0 B9R1.11 CCC(=O)C1=CC=CS1 AC-15717 [0,0,0,0,0,0|2,0,1]=3 1 B9R1.11 COC(=O)C1=NC=CS1 AC-23495 [0,0,0,0,0,0|2,0,1]=3 2 B8R1.7 CC(=O)C1=CC=CS1 AC-4918 [1,0,0,0,0,0|2,0,1]=4 3 B8R1.7 CC(=O)C1=NC=CO1 AC-30984 [1,0,0,0,0,0|1,1,1]=4 4 B8R1.7 CC(=O)C1=NC=CS1 AC-3209 [1,0,0,0,0,0|1,0,1]=3 5 B8R1.7 CC(C)C1=NC=CN1 AC-8721 [1,0,0,0,0,0|1,0,0]=2 6 B8R1.7 C[C@@H](N)C1=NC=CS1 AC-29371 [1,0,0,0,0,0|1,0,0]=2 7 B8R1.7 C[C@H](N)C1=NC=CS1 AC-29372 [1,0,0,0,0,0|1,0,0]=2 8 B8R1.7 N=C(N)C1=NC=CS1 AC-23494 [1,0,0,0,0,0|2,0,1]=4 9 B8R1.7 O=C(O)C1=NC=CS1 AC-22744 [1,0,0,0,0,0|2,0,1]=4 10 B8R1.8 CCCC1=NC=CN1 AC-8724 [1,0,0,0,0,0|1,0,0]=2 11 B8R1.8 CCCN1C=NC=N1 AC-14376 [1,0,0,0,0,0|3,0,0]=4 12 B8R1.8 CCNC1=CC=CS1 AC-2681 [1,0,0,0,0,0|2,0,0]=3 13 B8R1.8 CNCC1=CC=CS1 AC-2658 [1,0,0,0,0,0|2,0,0]=3 14 B8R1.8 N#CCC1=CC=CS1 AC-2494 [1,0,0,0,0,0|2,0,1]=4 15 B8R1.8 NCCC1=CC=CS1 AC-6275 [1,0,0,0,0,0|2,0,0]=3 16 B8R1.8 NCCC1=CNC=N1 AC-13185 [1,0,0,0,0,0|3,0,0]=4 17 B8R1.8 NCCC1=CNC=N1 AC-24100 [1,0,0,0,0,0|3,0,0]=4 18 B8R1.8 NCCC1=CNC=N1 AC-7507 [1,0,0,0,0,0|3,0,0]=4 19 B8R1.8 O=C=NC1=NC=CS1 AC-5190 [1,0,0,0,0,0|2,0,1]=4 20 B8R1.8 OCCC1=CC=CS1 AC-6274 [1,0,0,0,0,0|2,0,0]=3 21 B10R1.11 CCOC(=O)C1=CC=CS1 AC-18071 [0,1,0,0,0,0|2,0,1]=4 22 B10R1.11 CCOC(=O)C1=NC=CN1 AC-23221 [0,1,0,0,0,0|2,0,1]=4 23 B10R1.11 CCOC(=O)C1=NC=CO1 AC-27280 [0,1,0,0,0,0|1,1,1]=4 24 B10R1.11 O=C(CCCl)C1=CC=CS1 AC-264 [0,1,0,0,0,0|2,0,1]=4 25 B10R1.11 OC(CCCl)C1=CC=CS1 AC-13568 [0,1,0,0,0,0|2,0,0]=3 26 B10R1.14 COC(=O)C1=NC(Br)=CS1 AC-31239 [0,1,0,0,0,0|2,0,1]=4 27 B10R1.14 COC(=O)C1=NC(C)=CS1 AC-7672 [0,1,0,0,0,0|2,0,1]=4 28 B8R0.3 C\C=C\C(=O)C(C)CC AC-33764 [0,0,1,0,0,0|1,1,1]=4 29 B10R2.16 NC1(C2=CC=CO2)CC1 AC-31175 [0,0,0,1,0,0|2,1,0]=4 30 B10R2.32 O=C1CCN2C=CN=C12 AC-30778 [0,0,0,1,0,0|2,0,1]=4 31 B10R1.15 CCC(=O)C1=CC=CN=C1 AC-15148 [0,0,0,0,0,1|2,0,1]=4 32 B10R1.15 O[C@@H](CCl)C1=CN=CC=C1 AC-25516 [0,0,0,0,0,1|3,0,0]=4 33 B7R1.1 BrCC1=NC=CN1 AC-25722 [2,0,0,0,0,0|2,0,0]=4 34 B7R1.1 CCC1=CC=CS1 AC-16553 [2,0,0,0,0,0|1,0,0]=3 35 B7R1.1 CCC1=NC=CN1 AC-8726 [2,0,0,0,0,0|1,0,0]=3 36 B7R1.1 COC1=CC=CS1 AC-4909 [2,0,0,0,0,0|2,0,0]=4 37 B7R1.1 ClCC1=NC=CO1 AC-30982 [2,0,0,0,0,0|1,1,0]=4 38 B7R1.1 N#CC1=NC=CS1 AC-23466 [2,0,0,0,0,0|1,0,1]=4 39 B7R1.1 NCC1=CC=CS1 AC-15711 [2,0,0,0,0,0|2,0,0]=4 40 B7R1.1 NCC1=NC=CS1 AC-7310 [2,0,0,0,0,0|1,0,0]=3 41 B7R1.1 O=CC1=NC=CS1 AC-33308 [2,0,0,0,0,0|1,0,1]=4 42 B7R1.1 OCC1=NC=CN1 AC-17832 [2,0,0,0,0,0|2,0,0]=4 43 B7R1.1 OCC1=NC=CS1 AC-26524 [2,0,0,0,0,0|1,0,0]=3 44 B9R1.19 C[Si](C)(C)C1=CC=CS1 AC-5089 [1,1,0,0,0,0|1,1,0]=4 45 B9R1.19 C[Si](C)(C)C1=NC=CS1 AC-5111 [1,1,0,0,0,0|0,1,0]=3 46 B9R1.35 CC(C)C1=NC(=O)NO1 AC-13743 [1,1,0,0,0,0|1,1,0]=4 47 B9R1.35 CC(C)C1=NN=C(N)S1 AC-7156 [1,1,0,0,0,0|1,0,0]=3 48 B9R1.35 CC(C)C1=NNC(=O)O1 AC-13172 [1,1,0,0,0,0|1,1,0]=4 49 B9R1.35 CC(C)N1C=C(N)C=N1 AC-30775 [1,1,0,0,0,0|2,0,0]=4 50 B9R1.35 CC1=CNC(C(C)C)=N1 AC-29638 [1,1,0,0,0,0|1,0,0]=3 51 B9R1.35 CC1=CSC(C(C)C)=N1 AC-10802 [1,1,0,0,0,0|0,0,0]=2 52 B9R1.35 CC1=NC(C(C)C)=CN1 AC-13483 [1,1,0,0,0,0|2,0,0]=4 53 B9R1.7 CCOC1=NC(Br)=CS1 AC-25740 [1,1,0,0,0,0|1,0,0]=3 54 B9R1.7 NCCC1=CC(Br)=CS1 AC-29907 [1,1,0,0,0,0|2,0,0]=4 55 B9R1.7 NCCC1=CC=C(Br)S1 AC-29942 [1,1,0,0,0,0|2,0,0]=4 56 B9R1.12 C=NCCC1=CC=CS1 AC-8967 [1,1,0,0,0,0|1,0,1]=4 57 B9R1.12 CCCCC1=NC=CN1 AC-8720 [1,1,0,0,0,0|1,0,0]=3 58 B9R1.12 OCCCC1=CNC=N1 AC-25678 [1,1,0,0,0,0|2,0,0]=4 59 B11R1.12 CCB(CC)C1=CC=CN=C1 AC-22583 [0,1,0,0,0,1|2,0,0]=4 60 B11R1.12 COC(OC)C1=NC=NC=C1 AC-7535 [0,1,0,0,0,1|2,0,0]=4 61 B11R1.16 CN(CCO)C1=NC=CC=C1 AC-3460 [0,1,0,0,0,1|2,0,0]=4 62 B11R1.22 CCC(C)C1=CC=C(N)C=C1 AC-11848 [0,1,0,0,0,1|2,0,0]=4 63 B11R1.36 CC(C)C(N)C1=NC=CC=C1 AC-23632 [0,1,0,0,0,1|2,0,0]=4 64 B11R1.29 CNCCC(O)C1=CC=CS1 AC-31103 [0,2,0,0,0,0|2,0,0]=4 65 B11R1.29 CNCC[C@H](O)C1=CC=CS1 AC-5321 [0,2,0,0,0,0|2,0,0]=4 66 B9R2.2 C1=NC(C2CC2)=CS1 AC-30445 [1,0,0,1,0,0|2,0,0]=4 67 B11R2.40 NC1(C2=CC=CC=N2)CC1 AC-22779 [0,0,0,1,0,1|2,0,0]=4 68 B11R2.40 NC1(C2=CC=CN=C2)CC1 AC-22845 [0,0,0,1,0,1|2,0,0]=4 69 B11R2.40 NC1(C2=NC=CC=C2)CC1 AC-28314 [0,0,0,1,0,1|2,0,0]=4 70 B11R2.40 NC1(C2=NN=CC=C2)CC1 AC-31169 [0,0,0,1,0,1|2,0,0]=4 71 B11R2.2 C1=CSC(C2CCCN2)=C1 AC-5473 [0,1,0,1,0,0|1,0,0]=3 72 B9R1.6 CC(N)C1=CN=CC=C1 AC-7293 [1,0,0,0,0,1|2,0,0]=4 73 B9R1.6 CC(N)C1=NC=CC=C1 AC-33848 [1,0,0,0,0,1|2,0,0]=4 74 B9R1.6 CC(N)C1=NC=CC=C1 AC-7259 [1,0,0,0,0,1|2,0,0]=4 75 B9R1.6 CC(O)C1=CC=CC=N1 AC-7127 [1,0,0,0,0,1|2,0,0]=4 76 B9R1.6 C[C@@H](N)C1=NC=CC=C1 AC-30973 [1,0,0,0,0,1|2,0,0]=4 77 B9R1.6 C[C@H](N)C1=CC=CC=N1 AC-31022 [1,0,0,0,0,1|2,0,0]=4 78 B9R1.6 C[C@H](N)C1=NC=CC=C1 AC-31020 [1,0,0,0,0,1|2,0,0]=4 79 B9R1.8 BrCCC1=NC=CC=C1 AC-20552 [1,0,0,0,0,1|2,0,0]=4 80 B9R1.8 BrCCC1=NC=CC=C1 AC-34188 [1,0,0,0,0,1|2,0,0]=4 81 B9R1.8 CCCC1=CC=NC=C1 AC-18478 [1,0,0,0,0,1|2,0,0]=4 82 B9R1.8 CCOC1=NC=CC=C1 AC-23102 [1,0,0,0,0,1|2,0,0]=4 83 B9R1.8 CCOC1=NC=CN=C1 AC-16589 [1,0,0,0,0,1|2,0,0]=4 84 B9R1.8 CNCC1=CC=CN=C1 AC-2640 [1,0,0,0,0,1|2,0,0]=4 85 B9R1.8 ClCCC1=NC=CC=C1 AC-20553 [1,0,0,0,0,1|2,0,0]=4 86 B9R1.8 NCCC1=CC=CC=N1 AC-15573 [1,0,0,0,0,1|2,0,0]=4 87 B9R1.8 NCCC1=CC=CN=C1 AC-6717 [1,0,0,0,0,1|2,0,0]=4 88 B9R1.8 OCCC1=NC=CC=C1 AC-4672 [1,0,0,0,0,1|2,0,0]=4 89 B11R1.25 CCC(C)SSC1=NC=CN1 AC-32876 [0,0,0,0,0,2|1,0,0]=3