0 B9R1.6 CC(=O)C1=CC=NC=C1 AM20050673 [0,0,0,0,0,0|3,0,1]=4 1 B9R1.6 CC(=O)C1=CN=CC=C1 AM20051106 [0,0,0,0,0,0|2,0,2]=4 2 B9R1.6 CC(=O)C1=CN=CN=C1 AM678 [0,0,0,0,0,0|3,0,1]=4 3 B9R1.6 CC(=O)C1=CN=NC=C1 AMY33793 [0,0,0,0,0,0|3,0,1]=4 4 B9R1.6 CC(=O)C1=NC=CC=C1 AM20061676 [0,0,0,0,0,0|1,0,3]=4 5 B9R1.6 CC(=O)C1=NC=CN=C1 AM20070441 [0,0,0,0,0,0|1,0,3]=4 6 B9R1.6 CC(=O)C1=NN=CC=C1 AM20080074 [0,0,0,0,0,0|2,0,2]=4 7 B9R1.6 CC(=O)C1CCCCC1 AM20070516 [0,0,0,0,0,0|2,0,2]=4 8 B9R1.6 CC(=O)[C@@H]1CCCCN1 AM20120390 [0,0,0,0,0,0|1,0,2]=3 9 B9R1.6 CC(=O)[C@H]1CCCNC1 AM20100792 [0,0,0,0,0,0|2,0,2]=4 10 B9R1.6 NC(=O)[C@@H]1CCCCN1 AMY5796 [0,0,0,0,0,0|2,0,2]=4 11 B9R1.6 NC(=O)[C@@H]1CNCCN1 AM81380 [0,0,0,0,0,0|2,0,2]=4 12 B9R1.6 O=C(O)C1=CCCCC1 AMY12562 [0,0,0,0,0,0|3,0,0]=3 13 B9R1.6 O=C(O)C1=CCCCO1 AMY25035 [0,0,0,0,0,0|3,0,0]=3 14 B9R1.6 O=C(O)C1=CCCNC1 AMY32578 [0,0,0,0,0,0|3,0,1]=4 15 B9R1.6 O=C(O)C1=CCNCC1 AMY32016 [0,0,0,0,0,0|4,0,0]=4 16 B9R1.6 O=C(O)[C@@H]1CCCCN1 AM20090026 [0,0,0,0,0,0|2,0,2]=4 17 B9R1.6 O=C(O)[C@@H]1CCCCN1 AM20100254 [0,0,0,0,0,0|2,0,2]=4 18 B9R1.6 O=C(O)[C@@H]1CCCCN1 AM803674 [0,0,0,0,0,0|2,0,2]=4 19 B9R1.6 O=C(O)[C@@H]1CCCCN1 AM90343 [0,0,0,0,0,0|2,0,2]=4 20 B9R1.6 O=C(O)[C@@H]1CNCCN1 AM20080202 [0,0,0,0,0,0|2,0,2]=4 21 B9R1.6 O=C(O)[C@@H]1CNCCN1 AM20080424 [0,0,0,0,0,0|2,0,2]=4 22 B9R1.6 O=C(O)[C@@H]1CNCCN1 AM20090413 [0,0,0,0,0,0|2,0,2]=4 23 B9R1.6 O=C(O)[C@@H]1CNCCN1 AM81366 [0,0,0,0,0,0|2,0,2]=4 24 B9R1.6 O=C(O)[C@@H]1CNCCN1 AM81427 [0,0,0,0,0,0|2,0,2]=4 25 B9R1.6 O=C(O)[C@@H]1COCCN1 AM20100777 [0,0,0,0,0,0|1,1,2]=4 26 B9R1.6 O=C(O)[C@@H]1COCCN1 AMY4263 [0,0,0,0,0,0|1,1,2]=4 27 B9R1.6 O=C(O)[C@@H]1CSCCN1 AMY17808 [0,0,0,0,0,0|1,0,2]=3 28 B9R1.6 O=C(O)[C@H]1CCCSC1 AMY34285 [0,0,0,0,0,0|2,0,2]=4 29 B9R1.6 O=C(O)[C@H]1COCCN1 AMY20002 [0,0,0,0,0,0|1,1,2]=4 30 B9R1.6 O=C(O)[C@H]1COCCN1 AMY21784 [0,0,0,0,0,0|1,1,2]=4 31 B8R1.2 CSC1=NCCCN1 AMY7072 [1,0,0,0,0,0|3,0,0]=4 32 B8R1.2 O=CC1=CCCCC1 AMY18835 [1,0,0,0,0,0|2,0,0]=3 33 B8R1.2 O=CC1=CCCOC1 AM803164 [1,0,0,0,0,0|1,1,1]=4 34 B8R1.2 O=C[C@@H]1CCCCN1 AM100250 [1,0,0,0,0,0|1,0,2]=4 35 B8R1.2 O=C[C@@H]1CCCCN1 AM90777 [1,0,0,0,0,0|1,0,2]=4 36 B8R1.2 O=C[C@@H]1CNCCN1 AM81379 [1,0,0,0,0,0|1,0,2]=4 37 B10R1.15 COC(=O)C1=CCCCC1 AMY17812 [0,1,0,0,0,0|2,0,0]=3 38 B10R1.15 COC(=O)C1=CCCCO1 AMY25041 [0,1,0,0,0,0|2,0,0]=3 39 B10R1.15 COC(=O)C1=CCCNC1 AMY32022 [0,1,0,0,0,0|2,0,1]=4 40 B10R1.15 COC(=O)C1=CCOCC1 AM20080005 [0,1,0,0,0,0|3,0,0]=4 41 B10R1.15 COC(=O)[C@@H]1CCCCN1 AM20090087 [0,1,0,0,0,0|1,0,2]=4 42 B10R1.15 COC(=O)[C@@H]1CCCCN1 AM20090088 [0,1,0,0,0,0|1,0,2]=4 43 B10R1.15 COC(=O)[C@@H]1CCCCN1 AM20090475 [0,1,0,0,0,0|1,0,2]=4 44 B10R1.15 COC(=O)[C@@H]1CCCCN1 AM20100112 [0,1,0,0,0,0|1,0,2]=4 45 B10R1.15 COC(=O)[C@@H]1COCCN1 AM20080199 [0,1,0,0,0,0|0,1,2]=4 46 B10R1.15 COC(=O)[C@H]1CNCCN1 AMY35292 [0,1,0,0,0,0|1,0,2]=4 47 B10R1.61 CC(=O)[C@@H]1CCCCC1=O AM9964 [0,1,0,0,0,0|2,0,1]=4 48 B8R0.8 C=C(C)C(=O)NCCO AMY25704 [0,0,1,0,0,0|2,1,0]=4 49 B8R1.7 C=C(C)C1=NCCO1 AMY10787 [0,0,0,0,1,0|1,1,1]=4 50 B8R1.7 CC(=O)C1=CC=CN1 AM90575 [0,0,0,0,1,0|0,0,2]=3 51 B8R1.7 CC(=O)C1=CC=CO1 AM91073 [0,0,0,0,1,0|1,0,2]=4 52 B8R1.7 CC(=O)C1=CC=CS1 AM82005 [0,0,0,0,1,0|1,0,2]=4 53 B8R1.7 CC(=O)C1=CCC=C1 AMY2881 [0,0,0,0,1,0|1,0,1]=3 54 B8R1.7 CC(=O)C1=CN=CS1 AM20120324 [0,0,0,0,1,0|2,0,1]=4 55 B8R1.7 CC(=O)C1=CNC=C1 AM20080688 [0,0,0,0,1,0|1,0,2]=4 56 B8R1.7 CC(=O)C1=CNC=N1 AM20100516 [0,0,0,0,1,0|1,0,2]=4 57 B8R1.7 CC(=O)C1=CNN=C1 AMY34508 [0,0,0,0,1,0|2,0,1]=4 58 B8R1.7 CC(=O)C1=CSC=C1 AM84424 [0,0,0,0,1,0|0,0,2]=3 59 B8R1.7 CC(=O)C1=CSC=N1 AM20100015 [0,0,0,0,1,0|0,0,2]=3 60 B8R1.7 CC(=O)C1=NC=CN1 AM806885 [0,0,0,0,1,0|1,0,2]=4 61 B8R1.7 CC(=O)C1=NC=CS1 AM20090269 [0,0,0,0,1,0|0,0,3]=4 62 B8R1.7 CC(=O)C1=NCCC1 AMY42086 [0,0,0,0,1,0|0,0,2]=3 63 B8R1.7 CC(=O)C1=NCCS1 AMY14187 [0,0,0,0,1,0|0,0,1]=2 64 B8R1.7 CC(=O)C1=NNC=C1 AM803485 [0,0,0,0,1,0|1,0,2]=4 65 B8R1.7 CC(=O)C1CCCC1 AMY7477 [0,0,0,0,1,0|1,0,2]=4 66 B8R1.7 CC(=O)[C@H]1CCOC1 AMY6005 [0,0,0,0,1,0|0,1,2]=4 67 B8R1.7 NC(=O)C1=CC=CN1 AMY29101 [0,0,0,0,1,0|1,0,2]=4 68 B8R1.7 NC(=O)C1=CSC=N1 AM803773 [0,0,0,0,1,0|1,0,2]=4 69 B8R1.7 NC(=O)[C@@H]1CCCN1 AM20080102 [0,0,0,0,1,0|1,0,2]=4 70 B8R1.7 NC(=O)[C@@H]1CCCN1 AM20100548 [0,0,0,0,1,0|1,0,2]=4 71 B8R1.7 NC(=O)[C@@H]1CCCN1 AM20100732 [0,0,0,0,1,0|1,0,2]=4 72 B8R1.7 NC(=O)[C@@H]1CCCN1 AM82205 [0,0,0,0,1,0|1,0,2]=4 73 B8R1.7 NC(=O)[C@@H]1CCCN1 AM82206 [0,0,0,0,1,0|1,0,2]=4 74 B8R1.7 O=C(Cl)C1=CSC=C1 AMY28736 [0,0,0,0,1,0|1,0,2]=4 75 B8R1.7 O=C(O)C1=CC=CN1 AM20100569 [0,0,0,0,1,0|1,0,2]=4 76 B8R1.7 O=C(O)C1=CC=NN1 AM804418 [0,0,0,0,1,0|2,0,1]=4 77 B8R1.7 O=C(O)C1=CCCC1 AM20080408 [0,0,0,0,1,0|2,0,0]=3 78 B8R1.7 O=C(O)C1=CCNC1 AMY32011 [0,0,0,0,1,0|3,0,0]=4 79 B8R1.7 O=C(O)C1=CSC=C1 AM20110264 [0,0,0,0,1,0|1,0,2]=4 80 B8R1.7 O=C(O)C1=CSC=N1 AM20100047 [0,0,0,0,1,0|1,0,2]=4 81 B8R1.7 O=C(O)C1=CSN=C1 AMY23522 [0,0,0,0,1,0|2,0,1]=4 82 B8R1.7 O=C(O)[C@@H]1CCCN1 AM20080359 [0,0,0,0,1,0|1,0,2]=4 83 B8R1.7 O=C(O)[C@@H]1CCCN1 AM20090537 [0,0,0,0,1,0|1,0,2]=4 84 B8R1.7 O=C(O)[C@@H]1CCCN1 AM20100482 [0,0,0,0,1,0|1,0,2]=4 85 B8R1.7 O=C(O)[C@@H]1CCCN1 AMY28657 [0,0,0,0,1,0|1,0,2]=4 86 B8R1.7 O=C(O)[C@@H]1CCCS1 AM803451 [0,0,0,0,1,0|2,0,1]=4 87 B8R1.7 O=C(O)[C@@H]1CSCN1 AM81428 [0,0,0,0,1,0|1,0,2]=4 88 B8R1.7 O=C(O)[C@H]1NCCS1 AM20100589 [0,0,0,0,1,0|1,0,1]=3 89 B10R1.18 CC(=O)O[C@@H]1C=CCCC1 AMY31970 [0,0,0,0,0,1|2,0,1]=4 90 B7R0.4 CC(=O)NCCCN AMY36360 [1,0,1,0,0,0|1,0,1]=4 91 B7R0.4 CCO\C=C\C(=O)Cl AMY22514 [1,0,1,0,0,0|1,1,0]=4 92 B7R0.4 CCO\C=C\C(=O)O AMY9262 [1,0,1,0,0,0|1,1,0]=4 93 B7R0.5 CCOC(=O)C(C)=O AMY40824 [1,0,1,0,0,0|1,1,0]=4 94 B7R1.3 CC1=COCCC1 AMY6007 [2,0,0,0,0,0|1,1,0]=4 95 B7R1.3 O=C1C=CCCN1 AMY9701 [2,0,0,0,0,0|1,0,0]=3 96 B7R1.3 O=C1CCCCN1 AM20100626 [2,0,0,0,0,0|1,0,1]=4 97 B7R1.3 O=C1CCCSC1 AM20090115 [2,0,0,0,0,0|1,0,1]=4 98 B7R1.3 O=C1CNCCN1 AM20100386 [2,0,0,0,0,0|1,0,1]=4 99 B7R1.3 O=C1COCCN1 AM20080044 [2,0,0,0,0,0|0,1,1]=4 100 B7R1.3 O=C1CSCCN1 AMY10805 [2,0,0,0,0,0|0,0,1]=3 101 B7R1.3 O=C1NCCCN1 AM90187 [2,0,0,0,0,0|2,0,0]=4 102 B7R1.3 O=C1NCCCO1 AMY19041 [2,0,0,0,0,0|2,0,0]=4 103 B9R0.6 CCOC(=O)[C@@H](N)C(C)=O AM9786 [0,1,1,0,0,0|0,1,1]=4 104 B9R1.15 O=CC1=C(Cl)CCCC1 AM807088 [1,1,0,0,0,0|2,0,0]=4 105 B9R1.11 CCC(=O)C1=CC=CN1 AM802893 [0,1,0,0,1,0|0,0,2]=4 106 B9R1.11 COC(=O)C1=CC=CN1 AM20080137 [0,1,0,0,1,0|0,0,2]=4 107 B9R1.11 COC(=O)C1=CCCC1 AM20090313 [0,1,0,0,1,0|1,0,0]=3 108 B9R1.11 COC(=O)C1=CSC=N1 AMY9336 [0,1,0,0,1,0|0,0,2]=4 109 B9R1.11 COC(=O)[C@@H]1CCCN1 AM20090186 [0,1,0,0,1,0|0,0,2]=4 110 B9R1.11 COC(=O)[C@@H]1CCCN1 AM803993 [0,1,0,0,1,0|0,0,2]=4 111 B9R1.11 COC(=O)[C@@H]1CCCN1 AM82197 [0,1,0,0,1,0|0,0,2]=4 112 B9R1.11 NCC(=O)C1=CC=CN1 AM101383 [0,1,0,0,1,0|0,0,2]=4 113 B9R1.11 O=C(CBr)C1=CC=CN1 AM101209 [0,1,0,0,1,0|0,0,2]=4 114 B9R1.35 CC(=O)C1=CC(N)=NN1 AMY34087 [0,1,0,0,1,0|1,0,1]=4 115 B9R1.35 CC(=O)C1=CSC(N)=N1 AM20070661 [0,1,0,0,1,0|0,0,2]=4 116 B9R1.35 O=C1C=C(C(=O)O)CC1 AMY36569 [0,1,0,0,1,0|2,0,0]=4 117 B9R1.41 CC(=O)C1=CC=CN1C AMY23202 [0,1,0,0,1,0|0,0,2]=4 118 B9R1.41 CC(=O)C1=CC=NN1C AM803189 [0,1,0,0,1,0|1,0,1]=4 119 B11R1.16 CCOC(=O)C1=CCCCC1 AMY31886 [0,2,0,0,0,0|2,0,0]=4 120 B11R1.23 COC(=O)C1=CC(=O)CCC1 AMY26643 [0,2,0,0,0,0|2,0,0]=4 121 B9R1.23 CCN1C=C(N)C(C)=N1 AM20130010 [0,0,1,1,0,0|2,0,0]=4 122 B9R1.23 CCN1C=C(N)C(C)=N1 AM20130012 [0,0,1,1,0,0|2,0,0]=4 123 B9R2.7 O=C1CC2CC=CC12 AMY16601 [0,0,0,1,1,0|1,0,1]=4 124 B7R1.1 COC1=NCCN1 AMY792 [1,0,0,0,1,0|2,0,0]=4 125 B7R1.1 CSC1=NCCS1 AM832 [1,0,0,0,1,0|1,0,1]=4 126 B7R1.1 CSC1=NCCS1 AMY22060 [1,0,0,0,1,0|1,0,1]=4 127 B7R1.1 O=CC1=CC=CN1 AM20070639 [1,0,0,0,1,0|0,0,2]=4 128 B7R1.1 O=CC1=CC=NN1 AMY11891 [1,0,0,0,1,0|1,0,1]=4 129 B7R1.1 O=CC1=CCC=C1 AMY14685 [1,0,0,0,1,0|1,0,1]=4 130 B7R1.1 O=CC1=CCCC1 AMY30885 [1,0,0,0,1,0|1,0,0]=3 131 B7R1.1 O=CC1=CSC=C1 AM20100214 [1,0,0,0,1,0|0,0,2]=4 132 B7R1.1 O=CC1=CSC=N1 AM20090515 [1,0,0,0,1,0|0,0,2]=4 133 B7R1.1 O=C[C@@H]1CCCN1 AM101023 [1,0,0,0,1,0|0,0,2]=4 134 B7R1.1 O=C[C@@H]1CCCN1 AM95058 [1,0,0,0,1,0|0,0,2]=4 135 B7R1.1 O=C[C@@H]1CCCN1 AM95490 [1,0,0,0,1,0|0,0,2]=4 136 B7R1.18 NC(=O)[C@@H]1CCN1 AMY38555 [0,0,0,0,2,0|1,0,1]=4 137 B7R1.18 O=C(O)[C@@H]1CCN1 AM20090145 [0,0,0,0,2,0|1,0,1]=4 138 B7R1.18 O=C(O)[C@@H]1CCN1 AM20090185 [0,0,0,0,2,0|1,0,1]=4 139 B7R1.18 O=C(O)[C@@H]1CCN1 AM20100766 [0,0,0,0,2,0|1,0,1]=4