0 B13R1.348 CC(C)CC(=O)CC1=CC=CC=C1 AC-93702 [0,0,0,0,0,0|1,0,0]=1 1 B12R1.32 CCOC(=O)CC1=CC=CN=C1 AC-29265 [1,0,0,0,0,0|1,0,0]=2 2 B12R1.32 CCOC(=O)CC1=CC=NC=N1 AC-80877 [1,0,0,0,0,0|2,0,0]=3 3 B12R1.32 CCOC(=O)CC1=NC=CC=N1 AC-45273 [1,0,0,0,0,0|2,0,0]=3 4 B12R1.32 CCOC(=O)CC1=NC=CN=C1 AC-79737 [1,0,0,0,0,0|2,0,0]=3 5 B12R1.32 O=C(CCCl)NC1=CC=CC=C1 AC-37451 [1,0,0,0,0,0|3,0,0]=4 6 B14R1.433 CC(C)(C)OC(=O)NC1=CC=NC=C1 AC-45344 [0,1,0,0,0,0|2,0,0]=3 7 B12R1.43 CC(C)C(=O)CC1=NC=CC=C1 AC-85634 [0,0,0,0,1,0|1,0,0]=2 8 B12R1.43 CN(C)C(=O)NC1=CC=CC=C1 AC-86700 [0,0,0,0,1,0|2,0,0]=3 9 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 AC-22851 [0,0,0,0,1,0|2,0,1]=4 10 B12R1.107 CC(C)NC(=O)C1=CC=CC=C1 AC-30036 [0,0,0,0,1,0|1,0,0]=2 11 B12R1.107 CC(C)NC(C)C1=CC=CC=C1 AC-95303 [0,0,0,0,1,0|2,0,1]=4 12 B12R1.107 CC(C)OC(=O)C1=CC=NC=N1 AC-88627 [0,0,0,0,1,0|2,0,0]=3 13 B14R1.423 CC(=O)NOC(=O)CC1=CC=CC=C1 AC-24142 [0,0,0,0,0,1|1,0,1]=3 14 B11R1.40 COC(=N)CC1=CC=CC=C1 AC-95822 [2,0,0,0,0,0|1,0,0]=3 15 B11R1.40 COC(=O)CC1=CC=CN=C1 AC-72096 [2,0,0,0,0,0|1,0,0]=3 16 B11R1.40 O=C(CBr)CC1=CC=CC=C1 AC-75854 [2,0,0,0,0,0|1,0,0]=3 17 B11R1.40 O=C(CCl)NC1=CC=CC=C1 AC-16971 [2,0,0,0,0,0|2,0,0]=4 18 B13R1.19 CCOC(=O)CC1=CC=C(Br)C=C1 AC-23542 [1,1,0,0,0,0|0,0,0]=2 19 B13R1.19 CCOC(=O)CC1=CC=C(Cl)C=C1 AC-79933 [1,1,0,0,0,0|0,0,0]=2 20 B13R1.19 CCOC(=O)CC1=CC=C(F)C=C1 AC-79531 [1,1,0,0,0,0|0,0,0]=2 21 B13R1.19 CCOC(=O)CC1=CC=C(O)C=C1 AC-14351 [1,1,0,0,0,0|0,0,0]=2 22 B13R1.19 CCOC(=O)CC1=NC=C(Cl)C=C1 AC-84747 [1,1,0,0,0,0|1,0,0]=3 23 B13R1.19 CCOC(=O)CC1=NC=C(N)C=C1 AC-69599 [1,1,0,0,0,0|1,0,0]=3 24 B13R1.19 CCOC(=O)CN1C=CC(=N)C=C1 AC-83297 [1,1,0,0,0,0|1,0,0]=3 25 B13R1.20 CCOC(=O)CC1=CC(F)=CN=C1 AC-69923 [1,1,0,0,0,0|1,0,0]=3 26 B13R1.20 CCOC(=O)CC1=CC=CC(Br)=C1 AC-38350 [1,1,0,0,0,0|0,0,0]=2 27 B13R1.20 CCOC(=O)CC1=CC=CC(F)=C1 AC-95050 [1,1,0,0,0,0|0,0,0]=2 28 B13R1.20 CCOC(=O)C[N+]1=CC(N)=CC=C1 AC-93235 [1,1,0,0,0,0|1,0,0]=3 29 B13R1.47 CCOC(=O)C(=O)C1=NC=CC=C1 AC-69865 [1,1,0,0,0,0|1,0,1]=4 30 B13R1.47 CCOC(=O)C(N)C1=NC=CC=C1 AC-41140 [1,1,0,0,0,0|1,0,0]=3 31 B13R1.135 CCC(Br)C(=O)NC1=CC=CC=C1 AC-52421 [1,1,0,0,0,0|2,0,0]=4 32 B13R1.470 CCOC(=O)CC1=CC=CN=C1Cl AC-69588 [1,1,0,0,0,0|1,0,0]=3 33 B13R1.470 CCOC(=O)CC1=NC=CC=C1Br AC-69964 [1,1,0,0,0,0|1,0,0]=3 34 B13R1.470 CCOC(=O)CN1C=CC=CC1=N AC-85580 [1,1,0,0,0,0|1,0,0]=3 35 B13R1.353 CC(C)(C)C(=O)NC1=CC=CN=C1 AC-31442 [0,1,0,0,1,0|2,0,0]=4 36 B13R1.353 CC(C)(C)C(=O)NC1=NC=CC=C1 AC-31440 [0,1,0,0,1,0|2,0,0]=4 37 B13R1.132 CC(C)NC(=O)C1=CC=C(Br)C=C1 AC-86430 [0,1,0,0,1,0|1,0,0]=3 38 B13R1.147 CC(C)NC(=O)C1=CC=CC(Br)=C1 AC-84504 [0,1,0,0,1,0|1,0,0]=3 39 B13R1.147 CC(C)NC(=O)C1=CC=CC(N)=C1 AC-55458 [0,1,0,0,1,0|1,0,0]=3 40 B13R1.147 CC(C)NC(=O)C1=CN=CC(Br)=C1 AC-94518 [0,1,0,0,1,0|2,0,0]=4 41 B13R1.201 CC(C)NC(=O)C1=C(N)N=CC=C1 AC-87306 [0,1,0,0,1,0|2,0,0]=4 42 B13R1.352 CC(C)(C)NC(=O)C1=CC=NC=C1 AC-86996 [0,1,0,0,1,0|2,0,0]=4 43 B13R1.1116 CC(C)(C)OC(=O)NC1=CC=CO1 AC-41479 [0,1,0,0,1,0|2,0,0]=4 44 B13R1.1116 CC(C)(C)OC(=O)NC1=CSC=C1 AC-92606 [0,1,0,0,1,0|2,0,0]=4 45 B15R1.3675 CC(C)C(=O)CC(=O)NC1=CC=CC=C1 AC-38821 [0,1,0,0,0,1|2,0,0]=4 46 B15R1.3465 CC(C)(C)OC(=O)C#CC1=CC=CN=C1 AC-88183 [0,1,0,0,0,1|1,0,1]=4 47 B15R1.3465 CC(C)(C)OC(=O)C#CC1=NC=CC=C1 AC-91245 [0,1,0,0,0,1|1,0,1]=4 48 B15R1.3465 CC(C)(C)OC(=O)NCC1=CC=CN=C1 AC-41267 [0,1,0,0,0,1|1,0,0]=3 49 B15R1.3465 CC(C)(C)OC(=O)NCC1=NC=CC=C1 AC-41266 [0,1,0,0,0,1|1,0,0]=3 50 B15R1.3465 CC(C)(C)OC(=O)\N=C\C1=CC=CC=C1 AC-91301 [0,1,0,0,0,1|0,0,1]=3 51 B15R1.3678 CC(C)N(O)C(=O)OCC1=CC=CC=C1 AC-90509 [0,1,0,0,0,1|1,0,0]=3 52 B15R1.3678 CC(C)[C@H](N)C(=O)OCC1=CC=CC=C1 AC-62303 [0,1,0,0,0,1|1,0,0]=3 53 B15R1.5802 CC(C)(C)OC(=O)NC1=C(Br)C=NC=C1 AC-43166 [0,2,0,0,0,0|2,0,0]=4 54 B15R1.5802 CC(C)(C)OC(=O)NC1=CC=CC=C1Br AC-96403 [0,2,0,0,0,0|1,0,0]=3 55 B15R1.5802 CC(C)(C)OC(=O)NC1=CC=CC=C1N AC-32453 [0,2,0,0,0,0|1,0,0]=3 56 B15R1.5802 CC(C)(C)OC(=O)NC1=CC=CN=C1Br AC-71566 [0,2,0,0,0,0|2,0,0]=4 57 B15R1.5802 CC1=CC=CN=C1NC(=O)OC(C)(C)C AC-94737 [0,2,0,0,0,0|2,0,0]=4 58 B15R1.3977 CC(C)(C)OC(=O)[C@@H](N)C1=CC=CC=C1 AC-77453 [0,2,0,0,0,0|0,0,0]=2 59 B15R1.913 CC(C)(C)NC(=O)CC1=NC=C(Br)C=C1 AC-88043 [0,2,0,0,0,0|2,0,0]=4 60 B15R1.913 CC(C)(C)OC(=O)CC1=CC=C(N)C=C1 AC-87894 [0,2,0,0,0,0|0,0,0]=2 61 B15R1.913 CC(C)(C)OC(=O)NC1=CC=C(O)C=C1 AC-18934 [0,2,0,0,0,0|1,0,0]=3 62 B15R1.913 CC(C)(C)OC(=O)NC1=NC=C(Cl)C=C1 AC-67833 [0,2,0,0,0,0|2,0,0]=4 63 B15R1.913 CC(C)(C)OC(=O)NC1=NC=C(N)C=C1 AC-79331 [0,2,0,0,0,0|2,0,0]=4 64 B15R1.8303 CC(C)(C)NC(=O)CC1=CC=CC(Br)=C1 AC-90962 [0,2,0,0,0,0|1,0,0]=3 65 B15R1.8303 CC(C)(C)OC(=O)CC1=CC=CC(Br)=C1 AC-80788 [0,2,0,0,0,0|0,0,0]=2 66 B15R1.8303 CC(C)(C)OC(=O)NC1=CC(I)=CN=C1 AC-80112 [0,2,0,0,0,0|2,0,0]=4 67 B15R1.8303 CC(C)(C)OC(=O)NC1=CC=CC(I)=C1 AC-88509 [0,2,0,0,0,0|1,0,0]=3 68 B15R1.8303 CC(C)(C)OC(=O)NC1=CC=CC(N)=C1 AC-67081 [0,2,0,0,0,0|1,0,0]=3 69 B15R1.8303 CC(C)(C)OC(=O)NC1=NC(N)=CC=C1 AC-59940 [0,2,0,0,0,0|2,0,0]=4 70 B15R1.8303 CC(C)(C)OC(=O)NC1=NC=CC(Br)=C1 AC-41028 [0,2,0,0,0,0|2,0,0]=4 71 B15R1.8303 CC(C)(C)OC(=O)NC1=NC=CC(Cl)=C1 AC-33464 [0,2,0,0,0,0|2,0,0]=4 72 B15R1.8303 CC1=CC=CC(NC(=O)OC(C)(C)C)=N1 AC-41324 [0,2,0,0,0,0|2,0,0]=4 73 B13R2.15 CC1=NCCC1C2=CC=CC=C2 AC-95940 [1,0,0,1,0,0|2,0,0]=4 74 B13R2.15 O=C1NCCN1C2=CC=CC=C2 AC-75983 [1,0,0,1,0,0|2,0,0]=4 75 B13R2.15 O=C1OCCC1C2=CC=NC=C2 AC-88715 [1,0,0,1,0,0|1,0,0]=3 76 B13R2.163 O=C1CCCC2=CC=CC=C2N1 AC-19159 [1,0,0,1,0,0|2,0,0]=4 77 B13R2.444 O=C(CC1=NC=CC=C1)C2CC2 AC-93151 [1,0,0,1,0,0|2,0,0]=4 78 B13R2.3122 CC1(C)CNCC2=C1C=CC=C2 AC-90795 [1,0,0,1,0,0|2,0,0]=4 79 B13R2.3122 CC1(C)NCCC2=C1C=CC=C2 AC-80793 [1,0,0,1,0,0|1,0,1]=4 80 B13R2.359 CC1=NC2=C(C=CC=C2)C1(C)C AC-13488 [0,0,0,1,1,0|2,0,0]=4 81 B13R2.369 CN1CC2=C(C=CC=C2)CC1=O AC-92474 [0,0,0,1,1,0|1,0,0]=3 82 B13R2.435 CC(C)C1=CC2=C(C=CC=C2)N1 AC-76425 [0,0,0,1,1,0|1,0,1]=4 83 B13R2.435 CC(C)C1=CC2=CC=CC=C2O1 AC-89854 [0,0,0,1,1,0|0,0,2]=4 84 B13R2.12159 CC1(C)CC(=O)C2=C1C=CC=C2 AC-28437 [0,0,0,1,1,0|1,0,0]=3 85 B13R2.12159 CC1(C)NC(=O)C2=C1C=CC=C2 AC-70298 [0,0,0,1,1,0|1,0,0]=3 86 B15R2.33 CC1=NNC(=O)C(C2=CC=CC=C2)C1 AC-85660 [0,0,0,1,0,1|1,0,1]=4 87 B15R2.7532 CC1(C)COC(CC2=CC=CC=C2)=N1 AC-85415 [0,0,0,1,0,1|1,0,0]=3 88 B15R2.7532 CC1(C)COC(CC2=CC=CC=C2)=N1 AC-93709 [0,0,0,1,0,1|1,0,0]=3 89 B15R2.13973 CC1(C)CC(=O)NC2=C1C=C(Cl)C=C2 AC-90447 [0,1,0,1,0,0|2,0,0]=4 90 B15R2.13973 CC1(C)CC(=O)NC2=C1C=C(F)C=C2 AC-88257 [0,1,0,1,0,0|2,0,0]=4 91 B15R2.7491 CC1(C)CC(=O)NC2=C1C=CC(F)=C2 AC-93222 [0,1,0,1,0,0|2,0,0]=4 92 B11R1.16 CCCC(=O)C1=CC=CN=C1 AC-89818 [1,0,0,0,1,0|2,0,0]=4 93 B11R1.16 CCCC(=O)C1=CC=NC=C1 AC-80358 [1,0,0,0,1,0|2,0,0]=4 94 B11R1.16 CCOC(=O)C1=CC=NC=C1 AC-74067 [1,0,0,0,1,0|1,0,0]=3 95 B11R1.16 CCOC(=O)C1=CN=CC=C1 AC-66280 [1,0,0,0,1,0|1,0,0]=3 96 B11R1.16 CCOC(=O)C1=CN=CN=C1 AC-29270 [1,0,0,0,1,0|2,0,0]=4 97 B11R1.16 CCOC(=O)C1=NC=CC=C1 AC-66261 [1,0,0,0,1,0|1,0,0]=3 98 B11R1.16 CCOC(=O)C1=NC=CC=N1 AC-29271 [1,0,0,0,1,0|2,0,0]=4 99 B11R1.30 CCOC(=O)CC1=CC=CS1 AC-23554 [1,0,0,0,1,0|1,0,0]=3 100 B11R1.30 CCOC(=O)CC1=CSC=C1 AC-93425 [1,0,0,0,1,0|1,0,0]=3 101 B11R1.30 CCOC(=O)CC1=CSC=N1 AC-72333 [1,0,0,0,1,0|2,0,0]=4 102 B11R1.30 CCOC(=O)CC1=NC=CS1 AC-79517 [1,0,0,0,1,0|2,0,0]=4 103 B11R1.36 CC(C)C(=O)C1=CC=CC=C1 AC-75245 [0,0,0,0,2,0|0,0,0]=2 104 B11R1.36 CC(C)C(=O)C1=NC=CC=C1 AC-41193 [0,0,0,0,2,0|1,0,0]=3 105 B11R1.36 CC(C)C(Br)C1=CC=CC=C1 AC-88554 [0,0,0,0,2,0|1,0,1]=4 106 B13R1.42 CCOC(=O)C#CC1=NC=CC=C1 AC-92847 [1,0,0,0,0,1|1,0,1]=4 107 B13R1.42 CCOC(=O)CSC1=NC=CC=C1 AC-88970 [1,0,0,0,0,1|1,0,0]=3 108 B13R1.42 O=C(CCCl)NCC1=CC=CC=C1 AC-83666 [1,0,0,0,0,1|2,0,0]=4 109 B13R1.42 O=C(CCO)OCC1=CC=CC=C1 AC-81818 [1,0,0,0,0,1|2,0,0]=4 110 B15R1.5919 CC(O)C#CC(=O)OCC1=CC=CC=C1 AC-95038 [0,0,0,0,0,2|2,0,0]=4