0 B14R1.22 CCCCN(CC)C1=CC(=CC=C1)Br MCULE-3099152306 [1,0,0,0,0,0|3,0,0]=4 1 B14R1.36 CCC[C@@H](O)[C@@H](N)C1=CC(=CC=C1)O MCULE-2887421957 [1,0,0,0,0,0|3,0,0]=4 2 B14R1.36 CCC[C@@H](O)[C@@H](N)C1=CC(=CC=C1)O MCULE-3342610668 [1,0,0,0,0,0|3,0,0]=4 3 B14R1.36 CCC[C@H](O)[C@H](N)C1=CC(=CC=C1)O MCULE-2245573549 [1,0,0,0,0,0|3,0,0]=4 4 B14R1.36 CCC[C@H](O)[C@H](N)C1=CC(=CC=C1)O MCULE-5947903614 [1,0,0,0,0,0|3,0,0]=4 5 B14R1.604 CCC(C1=CC=CC=C1)N(C)CCN MCULE-3263167279 [1,0,0,0,0,0|3,0,0]=4 6 B14R1.604 CCC(C1=CC=CC=C1)N(C)CCO MCULE-8909948166 [1,0,0,0,0,0|3,0,0]=4 7 B16R1.3222 CC[C@@H](C1=CC(=CC=C1)O)[C@@H](C)CN(C)C MCULE-1732095560 [0,1,0,0,0,0|0,0,0]=1 8 B16R1.3222 CC[C@@H](C1=CC(=CC=C1)O)[C@@H](C)CN(C)C MCULE-5500000708 [0,1,0,0,0,0|0,0,0]=1 9 B16R1.3222 CC[C@@H](C1=CC(=CC=C1)O)[C@@H](C)CN(C)C MCULE-7547149351 [0,1,0,0,0,0|0,0,0]=1 10 B16R1.3222 CC[C@@H](C1=CC=CC(=C1)O)[C@@H](C)CN(C)C MCULE-9278746758 [0,1,0,0,0,0|0,0,0]=1 11 B16R2.2222 NCC(C1=CC(=CC=C1)O)N2CCCC2 MCULE-4107661591 [0,0,0,1,0,0|3,0,0]=4 12 B13R1.2 CCCN(CC)C1=CC(=CC=C1)Br MCULE-8517600554 [2,0,0,0,0,0|2,0,0]=4 13 B13R1.2 CCN(CCN)C1=CC=CC(=C1)C MCULE-8959918590 [2,0,0,0,0,0|2,0,0]=4 14 B13R1.2 CNCC(OC)C1=CC(=CC=C1)Br MCULE-1116351965 [2,0,0,0,0,0|2,0,0]=4 15 B13R1.2 CNCC(OC)C1=CC(=CC=C1)Cl MCULE-6461533058 [2,0,0,0,0,0|2,0,0]=4 16 B13R1.2 CNCC(OC)C1=CC(=CC=C1)F MCULE-4897827995 [2,0,0,0,0,0|2,0,0]=4 17 B13R1.18 CCCCC(N)C1=CC=CC(=C1)O MCULE-4276380135 [2,0,0,0,0,0|2,0,0]=4 18 B13R1.18 CCCC[C@@H](N)C1=CC(=CC=C1)O MCULE-4117550004 [2,0,0,0,0,0|2,0,0]=4 19 B13R1.18 CCCC[C@@H](N)C1=CC(=CC=C1)O MCULE-4386244801 [2,0,0,0,0,0|2,0,0]=4 20 B13R1.18 CCCC[C@H](N)C1=CC(=CC=C1)O MCULE-1868315498 [2,0,0,0,0,0|2,0,0]=4 21 B13R1.18 CCCC[C@H](N)C1=CC(=CC=C1)O MCULE-8365733008 [2,0,0,0,0,0|2,0,0]=4 22 B13R1.26 CCCNC(CC)C1=CC=CC=C1 MCULE-6194463648 [2,0,0,0,0,0|2,0,0]=4 23 B13R1.26 CCNCC(CC)C1=CC=CC=C1 MCULE-6524482026 [2,0,0,0,0,0|2,0,0]=4 24 B13R1.26 CNC(CCOC)C1=CC=CC=C1 MCULE-9456488284 [2,0,0,0,0,0|2,0,0]=4 25 B13R1.22 CCC(C)[C@@H](N)C1=CC(=CC=C1)Cl MCULE-7880539553 [2,0,0,0,0,0|2,0,0]=4 26 B13R1.22 CCC(C)[C@@H](N)C1=CC(=CC=C1)Cl MCULE-7959357468 [2,0,0,0,0,0|2,0,0]=4 27 B13R1.22 CCC(C)[C@@H](N)C1=CC(=CC=C1)O MCULE-7559505256 [2,0,0,0,0,0|1,0,0]=3 28 B13R1.22 CCC(C)[C@@H](N)C1=CC(=CC=C1)O MCULE-9946009796 [2,0,0,0,0,0|1,0,0]=3 29 B13R1.22 CCC(C)[C@@H](N)C1=CC=CC(=C1)Br MCULE-3737067423 [2,0,0,0,0,0|2,0,0]=4 30 B13R1.22 CCC(C)[C@@H](N)C1=CC=CC(=C1)Br MCULE-9670218779 [2,0,0,0,0,0|2,0,0]=4 31 B13R1.22 CCC(C)[C@@H](N)C1=CC=CC(=C1)C MCULE-4636663185 [2,0,0,0,0,0|2,0,0]=4 32 B13R1.22 CCC(C)[C@@H](N)C1=CC=CC(=C1)C MCULE-6071227532 [2,0,0,0,0,0|2,0,0]=4 33 B13R1.22 CCC(C)[C@@H](N)C1=CC=CC(=C1)F MCULE-2706676384 [2,0,0,0,0,0|2,0,0]=4 34 B13R1.22 CCC(C)[C@@H](N)C1=CC=CC(=C1)F MCULE-9882732513 [2,0,0,0,0,0|2,0,0]=4 35 B13R1.22 CCC(C)[C@@H](N)C1=CC=CC(=C1)I MCULE-4867070138 [2,0,0,0,0,0|2,0,0]=4 36 B13R1.22 CCC(C)[C@@H](N)C1=CC=CC(=C1)I MCULE-8063885020 [2,0,0,0,0,0|2,0,0]=4 37 B13R1.22 CCC(C)[C@H](N)C1=CC(=CC=C1)Cl MCULE-1272185540 [2,0,0,0,0,0|2,0,0]=4 38 B13R1.22 CCC(C)[C@H](N)C1=CC(=CC=C1)Cl MCULE-8762896810 [2,0,0,0,0,0|2,0,0]=4 39 B13R1.22 CCC(C)[C@H](N)C1=CC(=CC=C1)O MCULE-8509736288 [2,0,0,0,0,0|1,0,0]=3 40 B13R1.22 CCC(C)[C@H](N)C1=CC(=CC=C1)O MCULE-9763570503 [2,0,0,0,0,0|1,0,0]=3 41 B13R1.22 CCC(C)[C@H](N)C1=CC=CC(=C1)Br MCULE-3725186953 [2,0,0,0,0,0|2,0,0]=4 42 B13R1.22 CCC(C)[C@H](N)C1=CC=CC(=C1)Br MCULE-8103548307 [2,0,0,0,0,0|2,0,0]=4 43 B13R1.22 CCC(C)[C@H](N)C1=CC=CC(=C1)C MCULE-4701116130 [2,0,0,0,0,0|2,0,0]=4 44 B13R1.22 CCC(C)[C@H](N)C1=CC=CC(=C1)C MCULE-5356817344 [2,0,0,0,0,0|2,0,0]=4 45 B13R1.22 CCC(C)[C@H](N)C1=CC=CC(=C1)F MCULE-5429487972 [2,0,0,0,0,0|2,0,0]=4 46 B13R1.22 CCC(C)[C@H](N)C1=CC=CC(=C1)F MCULE-7134054668 [2,0,0,0,0,0|2,0,0]=4 47 B13R1.22 CCC(C)[C@H](N)C1=CC=CC(=C1)I MCULE-2702243499 [2,0,0,0,0,0|2,0,0]=4 48 B13R1.22 CCC(C)[C@H](N)C1=CC=CC(=C1)I MCULE-5370907786 [2,0,0,0,0,0|2,0,0]=4 49 B13R1.22 CCC(N)C(C)C1=CC=CC(=C1)Br MCULE-7596858555 [2,0,0,0,0,0|2,0,0]=4 50 B13R1.22 CC[C@@H](O)[C@@H](N)C1=CC(=CC=C1)O MCULE-1535868205 [2,0,0,0,0,0|2,0,0]=4 51 B13R1.22 CC[C@@H](O)[C@@H](N)C1=CC(=CC=C1)O MCULE-3423976656 [2,0,0,0,0,0|2,0,0]=4 52 B13R1.22 CC[C@H](O)[C@H](N)C1=CC(=CC=C1)O MCULE-5500764529 [2,0,0,0,0,0|2,0,0]=4 53 B13R1.22 CC[C@H](O)[C@H](N)C1=CC(=CC=C1)O MCULE-8208602737 [2,0,0,0,0,0|2,0,0]=4 54 B13R1.22 CNC(C)C(O)C1=CC=CC(=C1)O MCULE-2569967986 [2,0,0,0,0,0|1,0,0]=3 55 B13R1.532 CCC(C)C(CO)C1=CC=CC=C1 MCULE-5356854514 [2,0,0,0,0,0|1,0,0]=3 56 B13R1.532 CN[C@@H](C)[C@H](NC)C1=CC=CC=C1 MCULE-4651198591 [2,0,0,0,0,0|1,0,0]=3 57 B13R1.716 COC(C1=CC(=CC=C1)N)C(C)C MCULE-7773846284 [2,0,0,0,0,0|2,0,0]=4 58 B15R1.3827 CCC(CC(=O)OC)C1=CC=CC(=C1)O MCULE-7805974745 [1,1,0,0,0,0|1,0,1]=4 59 B17R1.6242 CC=C(C1=CC=CC(=C1)OC)C(C)CN(C)C MCULE-2010963627 [0,2,0,0,0,0|0,0,2]=4 60 B17R1.6242 CCC(C1=CC(=CC=C1)OC)C(C)CN(C)C MCULE-5944588272 [0,2,0,0,0,0|0,0,0]=2 61 B17R1.6242 CCC(C1=CC=CC(=C1)OC)C(C)CN(C)C MCULE-8952814871 [0,2,0,0,0,0|0,0,0]=2 62 B17R1.6242 CC[C@@H](C1=CC(=CC=C1)OC)[C@@H](C)CN(C)C MCULE-2637198807 [0,2,0,0,0,0|0,0,0]=2 63 B17R1.6242 CC[C@@H](C1=CC(=CC=C1)OC)[C@@H](C)CN(C)C MCULE-4068021311 [0,2,0,0,0,0|0,0,0]=2 64 B17R1.6242 CC[C@@H](C1=CC=CC(=C1)OC)[C@@H](C)CN(C)C MCULE-4918390081 [0,2,0,0,0,0|0,0,0]=2 65 B17R1.6242 CC[C@@H](C1=CC=CC(=C1)OC)[C@@H](C)CN(C)C MCULE-8376092058 [0,2,0,0,0,0|0,0,0]=2 66 B15R2.28 CN1CCC(CC1)C2=CC(=CC=C2)N MCULE-8240897358 [1,0,0,1,0,0|1,0,0]=3 67 B15R2.28 CN1CCC(CC1)C2=CC(=CC=C2)O MCULE-8939203803 [1,0,0,1,0,0|0,0,0]=2 68 B15R2.28 CN1CCC(CC1)C2=CC=CC(=C2)Br MCULE-2037105294 [1,0,0,1,0,0|1,0,0]=3 69 B15R2.28 CN1CCC(CC1)C2=CC=CC(=N2)Br MCULE-9682633642 [1,0,0,1,0,0|2,0,0]=4 70 B15R2.28 CN1CCC(CC1)C2=CC=NC(=C2)Cl MCULE-5679774332 [1,0,0,1,0,0|2,0,0]=4 71 B15R2.28 CN1CCC(CC1)C2=CC=NC(=C2)Cl MCULE-7669267227 [1,0,0,1,0,0|2,0,0]=4 72 B15R2.28 CN1CCN(CC1)C2=CC(=CC=C2)N MCULE-5487941180 [1,0,0,1,0,0|2,0,0]=4 73 B15R2.28 CN1CCN(CC1)C2=CC(=CC=C2)O MCULE-1735255957 [1,0,0,1,0,0|1,0,0]=3 74 B15R2.28 CN1CCN(CC1)C2=CC=CC(=C2)Br MCULE-9844416986 [1,0,0,1,0,0|2,0,0]=4 75 B15R2.28 CN1CCN(CC1)C2=CC=CC(=C2)F MCULE-7431733338 [1,0,0,1,0,0|2,0,0]=4 76 B15R2.28 CN1CCN(CC1)C2=CC=CC(=C2)O MCULE-4430719803 [1,0,0,1,0,0|1,0,0]=3 77 B15R2.332 CC1=CC=CC(=C1)C2CCCCC2C MCULE-5321399880 [1,0,0,1,0,0|2,0,0]=4 78 B15R2.332 CC1=CC=CC(=C1)N2CCNCC2C MCULE-3298372029 [1,0,0,1,0,0|2,0,0]=4 79 B15R2.4134 OCC1(CCNC1)C2=CC(=CC=C2)F MCULE-2605812784 [1,0,0,1,0,0|2,0,0]=4 80 B15R2.7124 ClC1=CC(=CC=C1)C2CCNCCO2 MCULE-3177355211 [1,0,0,1,0,0|2,0,0]=4 81 B15R2.7124 NC1=CC(=CC=C1)N2CCCNCC2 MCULE-2484276866 [1,0,0,1,0,0|2,0,0]=4 82 B15R2.7124 OC1=CC(=CC=C1)N2CCCNCC2 MCULE-2955306948 [1,0,0,1,0,0|1,0,0]=3 83 B15R2.1108 N[C@@H](C1=CC(=CC=C1)O)C2CCCC2 MCULE-7568021955 [1,0,0,1,0,0|2,0,0]=4 84 B15R2.1108 N[C@@H](C1=CC(=CC=C1)O)C2CCCC2 MCULE-8599992392 [1,0,0,1,0,0|2,0,0]=4 85 B15R2.1108 N[C@H](C1=CC(=CC=C1)O)C2CCCC2 MCULE-7676117550 [1,0,0,1,0,0|2,0,0]=4 86 B15R2.1108 N[C@H](C1=CC(=CC=C1)O)C2CCCC2 MCULE-8584869337 [1,0,0,1,0,0|2,0,0]=4 87 B15R2.54 NC1CCCCCC1C2=CC=CC=C2 MCULE-4680064165 [1,0,0,1,0,0|2,0,0]=4 88 B15R2.131 CCC(C1=CC=CC=C1)C2CCCN2 MCULE-5441835176 [1,0,0,1,0,0|2,0,0]=4 89 B15R2.131 CCC(C1=CC=CC=C1)C2CCCN2 MCULE-9024385147 [1,0,0,1,0,0|2,0,0]=4 90 B15R2.131 NCC(C1=CC=CC=C1)C2CCCC2 MCULE-3088720054 [1,0,0,1,0,0|2,0,0]=4 91 B15R2.131 NCC(C1=CC=CC=C1)C2CCCC2 MCULE-4837088789 [1,0,0,1,0,0|2,0,0]=4 92 B15R2.541 CC1CNCC(N1C2=CC=CC=C2)C MCULE-3928724838 [1,0,0,1,0,0|1,0,0]=3 93 B17R2.153 CCCN1CCCC(C1)C2=CC(=CC=C2)O MCULE-3651128133 [0,0,0,1,0,1|2,0,0]=4 94 B17R2.153 CCCN1CCCC(C1)C2=CC(=CC=C2)O MCULE-9942876938 [0,0,0,1,0,1|2,0,0]=4 95 B17R2.153 CCCN1CCC[C@@H](C1)C2=CC(=CC=C2)O MCULE-6242612611 [0,0,0,1,0,1|2,0,0]=4 96 B17R2.153 CCCN1CCC[C@@H](C1)C2=CC(=CC=C2)O MCULE-7756209291 [0,0,0,1,0,1|2,0,0]=4 97 B17R2.153 CCCN1CCC[C@@H](C1)C2=CC=CC(=C2)O MCULE-2388324376 [0,0,0,1,0,1|2,0,0]=4 98 B17R2.288 CC[C@@H](C1=CC(=CC=C1)Cl)N2CCNCC2 MCULE-3809300975 [0,1,0,1,0,0|2,0,0]=4 99 B17R2.288 CC[C@@H](C1=CC(=CC=C1)Cl)N2CCNCC2 MCULE-8150638090 [0,1,0,1,0,0|2,0,0]=4 100 B17R2.288 CC[C@@H](C1=CC(=CC=C1)O)N2CCNCC2 MCULE-7330230719 [0,1,0,1,0,0|1,0,0]=3 101 B17R2.288 CC[C@@H](C1=CC(=CC=C1)O)N2CCNCC2 MCULE-7721008950 [0,1,0,1,0,0|1,0,0]=3 102 B17R2.288 CC[C@@H](C1=CC=CC(=C1)Br)N2CCNCC2 MCULE-1403449457 [0,1,0,1,0,0|2,0,0]=4 103 B17R2.288 CC[C@@H](C1=CC=CC(=C1)Br)N2CCNCC2 MCULE-4591810592 [0,1,0,1,0,0|2,0,0]=4 104 B17R2.288 CC[C@@H](C1=CC=CC(=C1)C)N2CCNCC2 MCULE-4099435498 [0,1,0,1,0,0|2,0,0]=4 105 B17R2.288 CC[C@@H](C1=CC=CC(=C1)C)N2CCNCC2 MCULE-6987461314 [0,1,0,1,0,0|2,0,0]=4 106 B17R2.288 CC[C@@H](C1=CC=CC(=C1)F)N2CCNCC2 MCULE-5755188529 [0,1,0,1,0,0|2,0,0]=4 107 B17R2.288 CC[C@@H](C1=CC=CC(=C1)F)N2CCNCC2 MCULE-6624722655 [0,1,0,1,0,0|2,0,0]=4 108 B17R2.288 CC[C@@H](C1=CC=CC(=C1)F)N2CCNCC2 MCULE-7891642885 [0,1,0,1,0,0|2,0,0]=4 109 B17R2.288 CC[C@@H](C1=CC=CC(=C1)I)N2CCNCC2 MCULE-2949353400 [0,1,0,1,0,0|2,0,0]=4 110 B17R2.288 CC[C@@H](C1=CC=CC(=C1)I)N2CCNCC2 MCULE-4220068139 [0,1,0,1,0,0|2,0,0]=4 111 B17R2.288 CC[C@H](C1=CC(=CC=C1)Cl)N2CCNCC2 MCULE-7878392359 [0,1,0,1,0,0|2,0,0]=4 112 B17R2.288 CC[C@H](C1=CC(=CC=C1)Cl)N2CCNCC2 MCULE-8079594554 [0,1,0,1,0,0|2,0,0]=4 113 B17R2.288 CC[C@H](C1=CC(=CC=C1)O)N2CCNCC2 MCULE-5344605425 [0,1,0,1,0,0|1,0,0]=3 114 B17R2.288 CC[C@H](C1=CC(=CC=C1)O)N2CCNCC2 MCULE-7678705604 [0,1,0,1,0,0|1,0,0]=3 115 B17R2.288 CC[C@H](C1=CC=CC(=C1)Br)N2CCNCC2 MCULE-7032870209 [0,1,0,1,0,0|2,0,0]=4 116 B17R2.288 CC[C@H](C1=CC=CC(=C1)Br)N2CCNCC2 MCULE-7239692677 [0,1,0,1,0,0|2,0,0]=4 117 B17R2.288 CC[C@H](C1=CC=CC(=C1)C)N2CCNCC2 MCULE-5330798555 [0,1,0,1,0,0|2,0,0]=4 118 B17R2.288 CC[C@H](C1=CC=CC(=C1)C)N2CCNCC2 MCULE-5591524273 [0,1,0,1,0,0|2,0,0]=4 119 B17R2.288 CC[C@H](C1=CC=CC(=C1)F)N2CCNCC2 MCULE-3984661960 [0,1,0,1,0,0|2,0,0]=4 120 B17R2.288 CC[C@H](C1=CC=CC(=C1)F)N2CCNCC2 MCULE-6992044643 [0,1,0,1,0,0|2,0,0]=4 121 B17R2.288 CC[C@H](C1=CC=CC(=C1)F)N2CCNCC2 MCULE-7669684552 [0,1,0,1,0,0|2,0,0]=4 122 B17R2.288 CC[C@H](C1=CC=CC(=C1)I)N2CCNCC2 MCULE-7866955726 [0,1,0,1,0,0|2,0,0]=4 123 B17R2.288 CC[C@H](C1=CC=CC(=C1)I)N2CCNCC2 MCULE-8880798883 [0,1,0,1,0,0|2,0,0]=4 124 B17R2.288 OC1=CC=CC(=C1)[C@@H](CF)N2CCNCC2 MCULE-2933158652 [0,1,0,1,0,0|2,0,0]=4 125 B17R2.288 OC1=CC=CC(=C1)[C@@H](CF)N2CCNCC2 MCULE-3943960602 [0,1,0,1,0,0|2,0,0]=4 126 B17R2.288 OC1=CC=CC(=C1)[C@@H](CF)N2CCNCC2 MCULE-5621358856 [0,1,0,1,0,0|2,0,0]=4 127 B17R2.288 OC1=CC=CC(=C1)[C@H](CF)N2CCNCC2 MCULE-1817641403 [0,1,0,1,0,0|2,0,0]=4 128 B17R2.288 OC1=CC=CC(=C1)[C@H](CF)N2CCNCC2 MCULE-1917336782 [0,1,0,1,0,0|2,0,0]=4 129 B17R2.288 OC1=CC=CC(=C1)[C@H](CF)N2CCNCC2 MCULE-2404440064 [0,1,0,1,0,0|2,0,0]=4 130 B17R2.288 OC[C@@H](C1=CC(=CC=C1)O)N2CCNCC2 MCULE-3767504052 [0,1,0,1,0,0|2,0,0]=4 131 B17R2.288 OC[C@@H](C1=CC(=CC=C1)O)N2CCNCC2 MCULE-9809302488 [0,1,0,1,0,0|2,0,0]=4 132 B17R2.288 OC[C@H](C1=CC(=CC=C1)O)N2CCNCC2 MCULE-2119281131 [0,1,0,1,0,0|2,0,0]=4 133 B17R2.288 OC[C@H](C1=CC(=CC=C1)O)N2CCNCC2 MCULE-8728003609 [0,1,0,1,0,0|2,0,0]=4 134 B17R2.3359 CN1CCN(C(C1)(C)C)C2=CC=CC(=C2)N MCULE-2812197494 [0,1,0,1,0,0|2,0,0]=4 135 B17R2.150257 C[C@H]1CN(CC[C@@]1(C)C2=CC=CC(=C2)O)C MCULE-2226190876 [0,1,0,1,0,0|0,0,0]=2 136 B17R2.150257 C[C@H]1CN(CC[C@@]1(C)C2=CC=CC(=C2)O)C MCULE-6123794061 [0,1,0,1,0,0|0,0,0]=2