0 B16R2.42567 CCC1=CC2=C(C=C1)NC=C2CC(=O)O MCULE-6001520163 [0,0,0,0,0,0|4,0,0]=4 1 B16R2.42567 CN(C)CC1=CNC2=C1C=C(C=C2)C#N MCULE-5459530809 [0,0,0,0,0,0|2,0,0]=2 2 B16R2.42567 COC1=CC2=C(C=C1)NC=C2CC(=O)N MCULE-3391234212 [0,0,0,0,0,0|3,0,0]=3 3 B16R2.42567 COC1=CC2=C(C=C1)NC=C2CC(=O)O MCULE-9997753194 [0,0,0,0,0,0|3,0,0]=3 4 B16R2.42567 COC1=CC2=C(C=C1)NC=C2CN(C)C MCULE-4301474786 [0,0,0,0,0,0|0,0,0]=0 5 B16R2.42567 COC1=CC2=C(C=C1)NN=C2CC(=O)O MCULE-3956463264 [0,0,0,0,0,0|4,0,0]=4 6 B16R2.42567 COC1=CC=C2NC=C(C2=C1)CC(C)N MCULE-9717144052 [0,0,0,0,0,0|2,0,0]=2 7 B16R2.42567 COC1=CC=C2OC=C(C2=C1)CC(=O)O MCULE-4975434460 [0,0,0,0,0,0|4,0,0]=4 8 B15R2.9410 CC(=O)CC1=CNC2=CC=C(C=C12)Cl MCULE-9615898504 [1,0,0,0,0,0|3,0,0]=4 9 B15R2.9410 CC(=O)OC1=CNC2=C1C=C(C=C2)C MCULE-7721591080 [1,0,0,0,0,0|3,0,0]=4 10 B15R2.9410 CC(C)CC1=CNC2=C1C=C(C=C2)F MCULE-1453913066 [1,0,0,0,0,0|2,0,0]=3 11 B15R2.9410 CC(N)CC1=CNC2=C1C=C(C=C2)Cl MCULE-5875373928 [1,0,0,0,0,0|3,0,0]=4 12 B15R2.9410 CC(N)CC1=CNC2=C1C=C(C=C2)Cl MCULE-9955720207 [1,0,0,0,0,0|3,0,0]=4 13 B15R2.9410 CC(N)CC1=CNC2=C1C=C(C=C2)F MCULE-2837435802 [1,0,0,0,0,0|3,0,0]=4 14 B15R2.9410 CC(N)CC1=CNC2=C1C=C(C=C2)F MCULE-8954408176 [1,0,0,0,0,0|3,0,0]=4 15 B15R2.9410 CC(N)CC1=CNC2=C1C=C(C=C2)O MCULE-7600122348 [1,0,0,0,0,0|2,0,0]=3 16 B15R2.9410 CC(N)CC1=CNC2=C1C=C(C=C2)O MCULE-7768148728 [1,0,0,0,0,0|2,0,0]=3 17 B15R2.9410 CC(N)CC1=CNC2=CC=C(C=C12)O MCULE-2734017010 [1,0,0,0,0,0|2,0,0]=3 18 B15R2.9410 CC1=CC2=C(C=C1)NC=C2CC(=O)N MCULE-9176085989 [1,0,0,0,0,0|3,0,0]=4 19 B15R2.9410 CC1=CC2=C(C=C1)NC=C2CC(=O)O MCULE-1757765395 [1,0,0,0,0,0|3,0,0]=4 20 B15R2.9410 CC1=CC2=C(C=C1)NC=C2CC(C)N MCULE-4929700306 [1,0,0,0,0,0|2,0,0]=3 21 B15R2.9410 CC1=CC=C2NC=C(C2=C1)CN(C)C MCULE-1239304316 [1,0,0,0,0,0|0,0,0]=1 22 B15R2.9410 CC1=CN2C(=CN=C2C=C1)CN(C)C MCULE-8827475975 [1,0,0,0,0,0|1,0,1]=3 23 B15R2.9410 CN(C)CC1=CN=C2N1C=C(C=C2)Br MCULE-1224594450 [1,0,0,0,0,0|2,0,1]=4 24 B15R2.9410 CN(C)CC1=CN=C2N1C=C(C=C2)Br MCULE-7829505384 [1,0,0,0,0,0|2,0,1]=4 25 B15R2.9410 CN(C)CC1=CN=C2N1C=C(C=C2)Cl MCULE-5329591641 [1,0,0,0,0,0|2,0,1]=4 26 B15R2.9410 CN(C)CC1=CN=C2N1C=C(C=C2)Cl MCULE-9070474605 [1,0,0,0,0,0|2,0,1]=4 27 B15R2.9410 CN(C)CC1=CNC2=C1C=C(C=C2)Br MCULE-7969751778 [1,0,0,0,0,0|1,0,0]=2 28 B15R2.9410 CN(C)CC1=CNC2=C1C=C(C=C2)Cl MCULE-6526064946 [1,0,0,0,0,0|1,0,0]=2 29 B15R2.9410 CN(C)CC1=CNC2=C1C=C(C=C2)N MCULE-8554220221 [1,0,0,0,0,0|1,0,0]=2 30 B15R2.9410 CN(C)CC1=CNC2=CC=C(C=C12)F MCULE-1783162847 [1,0,0,0,0,0|1,0,0]=2 31 B15R2.9410 CN(C)CC1=CNC2=NC=C(C=C12)Br MCULE-8524184964 [1,0,0,0,0,0|2,0,0]=3 32 B15R2.9410 C[C@@H](N)CC1=CNC2=CC=C(C=C12)F MCULE-7398131426 [1,0,0,0,0,0|3,0,0]=4 33 B15R2.9410 C[C@@H](N)CC1=CNC2=CC=C(C=C12)O MCULE-2319511262 [1,0,0,0,0,0|2,0,0]=3 34 B15R2.9410 C[C@@H](N)CC1=CNC2=CC=C(C=C12)O MCULE-5638747243 [1,0,0,0,0,0|2,0,0]=3 35 B15R2.9410 O=C(O)CC1=CNC2=CC=C(C=C12)O MCULE-5193831459 [1,0,0,0,0,0|3,0,0]=4 36 B15R2.9410 O=C([O-])CC1=CNC2=C1C=C(C=C2)O MCULE-2088824557 [1,0,0,0,0,0|3,0,0]=4 37 B15R2.54412 CCC1=CC2=C(C=C1)NC=C2CCN MCULE-5726784334 [1,0,0,0,0,0|3,0,0]=4 38 B15R2.54412 CCC1=CC2=C(C=C1)NC=C2CCN MCULE-6781556401 [1,0,0,0,0,0|3,0,0]=4 39 B15R2.54412 CNCC1=CNC2=C1C=C(C=C2)OC MCULE-1712832438 [1,0,0,0,0,0|0,0,0]=1 40 B15R2.54412 CNCC1=CNC2=C1C=C(C=C2)OC MCULE-8923729584 [1,0,0,0,0,0|0,0,0]=1 41 B15R2.54412 COC1=CC2=C(C=C1)CC=C2CCN MCULE-1993241198 [1,0,0,0,0,0|3,0,0]=4 42 B15R2.54412 COC1=CC2=C(C=C1)CC=C2CCN MCULE-7285259767 [1,0,0,0,0,0|3,0,0]=4 43 B15R2.54412 COC1=CC2=C(C=C1)NC=C2CCN MCULE-1605989886 [1,0,0,0,0,0|2,0,0]=3 44 B15R2.54412 COC1=CC2=C(C=C1)NC=C2CCO MCULE-1066911922 [1,0,0,0,0,0|2,0,0]=3 45 B15R2.54412 COC1=CC2=C(C=C1)NC=C2CC[NH3+] MCULE-7366022899 [1,0,0,0,0,0|2,0,0]=3 46 B15R2.54412 COC1=CC=C2NC=C(C2=C1)C=NO MCULE-8825350022 [1,0,0,0,0,0|1,0,2]=4 47 B15R2.54412 COC1=CC=C2NC=C(C2=C1)CC#N MCULE-3095608504 [1,0,0,0,0,0|2,0,0]=3 48 B15R2.54412 COC1=CC=C2NC=C(C2=C1)CCN MCULE-6141263456 [1,0,0,0,0,0|2,0,0]=3 49 B17R2.11798 COC1=CC2=C(C=C1)NC(=C2CC(=O)N)C MCULE-4934848359 [0,1,0,0,0,0|3,0,0]=4 50 B17R2.11798 COC1=CC=C2NC(=C(C2=C1)CC(=O)O)C MCULE-1767701374 [0,1,0,0,0,0|3,0,0]=4 51 B17R2.27792 CCOC1=CC=C2NC=C(C2=C1)CC(=O)O MCULE-6446305960 [0,1,0,0,0,0|3,0,0]=4 52 B17R2.73215 CCC(N)CC1=CNC2=C1C=C(C=C2)OC MCULE-2412259414 [0,1,0,0,0,0|2,0,0]=3 53 B17R2.73215 COC(=O)CC1=CNC2=C1C=C(C=C2)OC MCULE-1471443127 [0,1,0,0,0,0|2,0,0]=3 54 B17R2.73215 COC(=O)CC1=NNC2=C1C=C(C=C2)OC MCULE-9811263168 [0,1,0,0,0,0|3,0,0]=4 55 B17R2.73215 COC1=CC2=C(C=C1)NC=C2CC(=O)NN MCULE-2249901981 [0,1,0,0,0,0|3,0,0]=4 56 B17R2.73241 COC1=CC=C2NC=C(C2=C1)C(=O)C(C)Br MCULE-9340895363 [0,1,0,0,0,0|2,0,1]=4 57 B17R2.73241 COC1=CC=C2NC=C(C2=C1)[C@@H](N)C(F)F MCULE-1829228409 [0,1,0,0,0,0|3,0,0]=4 58 B17R2.73241 COC1=CC=C2NC=C(C2=C1)[C@@H](N)C(F)F MCULE-8896119405 [0,1,0,0,0,0|3,0,0]=4 59 B17R2.73241 COC1=CC=C2NC=C(C2=C1)[C@H](N)C(F)F MCULE-2144336198 [0,1,0,0,0,0|3,0,0]=4 60 B17R2.73241 COC1=CC=C2NC=C(C2=C1)[C@H](N)C(F)F MCULE-9939540697 [0,1,0,0,0,0|3,0,0]=4 61 B17R2.429181 COC1=CC2=C(C=C1)N(C=C2CC(C)N)C MCULE-9098130577 [0,1,0,0,0,0|2,0,0]=3 62 B17R2.429181 COC1=CC=C2C(=C1)C(=CN2C)CC(=O)O MCULE-2062937113 [0,1,0,0,0,0|3,0,0]=4 63 B17R2.429181 COC1=CC=C2C(=C1)C(=CN2C)CC(C)N MCULE-6291245193 [0,1,0,0,0,0|2,0,0]=3 64 B17R2.1146278 CC(=O)C1=CC2=C(C=C1)NC=C2CC(C)N MCULE-3636383993 [0,1,0,0,0,0|3,0,0]=4 65 B17R2.1146278 CN(C)CC1=CNC2=C1C=C(C=C2)N(=O)=O MCULE-3240056649 [0,1,0,0,0,0|2,0,0]=3 66 B17R2.1146278 CN(C)CC1=CNC2=CC=C(C=C12)C(=O)O MCULE-1169184305 [0,1,0,0,0,0|2,0,0]=3 67 B17R2.1146278 CN(C)CC1=CNC2=CC=C(C=C12)C(=O)O MCULE-8478950827 [0,1,0,0,0,0|2,0,0]=3 68 B15R1.4 COC1=CC=C(C=C1)CNCCN(C)C MCULE-9273901455 [0,0,1,0,0,0|2,0,1]=4 69 B15R1.1863 COC1=CC=C(C(=C1)C(=O)CC(C)C)Cl MCULE-6500739427 [0,0,1,0,0,0|3,0,0]=4 70 B17R3.94568 COC1=CC2=C(C=C1)NC3=C2CC(C3)N MCULE-2320865798 [0,0,0,1,0,0|2,0,0]=3 71 B17R3.94568 COC1=CC2=C(C=C1)NC3=C2N=C(S3)C MCULE-2216087633 [0,0,0,1,0,0|3,0,0]=4 72 B15R2.3137 COC1=CC2=C(C=C1)NC=C2C(=O)O MCULE-8485866109 [0,0,0,0,1,0|3,0,0]=4 73 B15R2.3137 COC1=CC2=C(C=C1)NC=C2[C@@H](C)N MCULE-8043457343 [0,0,0,0,1,0|2,0,0]=3 74 B15R2.3137 COC1=CC2=C(C=C1)OC=C2C(=O)C MCULE-9681383458 [0,0,0,0,1,0|3,0,0]=4 75 B15R2.3137 COC1=CC2=C(N=C1)NC=C2C(=O)C MCULE-3210771052 [0,0,0,0,1,0|3,0,0]=4 76 B15R2.3137 COC1=CC=C2NC=C(C2=C1)C(=O)C MCULE-1242008294 [0,0,0,0,1,0|2,0,0]=3 77 B15R2.3137 COC1=CC=C2NC=C(C2=C1)[C@@H](C)N MCULE-6922760648 [0,0,0,0,1,0|2,0,0]=3 78 B15R2.3137 COC1=CC=C2NC=C(C2=C1)[C@H](C)N MCULE-4782692324 [0,0,0,0,1,0|2,0,0]=3 79 B15R2.3137 COC1=CC=C2NC=C(C2=C1)[C@H](C)N MCULE-6683224257 [0,0,0,0,1,0|2,0,0]=3 80 B15R2.3137 COC1=CC=C2NC=C(C2=N1)C(=O)C MCULE-3019487996 [0,0,0,0,1,0|3,0,0]=4 81 B15R2.3137 COC1=CC=C2OC=C(C2=C1)C(C)N MCULE-4493101499 [0,0,0,0,1,0|3,0,0]=4 82 B15R2.3137 COC1=CC=C2OC=C(C2=C1)C(C)N MCULE-5930149110 [0,0,0,0,1,0|3,0,0]=4 83 B17R2.73242 COC1=CC2=C(C=C1)NC=C2CCC(=O)N MCULE-2995423359 [0,0,0,0,0,1|3,0,0]=4 84 B17R2.73242 COC1=CC2=C(C=C1)NC=C2CCN(C)C MCULE-1161800007 [0,0,0,0,0,1|0,0,0]=1 85 B17R2.73242 COC1=CC=C2NC=C(C2=C1)CCC(=O)O MCULE-1797370196 [0,0,0,0,0,1|3,0,0]=4 86 B14R1.74 COC1=CC=CC(=C1)C(=O)CC(C)C MCULE-7988814405 [1,0,1,0,0,0|2,0,0]=4 87 B14R1.74 COC1=CC=CC(=C1)[C@@H](N)CC(C)C MCULE-2420857689 [1,0,1,0,0,0|1,0,1]=4 88 B14R1.74 COC1=CC=CC(=C1)[C@@H](N)CC(C)C MCULE-7789462826 [1,0,1,0,0,0|1,0,1]=4 89 B14R1.74 COC1=CC=CC(=C1)[C@H](N)CC(C)C MCULE-1098514528 [1,0,1,0,0,0|1,0,1]=4 90 B14R1.74 COC1=CC=CC(=C1)[C@H](N)CC(C)C MCULE-7371859349 [1,0,1,0,0,0|1,0,1]=4 91 B14R2.2 CC(=O)CC1=CNC2=CC=CC=C12 MCULE-4629595835 [2,0,0,0,0,0|2,0,0]=4 92 B14R2.2 CC(N)CC1=CNC2=CC=CC=C12 MCULE-6417482430 [2,0,0,0,0,0|2,0,0]=4 93 B14R2.2 CC(O)CC1=CNC2=CC=CC=C12 MCULE-4095237423 [2,0,0,0,0,0|2,0,0]=4 94 B14R2.2 CC([NH3+])CC1=CNC2=C1C=CC=C2 MCULE-6948366681 [2,0,0,0,0,0|2,0,0]=4 95 B14R2.2 CN(C)CC1=CN=C2N1C=CC=C2 MCULE-5264516838 [2,0,0,0,0,0|1,0,1]=4 96 B14R2.2 CN(C)CC1=CNC2=C1C=CC=C2 MCULE-6015845238 [2,0,0,0,0,0|0,0,0]=2 97 B14R2.2 CN(C)CC1=CNC2=C1NC=CN2 MCULE-4908356684 [2,0,0,0,0,0|2,0,0]=4 98 B14R2.2 CN(C)CC1=CNC2=CC=CC=C12 MCULE-3643815953 [2,0,0,0,0,0|0,0,0]=2 99 B14R2.2 CN(C)CC1=CNC2=NC=CC=C12 MCULE-5826370064 [2,0,0,0,0,0|1,0,0]=3 100 B14R2.2 CN(C)CC1=NNC2=C1C=CC=C2 MCULE-7229788604 [2,0,0,0,0,0|1,0,0]=3 101 B14R2.2 CN(C)CN1C=CC2=CC=CC=C12 MCULE-6940369354 [2,0,0,0,0,0|2,0,0]=4 102 B14R2.2 C[C@@H](N)CC1=CNC2=C1C=CC=C2 MCULE-8293811191 [2,0,0,0,0,0|2,0,0]=4 103 B14R2.6419 CC1=CC2=C(C=C1)NC=C2CC#N MCULE-4478452296 [2,0,0,0,0,0|2,0,0]=4 104 B14R2.6419 CC1=CC=C2NC=C(C2=C1)CCN MCULE-5312670019 [2,0,0,0,0,0|2,0,0]=4 105 B14R2.6419 CC1=CC=C2NC=C(C2=C1)CC[NH3+] MCULE-3350102887 [2,0,0,0,0,0|2,0,0]=4 106 B14R2.6419 CNCC1=CNC2=C1C=C(C=C2)C MCULE-2513983186 [2,0,0,0,0,0|0,0,0]=2 107 B14R2.6419 CNCC1=CNC2=C1C=C(C=C2)C MCULE-5405537704 [2,0,0,0,0,0|0,0,0]=2 108 B14R2.6419 CNCC1=CNC2=C1C=C(C=C2)C MCULE-7310283504 [2,0,0,0,0,0|0,0,0]=2 109 B14R2.6419 CNCC1=CNC2=C1C=C(C=C2)F MCULE-9962013314 [2,0,0,0,0,0|1,0,0]=3 110 B14R2.6419 N#CCC1=CNC2=CC=C(C=C12)O MCULE-8562461389 [2,0,0,0,0,0|2,0,0]=4 111 B14R2.6419 NCCC1=CNC2=C1C=C(C=C2)O MCULE-1409159252 [2,0,0,0,0,0|2,0,0]=4 112 B14R2.6419 NCCC1=CNC2=C1C=C(C=C2)O MCULE-8194058321 [2,0,0,0,0,0|2,0,0]=4 113 B14R2.6419 NCCC1=CNC2=C1C=C(C=C2)O MCULE-8284106623 [2,0,0,0,0,0|2,0,0]=4 114 B14R2.6419 NCCC1=CNC2=C1C=C(C=C2)O MCULE-8788459983 [2,0,0,0,0,0|2,0,0]=4 115 B14R2.6419 OCCC1=CNC2=CC=C(C=C12)O MCULE-7666892935 [2,0,0,0,0,0|2,0,0]=4 116 B14R2.6419 [NH3+]CCC1=CNC2=C1C=C(C=C2)O MCULE-9704202042 [2,0,0,0,0,0|2,0,0]=4 117 B14R2.2497 CCC1=CNC2=C1C=C(C=C2)OC MCULE-7512052589 [2,0,0,0,0,0|0,0,0]=2 118 B14R2.2497 CNC1=C2C=C(C=CC2=NN1)OC MCULE-4932093431 [2,0,0,0,0,0|1,0,1]=4 119 B14R2.2497 COC1=CC2=C(C=C1)NC=C2C#N MCULE-8035815128 [2,0,0,0,0,0|0,0,2]=4 120 B14R2.2497 COC1=CC2=C(C=C1)NC=C2C=O MCULE-3545203547 [2,0,0,0,0,0|1,0,1]=4 121 B14R2.2497 COC1=CC2=C(C=C1)NC=C2CN MCULE-7207562946 [2,0,0,0,0,0|0,0,0]=2 122 B14R2.2497 COC1=CC2=C(C=C1)NC=C2CO MCULE-6650975359 [2,0,0,0,0,0|1,0,0]=3 123 B14R2.2497 COC1=CC2=C(C=C1)NN=C2CN MCULE-4262684096 [2,0,0,0,0,0|1,0,0]=3 124 B14R2.2497 COC1=CC2=C(C=C1)NN=C2CN MCULE-7020884767 [2,0,0,0,0,0|1,0,0]=3 125 B14R2.2497 COC1=CC2=C(C=C1)NN=C2CO MCULE-1665983139 [2,0,0,0,0,0|2,0,0]=4 126 B14R2.2497 COC1=CC=C2NC=C(C2=C1)CN MCULE-7303356122 [2,0,0,0,0,0|0,0,0]=2 127 B16R1.4 COC1=CC=C(C=C1)NC(=O)NCC(C)C MCULE-4365065720 [0,1,1,0,0,0|2,0,0]=4 128 B16R1.4 COC1=CC=C(C=C1)NC(=S)/N=C/N(C)C MCULE-9555721077 [0,1,1,0,0,0|1,0,1]=4 129 B16R1.4 COC1=CC=C(C=C1)NC(=S)N=CN(C)C MCULE-8310980234 [0,1,1,0,0,0|1,0,1]=4 130 B16R1.4 COC1=CC=C(C=C1)NC(=S)NCC(C)C MCULE-7620631979 [0,1,1,0,0,0|2,0,0]=4 131 B16R1.4 COC1=CC=C(C=C1)OC(=O)C=CN(C)C MCULE-2351779992 [0,1,1,0,0,0|1,0,1]=4 132 B16R2.12021 CN(C)/N=C/1\C(=O)NC2=C1C=C(C=C2)Br MCULE-6531369807 [1,1,0,0,0,0|2,0,0]=4 133 B16R2.12021 CN(C)C=C1C(=O)NC2=CC=C(C=C12)Cl MCULE-9320107878 [1,1,0,0,0,0|1,0,1]=4 134 B16R2.13690 CN(C)CC1=CNC2=C1C=C(C(=C2)Cl)Cl MCULE-8055517970 [1,1,0,0,0,0|1,0,0]=3 135 B16R2.97889 CC1=CC=C2C(=C1)C(=CN2C)CC(C)N MCULE-5523270893 [1,1,0,0,0,0|2,0,0]=4 136 B16R2.97889 CC1=CC=C2C(=C1)C(=CN2C)CC(C)N MCULE-8266203759 [1,1,0,0,0,0|2,0,0]=4 137 B16R2.176359 COC(=O)CC1=CNC2=C1C=C(C=C2)C MCULE-7107797497 [1,1,0,0,0,0|2,0,0]=4 138 B16R2.176359 COC(=O)CC1=CNC2=C1C=C(C=C2)O MCULE-4350899608 [1,1,0,0,0,0|2,0,0]=4 139 B16R2.17105 CCOC1=CC=C2NC=C(C2=C1)CCO MCULE-2276786118 [1,1,0,0,0,0|2,0,0]=4 140 B16R2.42564 C=C[C@@H](N)C1=CNC2=CC=C(C=C12)OC MCULE-6531151755 [1,1,0,0,0,0|1,0,1]=4 141 B16R2.42564 C=C[C@@H](N)C1=CNC2=CC=C(C=C12)OC MCULE-9817834848 [1,1,0,0,0,0|1,0,1]=4 142 B16R2.42564 C=C[C@H](N)C1=CNC2=CC=C(C=C12)OC MCULE-3483780527 [1,1,0,0,0,0|1,0,1]=4 143 B16R2.42564 C=C[C@H](N)C1=CNC2=CC=C(C=C12)OC MCULE-3796066462 [1,1,0,0,0,0|1,0,1]=4 144 B16R2.42564 CC[C@@H](N)C1=CNC2=CC=C(C=C12)OC MCULE-2080515466 [1,1,0,0,0,0|1,0,0]=3 145 B16R2.42564 CC[C@@H](N)C1=CNC2=CC=C(C=C12)OC MCULE-6563577945 [1,1,0,0,0,0|1,0,0]=3 146 B16R2.42564 CC[C@H](N)C1=CNC2=CC=C(C=C12)OC MCULE-2568604678 [1,1,0,0,0,0|1,0,0]=3 147 B16R2.42564 CC[C@H](N)C1=CNC2=CC=C(C=C12)OC MCULE-5349790524 [1,1,0,0,0,0|1,0,0]=3 148 B16R2.42564 COC(=O)C1=CNC2=C1C=C(C=C2)OC MCULE-7226450037 [1,1,0,0,0,0|1,0,1]=4 149 B16R2.42564 COC1=CC=C2NC=C(C2=C1)[C@@H](N)CF MCULE-4366682184 [1,1,0,0,0,0|2,0,0]=4 150 B16R2.42564 COC1=CC=C2NC=C(C2=C1)[C@@H](N)CF MCULE-7012396806 [1,1,0,0,0,0|2,0,0]=4 151 B16R2.42564 COC1=CC=C2NC=C(C2=C1)[C@@H](N)CN MCULE-3575754981 [1,1,0,0,0,0|2,0,0]=4 152 B16R2.42564 COC1=CC=C2NC=C(C2=C1)[C@@H](N)CN MCULE-9908193947 [1,1,0,0,0,0|2,0,0]=4 153 B16R2.42564 COC1=CC=C2NC=C(C2=C1)[C@@H](N)CO MCULE-2690651765 [1,1,0,0,0,0|2,0,0]=4 154 B16R2.42564 COC1=CC=C2NC=C(C2=C1)[C@@H](N)CO MCULE-3879014163 [1,1,0,0,0,0|2,0,0]=4 155 B16R2.42564 COC1=CC=C2NC=C(C2=C1)[C@H](N)CF MCULE-5925137718 [1,1,0,0,0,0|2,0,0]=4 156 B16R2.42564 COC1=CC=C2NC=C(C2=C1)[C@H](N)CF MCULE-6631356200 [1,1,0,0,0,0|2,0,0]=4 157 B16R2.42564 COC1=CC=C2NC=C(C2=C1)[C@H](N)CN MCULE-9264762109 [1,1,0,0,0,0|2,0,0]=4 158 B16R2.42564 COC1=CC=C2NC=C(C2=C1)[C@H](N)CN MCULE-9338006594 [1,1,0,0,0,0|2,0,0]=4 159 B16R2.42564 COC1=CC=C2NC=C(C2=C1)[C@H](N)CO MCULE-8606286883 [1,1,0,0,0,0|2,0,0]=4 160 B16R2.42564 COC1=CC=C2NC=C(C2=C1)[C@H](N)CO MCULE-9673758210 [1,1,0,0,0,0|2,0,0]=4 161 B16R2.115382 COC1=CC2=C(C=C1)NC(=C2CCN)C MCULE-3182709490 [1,1,0,0,0,0|2,0,0]=4 162 B16R2.115382 COC1=CC2=C(C=C1)NC(=C2CCN)C MCULE-7560946735 [1,1,0,0,0,0|2,0,0]=4 163 B16R2.115382 COC1=CC=C2NC(=C(C2=C1)CC#N)C MCULE-9580657427 [1,1,0,0,0,0|2,0,0]=4 164 B16R2.115382 COC1=CC=C2NC(=C(C2=C1)CCN)C MCULE-6983558260 [1,1,0,0,0,0|2,0,0]=4 165 B16R2.163638 COC1=CC2=C(C=C1)NC=C2CCCN MCULE-2167200158 [1,1,0,0,0,0|1,0,0]=3 166 B16R2.7527 COC1=CC=C2NC(=C(C2=C1)C(=O)C)C MCULE-3866064002 [0,1,0,0,1,0|2,0,0]=4 167 B16R2.7527 COC1=CC=C2NC(=O)N(C2=C1)C(C)C MCULE-6292917912 [0,1,0,0,1,0|2,0,0]=4 168 B16R2.39438 COC1=CC=C2C(=C1)C(=CN2C)C(=O)C MCULE-3531170505 [0,1,0,0,1,0|2,0,0]=4 169 B18R2.862975 COC1=CC2=C(C=C1)NC(=O)C=C2OC(C)C MCULE-8069907911 [0,1,0,0,0,1|2,0,0]=4 170 B18R2.120969 C=C(C)C[C@@H](N)C1=CNC2=CC=C(C=C12)OC MCULE-3192966428 [0,1,0,0,0,1|1,0,1]=4 171 B18R2.120969 C=C(C)C[C@@H](N)C1=CNC2=CC=C(C=C12)OC MCULE-5506193077 [0,1,0,0,0,1|1,0,1]=4 172 B18R2.120969 C=C(C)C[C@H](N)C1=CNC2=CC=C(C=C12)OC MCULE-2671601746 [0,1,0,0,0,1|1,0,1]=4 173 B18R2.120969 C=C(C)C[C@H](N)C1=CNC2=CC=C(C=C12)OC MCULE-8691474763 [0,1,0,0,0,1|1,0,1]=4 174 B18R2.120969 COC1=CC2=C(C=C1)NC=C2C(=O)CN(C)C MCULE-8843853597 [0,1,0,0,0,1|0,0,0]=2 175 B18R2.120969 COC1=CC=C2NC=C(C2=C1)[C@@H](N)CC(C)C MCULE-8749450223 [0,1,0,0,0,1|1,0,0]=3 176 B18R2.120969 COC1=CC=C2NC=C(C2=C1)[C@@H](N)CC(C)C MCULE-8921805244 [0,1,0,0,0,1|1,0,0]=3 177 B18R2.120969 COC1=CC=C2NC=C(C2=C1)[C@H](N)CC(C)C MCULE-2815754631 [0,1,0,0,0,1|1,0,0]=3 178 B18R2.120969 COC1=CC=C2NC=C(C2=C1)[C@H](N)CC(C)C MCULE-6652456311 [0,1,0,0,0,1|1,0,0]=3 179 B18R2.120970 CCC1=CC=C2OC=C(C2=C1)CC(=O)N(C)C MCULE-2991463596 [0,1,0,0,0,1|2,0,0]=4 180 B18R2.120972 CCN(C)CCC1=CNC2=CC=C(C=C12)OC MCULE-7703394567 [0,1,0,0,0,1|0,0,0]=2 181 B18R2.120972 COC(=O)CCC1=CNC2=C1C=C(C=C2)OC MCULE-6932210826 [0,1,0,0,0,1|2,0,0]=4 182 B18R2.173884 COC1=CC=C2NC(=C(C2=C1)CCN(C)C)C MCULE-9784764268 [0,1,0,0,0,1|0,0,0]=2 183 B18R2.173884 COC1=CC=C2NC(=O)C(=CNC(C)C)C2=C1 MCULE-2052271819 [0,1,0,0,0,1|1,0,1]=4 184 B18R2.867030 COC1=CC2=C(C=C1)NC=C2CC[N+](C)(C)C MCULE-5107317842 [0,1,0,0,0,1|0,0,1]=3 185 B18R2.867030 COC1=CC2=C(C=C1)NC=C2CC[N+](C)(C)C MCULE-7676087631 [0,1,0,0,0,1|0,0,1]=3 186 B18R2.1371375 CN(C)CCC1=CNC2=C1C=C(C=C2)N(=O)=O MCULE-7010426868 [0,1,0,0,0,1|2,0,0]=4 187 B18R2.1371375 CN(C)CCC1=CNC2=CC=C(C=C12)N(=O)=O MCULE-9208440523 [0,1,0,0,0,1|2,0,0]=4 188 B18R2.173750 COC(=O)CC1=C(NC2=CC=C(C=C12)OC)C MCULE-3139172585 [0,2,0,0,0,0|2,0,0]=4 189 B18R2.820003 COC1=CC=C2C(=C1)C(=C(N2C)C)CN(C)C MCULE-8250071920 [0,2,0,0,0,0|0,0,0]=2 190 B18R2.690454 COC(=O)C1=CC2=C(C=C1)NC=C2CN(C)C MCULE-6115181322 [0,2,0,0,0,0|0,0,0]=2 191 B18R2.690454 COC(=O)C1=CN2C(=CN=C2C=C1)CN(C)C MCULE-9062339765 [0,2,0,0,0,0|1,0,1]=4 192 B18R2.866891 COC1=CC=C2NC=C(C2=C1)[C@@H](N)C(C)(C)C MCULE-3472011032 [0,2,0,0,0,0|1,0,0]=3 193 B18R2.866891 COC1=CC=C2NC=C(C2=C1)[C@@H](N)C(C)(C)C MCULE-7825056737 [0,2,0,0,0,0|1,0,0]=3 194 B18R2.866891 COC1=CC=C2NC=C(C2=C1)[C@H](N)C(C)(C)C MCULE-7393015327 [0,2,0,0,0,0|1,0,0]=3 195 B18R2.866891 COC1=CC=C2NC=C(C2=C1)[C@H](N)C(C)(C)C MCULE-8099438027 [0,2,0,0,0,0|1,0,0]=3 196 B18R2.120974 CCC(C)[C@@H](N)C1=CNC2=CC=C(C=C12)OC MCULE-3944313334 [0,2,0,0,0,0|1,0,0]=3 197 B18R2.120974 CCC(C)[C@@H](N)C1=CNC2=CC=C(C=C12)OC MCULE-6005749430 [0,2,0,0,0,0|1,0,0]=3 198 B18R2.120974 CCC(C)[C@H](N)C1=CNC2=CC=C(C=C12)OC MCULE-4478993104 [0,2,0,0,0,0|1,0,0]=3 199 B18R2.120974 CCC(C)[C@H](N)C1=CNC2=CC=C(C=C12)OC MCULE-5167863785 [0,2,0,0,0,0|1,0,0]=3 200 B18R2.120974 COC(=O)[C@@H](N)C1=CNC2=CC=C(C=C12)OC MCULE-2610088376 [0,2,0,0,0,0|2,0,0]=4 201 B18R2.120974 COC(=O)[C@@H](N)C1=CNC2=CC=C(C=C12)OC MCULE-3838213811 [0,2,0,0,0,0|2,0,0]=4 202 B18R2.120974 COC(=O)[C@H](N)C1=CNC2=CC=C(C=C12)OC MCULE-2192835630 [0,2,0,0,0,0|2,0,0]=4 203 B18R2.120974 COC(=O)[C@H](N)C1=CNC2=CC=C(C=C12)OC MCULE-3026475412 [0,2,0,0,0,0|2,0,0]=4 204 B18R2.120974 COC1=CC=C2NC=C(C2=C1)C(=O)C(C)CBr MCULE-7515232364 [0,2,0,0,0,0|1,0,1]=4 205 B18R2.2201742 CCOC(=O)CC1=CNC2=C1C=C(C=C2)OC MCULE-5183419302 [0,2,0,0,0,0|2,0,0]=4 206 B16R2.36785 COC1=C2NC=C(C2=CC=C1)CC(=O)C MCULE-5719662006 [0,0,1,1,0,0|2,0,0]=4 207 B16R3.18423 CC1=CC2=C(C=C1)NC3=C2CC(C3)N MCULE-2089968926 [1,0,0,1,0,0|2,0,0]=4 208 B16R3.18707 FC1=CC=C2NC=C(C2=C1)CC3CC3 MCULE-4188623363 [1,0,0,1,0,0|2,0,0]=4 209 B18R3.172984 COC1=CC2=C(C=C1)NC3=C2CCC(=O)C3 MCULE-8083337091 [0,0,0,1,0,1|2,0,0]=4 210 B18R3.174331 COC1=CC2=C(C=C1)NC3=C2CC(CC3)N MCULE-1371552838 [0,1,0,1,0,0|2,0,0]=4 211 B18R3.174331 COC1=CC2=C(C=C1)NC3=C2CN(CC3)C MCULE-8290063503 [0,1,0,1,0,0|0,0,0]=2 212 B18R3.1402647 COC1=CC=C2NC=C(C2=C1)[C@@H](N)C3CC3 MCULE-5525653658 [0,1,0,1,0,0|1,0,0]=3 213 B18R3.1402647 COC1=CC=C2NC=C(C2=C1)[C@@H](N)C3CC3 MCULE-6900355542 [0,1,0,1,0,0|1,0,0]=3 214 B18R3.1402647 COC1=CC=C2NC=C(C2=C1)[C@H](N)C3CC3 MCULE-5189061117 [0,1,0,1,0,0|1,0,0]=3 215 B18R3.1402647 COC1=CC=C2NC=C(C2=C1)[C@H](N)C3CC3 MCULE-6778495772 [0,1,0,1,0,0|1,0,0]=3 216 B14R1.4 COC1=CC=C(C=C1)C#CCN(C)C MCULE-4518621304 [0,0,1,0,1,0|0,0,2]=4 217 B14R1.4 COC1=CC=C(C=C1)NCCC(C)C MCULE-2000155198 [0,0,1,0,1,0|1,0,1]=4 218 B14R1.4 COC1=CC=C(C=C1)OCCN(C)C MCULE-9843605463 [0,0,1,0,1,0|1,0,1]=4 219 B14R1.80 COC1=CC(=CC=C1)C(CN)N(C)C MCULE-9056067833 [0,0,1,0,1,0|0,0,2]=4 220 B14R1.2340 COC1=CC(=C(C=C1)F)C(=O)N(C)C MCULE-6131561671 [0,0,1,0,1,0|2,0,0]=4 221 B14R1.2340 COC1=CC=C(C(=C1)C(=O)N(C)C)I MCULE-4447504062 [0,0,1,0,1,0|2,0,0]=4 222 B14R1.3723 COC1=CC(=C(C=C1)C=O)CN(C)C MCULE-1688194278 [0,0,1,0,1,0|2,0,0]=4 223 B14R1.3723 COC1=CC=C(C(=C1)CN(C)C)C=O MCULE-3498139878 [0,0,1,0,1,0|2,0,0]=4 224 B14R2.5816 CC(=O)C1=CNC2=CC=C(C=C12)C MCULE-3974175009 [1,0,0,0,1,0|2,0,0]=4 225 B14R2.5816 CC(C)C1=CNC2=C1C=C(C=C2)Br MCULE-3265773003 [1,0,0,0,1,0|2,0,0]=4 226 B14R2.5816 CC(C)C1=CNC2=C1C=C(C=C2)F MCULE-5735317057 [1,0,0,0,1,0|2,0,0]=4 227 B14R2.5816 CN(C)C1=NNC2=C1C=C(C=C2)Br MCULE-5876436692 [1,0,0,0,1,0|2,0,0]=4 228 B16R1.2 COC1=CC=C(C=C1)CNCCCN(C)C MCULE-2810659418 [0,0,1,0,0,1|0,0,2]=4 229 B16R1.2 COC1=CC=C(C=C1)CNCCCN(C)C MCULE-9562493658 [0,0,1,0,0,1|0,0,2]=4 230 B16R1.2 COC1=CC=C(C=C1)OCC=CCN(C)C MCULE-4895372204 [0,0,1,0,0,1|1,0,0]=3 231 B16R1.2 COC1=CC=C(C=C1)OCC=CCN(C)C MCULE-6339732565 [0,0,1,0,0,1|1,0,0]=3 232 B16R2.15551 CN(C)CCC1=CNC2=C1C=C(C=C2)Cl MCULE-1556032580 [1,0,0,0,0,1|1,0,0]=3 233 B16R2.15551 CN(C)CCC1=CNC2=C1C=C(C=C2)Cl MCULE-4252363733 [1,0,0,0,0,1|1,0,0]=3 234 B16R2.15551 CN(C)CCC1=CNC2=C1C=C(C=C2)N MCULE-2093808664 [1,0,0,0,0,1|1,0,0]=3 235 B16R2.15551 CN(C)CCC1=CNC2=CC=C(C=C12)Br MCULE-4875343540 [1,0,0,0,0,1|1,0,0]=3 236 B16R2.15551 CN(C)CCC1=CSC2=C1C=C(C=C2)Cl MCULE-4931315082 [1,0,0,0,0,1|2,0,0]=4 237 B16R2.15551 CN(C)CCC1=CSC2=C1C=C(C=C2)Cl MCULE-6558653146 [1,0,0,0,0,1|2,0,0]=4 238 B16R2.36851 CN(C)CC1=CNC2=CC=CC(=C12)C#N MCULE-2597226943 [0,0,0,0,1,1|2,0,0]=4 239 B16R2.36851 COC1=C2C(=CNC2=CC=C1)CC(=O)C MCULE-8110245462 [0,0,0,0,1,1|2,0,0]=4 240 B16R2.2482 CN(C)CC1=CNC2=CC(=CC=C12)C#N MCULE-2677364919 [0,0,0,0,1,1|2,0,0]=4 241 B16R2.2482 COC1=CC2=C(C=C1)C(=CN2)CC(C)N MCULE-5432591772 [0,0,0,0,1,1|2,0,0]=4 242 B16R2.2482 COC1=CC2=C(C=C1)C(=CN2)CC(C)N MCULE-9723713983 [0,0,0,0,1,1|2,0,0]=4 243 B16R2.2482 COC1=CC2=C(C=C1)C(=CN2)CN(C)C MCULE-9203250848 [0,0,0,0,1,1|0,0,0]=2 244 B18R2.120971 COC1=CC2=C(C=C1)NC=C2CCNC(=O)C MCULE-1497884152 [0,0,0,0,0,2|2,0,0]=4 245 B18R2.120971 COC1=CC2=C(C=C1)NC=C2CCNC(C)C MCULE-1187711668 [0,0,0,0,0,2|1,0,0]=3 246 B18R2.120971 COC1=CC2=C(C=C1)NC=C2CCNC(C)C MCULE-6372151765 [0,0,0,0,0,2|1,0,0]=3 247 B18R2.120971 COC1=CC=C2NC=C(C2=C1)CNCC(C)C MCULE-2687251430 [0,0,0,0,0,2|1,0,0]=3