0 B9R1.6 CC(=O)C1=CC=CC=C1 AC-74174 [0,0,0,0,0,0|2,0,2]=4 1 B9R1.6 CC(=O)C1=CC=NC=C1 AC-22437 [0,0,0,0,0,0|3,0,1]=4 2 B9R1.6 CC(=O)C1=CC=NC=N1 AC-44110 [0,0,0,0,0,0|2,0,2]=4 3 B9R1.6 CC(=O)C1=CC=NN=C1 AC-68578 [0,0,0,0,0,0|3,0,1]=4 4 B9R1.6 CC(=O)C1=NC=CC=C1 AC-22438 [0,0,0,0,0,0|1,0,3]=4 5 B9R1.6 CC(=O)C1=NN=CC=C1 AC-32421 [0,0,0,0,0,0|2,0,2]=4 6 B9R1.6 CC(=O)C1CCCCN1 AC-59637 [0,0,0,0,0,0|1,0,2]=3 7 B9R1.6 CC(=O)C1CCCCN1 AC-75764 [0,0,0,0,0,0|1,0,2]=3 8 B9R1.6 CC(=O)C1CNCCO1 AC-90531 [0,0,0,0,0,0|2,0,2]=4 9 B9R1.6 CC(=O)N1CCCCC1 AC-62125 [0,0,0,0,0,0|3,0,1]=4 10 B9R1.6 NC(=O)C1CCCCN1 AC-58730 [0,0,0,0,0,0|2,0,2]=4 11 B9R1.6 O=C(O)C1=CCCCC1 AC-27219 [0,0,0,0,0,0|3,0,0]=3 12 B9R1.6 O=C(O)C1=CCCOC1 AC-40735 [0,0,0,0,0,0|2,1,1]=4 13 B9R1.6 O=C(O)C1=CCNCC1 AC-94498 [0,0,0,0,0,0|4,0,0]=4 14 B9R1.6 O=C(O)C1CCCCN1 AC-10556 [0,0,0,0,0,0|2,0,2]=4 15 B9R1.6 O=C(O)C1CCCCN1 AC-11054 [0,0,0,0,0,0|2,0,2]=4 16 B9R1.6 O=C(O)C1CCCCN1 AC-11295 [0,0,0,0,0,0|2,0,2]=4 17 B9R1.6 O=C(O)C1CNCCN1 AC-11051 [0,0,0,0,0,0|2,0,2]=4 18 B9R1.6 O=C(O)C1CNCCN1 AC-23992 [0,0,0,0,0,0|2,0,2]=4 19 B9R1.6 O=C(O)C1COCCN1 AC-39823 [0,0,0,0,0,0|1,1,2]=4 20 B9R1.6 O=C(O)C1NCCCS1 AC-84721 [0,0,0,0,0,0|3,0,1]=4 21 B9R1.6 O=C(O)[C@@H]1CCCCN1 AC-77435 [0,0,0,0,0,0|2,0,2]=4 22 B9R1.6 O=C(O)[C@@H]1CNCCN1 AC-22116 [0,0,0,0,0,0|2,0,2]=4 23 B9R1.6 O=C(O)[C@@H]1COCCN1 AC-80681 [0,0,0,0,0,0|1,1,2]=4 24 B9R1.6 O=C(O)[C@H]1CCCCN1 AC-40464 [0,0,0,0,0,0|2,0,2]=4 25 B8R1.2 O=CC1=CCCOC1 AC-28131 [1,0,0,0,0,0|1,1,1]=4 26 B10R1.15 COC(=O)C1=CCCCC1 AC-64778 [0,1,0,0,0,0|2,0,0]=3 27 B10R1.15 COC(=O)C1=CCCNC1 AC-87749 [0,1,0,0,0,0|2,0,1]=4 28 B10R1.15 COC(=O)C1=CCOCC1 AC-40737 [0,1,0,0,0,0|3,0,0]=4 29 B10R1.15 COC(=O)C1CCCCN1 AC-31518 [0,1,0,0,0,0|1,0,2]=4 30 B10R1.15 COC(=O)C1COCCN1 AC-81593 [0,1,0,0,0,0|0,1,2]=4 31 B10R1.15 COC(=O)[C@H]1CCCCN1 AC-20580 [0,1,0,0,0,0|1,0,2]=4 32 B10R1.15 COC(=O)[C@H]1COCCN1 AC-39888 [0,1,0,0,0,0|0,1,2]=4 33 B10R1.61 CC(=O)C1CCCCC1=O AC-22370 [0,1,0,0,0,0|2,0,1]=4 34 B10R1.61 CC(=O)C1CCCNC1=O AC-94359 [0,1,0,0,0,0|2,0,1]=4 35 B10R1.61 CC(=O)N1CCCCC1=O AC-86688 [0,1,0,0,0,0|3,0,0]=4 36 B8R1.7 CC(=O)C1=CC=NN1 AC-75614 [0,0,0,0,1,0|1,0,1]=3 37 B8R1.7 CC(=O)C1=CC=NN1 AC-87358 [0,0,0,0,1,0|1,0,1]=3 38 B8R1.7 CC(=O)C1=CC=NN1 AC-93294 [0,0,0,0,1,0|1,0,1]=3 39 B8R1.7 CC(=O)C1=CN=NS1 AC-89607 [0,0,0,0,1,0|3,0,0]=4 40 B8R1.7 CC(=O)C1=CNC=N1 AC-32517 [0,0,0,0,1,0|1,0,2]=4 41 B8R1.7 CC(=O)C1=CNC=N1 AC-81513 [0,0,0,0,1,0|1,0,2]=4 42 B8R1.7 CC(=O)C1=CNN=C1 AC-24214 [0,0,0,0,1,0|2,0,1]=4 43 B8R1.7 CC(=O)C1=CSC=C1 AC-11311 [0,0,0,0,1,0|0,0,2]=3 44 B8R1.7 CC(=O)C1=CSC=N1 AC-75784 [0,0,0,0,1,0|0,0,2]=3 45 B8R1.7 CC(=O)C1=NC=CS1 AC-13517 [0,0,0,0,1,0|0,0,3]=4 46 B8R1.7 CC(=O)C1=NOC=C1 AC-30091 [0,0,0,0,1,0|1,0,2]=4 47 B8R1.7 NC(=O)C1CCCN1 AC-56570 [0,0,0,0,1,0|1,0,2]=4 48 B8R1.7 NC(=O)[C@@H]1CCCN1 AC-11445 [0,0,0,0,1,0|1,0,2]=4 49 B8R1.7 O=C(O)C1=CC=CN1 AC-24039 [0,0,0,0,1,0|1,0,2]=4 50 B8R1.7 O=C(O)C1=CC=NN1 AC-24011 [0,0,0,0,1,0|2,0,1]=4 51 B8R1.7 O=C(O)C1=CC=NN1 AC-77466 [0,0,0,0,1,0|2,0,1]=4 52 B8R1.7 O=C(O)C1=CN=NN1 AC-72290 [0,0,0,0,1,0|3,0,0]=4 53 B8R1.7 O=C(O)C1=CSC=C1 AC-13156 [0,0,0,0,1,0|1,0,2]=4 54 B8R1.7 O=C(O)C1=CSC=N1 AC-12920 [0,0,0,0,1,0|1,0,2]=4 55 B8R1.7 O=C(O)C1=CSN=C1 AC-80923 [0,0,0,0,1,0|2,0,1]=4 56 B8R1.7 O=C(O)C1=CSN=N1 AC-12603 [0,0,0,0,1,0|2,0,1]=4 57 B8R1.7 O=C(O)C1CCCN1 AC-19172 [0,0,0,0,1,0|1,0,2]=4 58 B8R1.7 O=C(O)C1NCCS1 AC-62961 [0,0,0,0,1,0|1,0,1]=3 59 B8R1.7 O=C(O)[C@@H]1C=CCN1 AC-82950 [0,0,0,0,1,0|1,0,2]=4 60 B8R1.7 O=C(O)[C@H]1CCCN1 AC-10596 [0,0,0,0,1,0|1,0,2]=4 61 B7R0.4 CCO\C=C\C(=O)O AC-28683 [1,0,1,0,0,0|1,1,0]=4 62 B7R1.3 O=C1C=CCCN1 AC-80994 [2,0,0,0,0,0|1,0,0]=3 63 B9R1.8 O=CNC1=CCCCC1 AC-59780 [1,1,0,0,0,0|2,0,0]=4 64 B9R1.11 COC(=O)C1=CCCC1 AC-45375 [0,1,0,0,1,0|1,0,0]=3 65 B9R1.11 COC(=O)C1=CN=NN1 AC-43637 [0,1,0,0,1,0|2,0,0]=4 66 B9R1.11 COC(=O)C1=CSC=C1 AC-31906 [0,1,0,0,1,0|0,0,2]=4 67 B9R1.11 COC(=O)C1CCCN1 AC-45325 [0,1,0,0,1,0|0,0,2]=4 68 B9R1.11 COC(=O)[C@@H]1CCCN1 AC-16155 [0,1,0,0,1,0|0,0,2]=4 69 B9R1.11 O=C(CBr)C1=CSC=C1 AC-25560 [0,1,0,0,1,0|0,0,2]=4 70 B9R1.11 O=C(CBr)C1=CSC=N1 AC-76254 [0,1,0,0,1,0|0,0,2]=4 71 B9R1.11 O=C(CBr)C1=CSC=N1 AC-91485 [0,1,0,0,1,0|0,0,2]=4 72 B9R1.35 CC(=O)C1=CC=C(C)N1 AC-92815 [0,1,0,0,1,0|0,0,2]=4 73 B9R1.35 CC(=O)C1=CSC(Br)=C1 AC-80560 [0,1,0,0,1,0|0,0,2]=4 74 B9R1.35 CC(=O)C1=CSC(Br)=N1 AC-88389 [0,1,0,0,1,0|0,0,2]=4 75 B9R1.35 CC(=O)C1=CSC(Cl)=N1 AC-88390 [0,1,0,0,1,0|0,0,2]=4 76 B9R1.35 CC(=O)C1=CSC(N)=N1 AC-58412 [0,1,0,0,1,0|0,0,2]=4 77 B9R1.41 CC(=O)C1=C(C)C=CN1 AC-82219 [0,1,0,0,1,0|0,0,2]=4 78 B9R1.41 CC(=O)C1=C(C)SC=N1 AC-82106 [0,1,0,0,1,0|0,0,2]=4 79 B9R1.41 CC(=O)C1=CC=CN1N AC-88557 [0,1,0,0,1,0|0,0,2]=4 80 B9R1.41 CC(=O)C1=CC=CN1N AC-93526 [0,1,0,0,1,0|0,0,2]=4 81 B9R1.41 CC(=O)C1=CC=NN1C AC-40801 [0,1,0,0,1,0|1,0,1]=4 82 B9R1.41 CC(=O)C1CCCC1=O AC-85351 [0,1,0,0,1,0|1,0,1]=4 83 B9R1.41 CC(=O)C1CCOC1=O AC-22364 [0,1,0,0,1,0|0,1,1]=4 84 B11R1.16 CCOC(=O)C1CSCCN1 AC-85495 [0,2,0,0,0,0|0,0,2]=4 85 B9R1.7 CC1=CC=C(CCN)S1 AC-61042 [0,0,1,1,0,0|1,1,0]=4 86 B9R1.23 CCN1C=C(N)C(C)=N1 AC-54385 [0,0,1,1,0,0|2,0,0]=4 87 B9R1.23 CCN1C=C(N)C(C)=N1 AC-75906 [0,0,1,1,0,0|2,0,0]=4 88 B7R1.1 O=CC1=CC=NN1 AC-80397 [1,0,0,0,1,0|1,0,1]=4 89 B7R1.1 O=CC1=CCCC1 AC-80756 [1,0,0,0,1,0|1,0,0]=3 90 B7R1.1 O=CC1=CSC=C1 AC-13155 [1,0,0,0,1,0|0,0,2]=4 91 B7R1.1 O=CC1=CSC=N1 AC-21274 [1,0,0,0,1,0|0,0,2]=4 92 B7R1.1 O=CC1=CSN=N1 AC-84262 [1,0,0,0,1,0|1,0,1]=4 93 B7R1.18 NC(=O)C1CCN1 AC-59671 [0,0,0,0,2,0|1,0,1]=4 94 B7R1.18 O=C(O)[C@@H]1CCN1 AC-16024 [0,0,0,0,2,0|1,0,1]=4 95 B7R1.18 O=C(O)[C@H]1CCN1 AC-20594 [0,0,0,0,2,0|1,0,1]=4