R1.11 CN1C(=CC=N1)C=O M138592 [2,0,0,0,0,0|2,0,0]=4 67 B8R1.11 CN1C=CC=C1C=O M158153 [2,0,0,0,0,0|2,0,0]=4 68 B10R1.27 COC(=O)CC1=CSC=C1 M491672 [1,1,0,0,0,0|1,1,0]=4 69 B10R1.149 CC1=C(C=CO1)C(=O)OC M171172 [1,1,0,0,0,0|2,0,0]=4 70 B10R1.39 CCN1C=CC=C1C(=O)C N136597 [0,1,0,0,1,0|2,0,0]=4 71 B10R1.59 CC(=O)C1=C(SC(=C1)Cl)Cl A123510 [0,1,0,0,1,0|1,1,0]=4 72 B10R1.59 CC1=C(SC(=N1)Br)C(=O)C B573567 [0,1,0,0,1,0|2,0,0]=4 73 B10R1.59 CC1=C(SC(=N1)C)C(=O)C A151209 [0,1,0,0,1,0|2,0,0]=4 74 B10R1.59 CC1=C(SC(=N1)N)C(=O)C A101253 [0,1,0,0,1,0|2,0,0]=4 75 B10R1.59 CC1=CC(=C(O1)C)C(=O)C A151396 [0,1,0,0,1,0|0,0,0]=2 76 B10R1.59 CC1=CC(=C(O1)C)C(=O)O D154957 [0,1,0,0,1,0|1,0,0]=3 77 B10R1.59 CC1=CC(=C(S1)C)C(=O)C A113373 [0,1,0,0,1,0|0,1,0]=3 78 B10R1.192 CC1=C(C(=NO1)C)C(=O)Cl D123087 [0,1,0,0,1,0|2,0,0]=4 79 B10R1.192 CC1=C(C(=NO1)C)C(=O)O D123072 [0,1,0,0,1,0|2,0,0]=4 80 B10R1.192 CC1=CNC(=C1C(=O)C)C A151235 [0,1,0,0,1,0|1,0,0]=3 81 B10R1.192 CC1=CNC(=C1C(=O)O)C D182042 [0,1,0,0,1,0|2,0,0]=4 82 B10R1.194 CC1=C(C=CN1C)C(=O)O D195681 [0,1,0,0,1,0|2,0,0]=4 83 B12R1.75 CC(=O)NC1=CC=CC=C1OC O159959 [0,1,0,0,0,1|2,0,0]=4 84 B12R1.75 CC(=O)NC1=CC=CC=C1SC N412244 [0,1,0,0,0,1|2,0,0]=4 85 B12R1.75 CC(=O)OC1=CC=CC=C1OC M158132 [0,1,0,0,0,1|1,1,0]=4 86 B12R1.127 CC1=C(C=C(C=C1)Br)NC(=O)C A179775 [0,1,0,0,0,1|2,0,0]=4 87 B12R1.127 CC1=C(C=C(C=C1)N)NC(=O)C A151426 [0,1,0,0,0,1|2,0,0]=4 88 B12R1.233 CC1=C(C=CC(=C1)Br)NC(=O)C B152336 [0,1,0,0,0,1|2,0,0]=4 89 B12R1.233 CC1=C(C=CC(=C1)F)NC(=O)C A183713 [0,1,0,0,0,1|2,0,0]=4 90 B12R1.233 CC1=CC(=CN=C1NC(=O)C)Br A167254 [0,1,0,0,0,1|2,0,0]=4 91 B12R1.371 CC1=CC=CC=C1CC(=O)OC M338418 [0,1,0,0,0,1|2,0,0]=4 92 B12R1.1009 CC1=C(C(=CC=C1)C)NC(=O)C D168675 [0,1,0,0,0,1|2,0,0]=4 93 B12R1.19 CC1=C(C=C(C=C1)NC(=O)C)C D154873 [0,1,0,0,0,1|2,0,0]=4 94 B12R1.19 CC1=C(C=CC(=C1)NC(=O)C)Br B152342 [0,1,0,0,0,1|2,0,0]=4 95 B12R1.19 CC1=C(C=CC(=N1)NC(=O)C)Br A167256 [0,1,0,0,0,1|2,0,0]=4 96 B12R1.50 CC1=CC(=CC=C1)CC(=O)OC M573276 [0,1,0,0,0,1|2,0,0]=4 97 B12R1.50 CC1=CC(=CC=C1)OC(=O)NC T114834 [0,1,0,0,0,1|1,1,0]=4 98 B12R1.438 CC(=O)CC1=CC(=CC=C1)OC M138635 [0,1,0,0,0,1|2,0,0]=4 99 B12R1.854 CC1C(=O)C(=C(O1)C)OC(=O)C A102528 [0,2,0,0,0,0|0,1,1]=4 100 B10R1.18 CC(=O)SC1=CC=CC=C1 P101831 [0,0,1,1,0,0|1,0,1]=4 101 B10R1.61 CC1=CC=CC=C1C(=O)C M106449 [0,0,1,1,0,0|2,0,0]=4 102 B12R2.24 C1CC(=O)NC2=CC=CC=C21 D336131 [0,0,0,1,0,1|2,0,0]=4 103 B12R2.24 C1CC(=O)OC2=CC=CC=C21 D107582 [0,0,0,1,0,1|1,1,0]=4 104 B12R2.24 C1CC(=O)OC2=CC=CC=C21 D420880 [0,0,0,1,0,1|1,1,0]=4 105 B12R2.24 C1CC2=CC=CC=C2CC1=O T107488 [0,0,0,1,0,1|2,0,0]=4 106 B12R2.606 CC1=CC2=C(C=C1)N=C(S2)C D155414 [0,0,0,1,0,1|2,0,0]=4 107 B8R1.7 C1=C(C=NO1)C(=O)O I341530 [1,0,0,0,1,0|2,0,0]=4 108 B8R1.7 C1=CNC=C1C(=O)O P139452 [1,0,0,0,1,0|2,0,0]=4 109 B8R1.7 C1=COC=C1C(=O)Cl F169128 [1,0,0,0,1,0|1,0,0]=3 110 B8R1.7 C1=COC=C1C(=O)O F156653 [1,0,0,0,1,0|1,0,0]=3 111 B8R1.7 C1=CON=C1C(=O)O I133309 [1,0,0,0,1,0|2,0,0]=4 112 B8R1.7 C1=CSC=C1C(=O)Cl T170244 [1,0,0,0,1,0|1,1,0]=4 113 B8R1.7 C1=CSC=C1C(=O)O T124563 [1,0,0,0,1,0|1,1,0]=4 114 B8R1.7 CC(=C1C=CC=C1)C D168651 [1,0,0,0,1,0|2,0,0]=4 115 B8R1.7 CC(=O)C1=CC=CN1 A113378 [1,0,0,0,1,0|2,0,0]=4 116 B8R1.7 CC(=O)C1=CC=CO1 F106238 [1,0,0,0,1,0|2,0,0]=4 117 B8R1.7 CC(=O)C1=CC=CS1 A109378 [1,0,0,0,1,0|2,0,0]=4 118 B8R1.7 CC(=O)C1=CC=NN1 H588033 [1,0,0,0,1,0|2,0,0]=4 119 B8R1.7 CC(=O)C1=CN=CN1 A194232 [1,0,0,0,1,0|2,0,0]=4 120 B8R1.7 CC(=O)C1=CNC=C1 A179139 [1,0,0,0,1,0|1,0,0]=3 121 B8R1.7 CC(=O)C1=CNN=C1 H175889 [1,0,0,0,1,0|2,0,0]=4 122 B8R1.7 CC(=O)C1=CSC=C1 A111250 [1,0,0,0,1,0|0,1,0]=3 123 B8R1.7 CC(=O)N1C=CN=C1 A100252 [1,0,0,0,1,0|2,0,0]=4 124 B10R1.4 CC1=CC=CC=C1NC=O M158338 [1,0,0,0,0,1|2,0,0]=4