0 B17R2.139606 COC1=C(C=C2C(=C1)C=C(N=C2C)O)OC MCULE-8138887105 [0,0,0,0,0,0|3,0,1]=4 1 B17R2.139606 COC1=C(C=C2C(=C1)C=C(N=C2Cl)Cl)OC MCULE-7642330630 [0,0,0,0,0,0|3,0,1]=4 2 B17R2.139606 COC1=C(C=C2C(=C1)N=C(N=C2Cl)Cl)OC MCULE-4354724033 [0,0,0,0,0,0|2,0,2]=4 3 B17R2.139606 COC1=C(C=C2C(=C1)N=C(N=C2N)Cl)OC MCULE-9000834463 [0,0,0,0,0,0|1,0,3]=4 4 B17R2.139606 COC1=C(C=C2C(=CC(=NC2=C1)C)Cl)OC MCULE-6751340599 [0,0,0,0,0,0|3,0,1]=4 5 B17R2.139606 COC1=C(C=C2C(=CC(=NC2=C1)C)O)OC MCULE-9598251353 [0,0,0,0,0,0|3,0,1]=4 6 B17R2.139606 COC1=C(C=C2C(=CC(=NC2=C1)Cl)C)OC MCULE-5356076411 [0,0,0,0,0,0|3,0,1]=4 7 B17R2.139606 COC1=C(C=C2C(=CC(=NC2=C1)Cl)Cl)OC MCULE-6064787286 [0,0,0,0,0,0|3,0,1]=4 8 B17R2.139606 COC1=C(C=C2C(=CC(=O)NC2=C1)C)OC MCULE-9949317463 [0,0,0,0,0,0|3,0,0]=3 9 B17R2.139606 COC1=C(C=C2C(=CC(=O)NC2=C1)Cl)OC MCULE-7358058130 [0,0,0,0,0,0|3,0,0]=3 10 B17R2.139606 COC1=C(C=C2C(=CC(=O)NC2=C1)O)OC MCULE-6410568511 [0,0,0,0,0,0|3,0,0]=3 11 B17R2.139606 COC1=C(C=C2C(=O)NC(=NC2=C1)C)OC MCULE-7926522965 [0,0,0,0,0,0|2,0,1]=3 12 B17R2.139606 COC1=C(C=C2C(=O)NC(=NC2=C1)Cl)OC MCULE-8442036307 [0,0,0,0,0,0|2,0,1]=3 13 B17R2.139606 COC1=C(C=C2C(=O)OC(=NC2=C1)C)OC MCULE-9995273127 [0,0,0,0,0,0|3,0,1]=4 14 B17R2.139606 COC1=C(C=C2C(=O)OC(=O)CC2=C1)OC MCULE-6196889822 [0,0,0,0,0,0|4,0,0]=4 15 B17R2.139606 COC1=C(C=C2C(=O)OC(=O)NC2=C1)OC MCULE-5067568851 [0,0,0,0,0,0|3,0,0]=3 16 B17R2.139606 COC1=CC2=C(C=C1OC)C(=CC(=O)O2)C MCULE-4576976946 [0,0,0,0,0,0|4,0,0]=4 17 B17R2.139606 COC1=CC2=C(C=C1OC)C(=NC(=N2)N)N MCULE-8273845001 [0,0,0,0,0,0|0,0,4]=4 18 B17R2.139606 COC1=CC2=C(C=C1OC)C(=NC(=N2)N)O MCULE-2684577069 [0,0,0,0,0,0|1,0,3]=4 19 B17R2.139606 COC1=CC2=C(C=C1OC)C(=O)NC(=N2)S MCULE-8055610574 [0,0,0,0,0,0|2,0,1]=3 20 B17R2.139606 COC1=CC2=C(C=C1OC)C(=O)NC(=O)N2 MCULE-4184116847 [0,0,0,0,0,0|2,0,0]=2 21 B17R2.139606 COC1=CC2=C(C=C1OC)C(NC(=N2)C)Cl MCULE-9381499992 [0,0,0,0,0,0|2,0,2]=4 22 B17R2.139606 COC1=CC2=CC(=NC(=C2C=C1OC)C)C MCULE-5561308610 [0,0,0,0,0,0|3,0,1]=4 23 B17R2.139606 COC1=CC2=CC(=[O+]C(=C2C=C1OC)C)C MCULE-8105579921 [0,0,0,0,0,0|4,0,0]=4 24 B17R2.139606 COC1=CC2=CC(=[O+]C(=C2C=C1OC)C)C MCULE-8539471815 [0,0,0,0,0,0|4,0,0]=4 25 B17R2.139606 COC1=CC2=NC(=NC(=C2C=C1OC)Cl)C MCULE-5338461033 [0,0,0,0,0,0|2,0,2]=4 26 B17R2.139606 COC1=CC2=NC(=NC(=C2C=C1OC)Cl)N MCULE-6365714482 [0,0,0,0,0,0|1,0,3]=4 27 B17R2.139606 COC1=CC2=NC(=NC(=C2C=C1OC)N)N MCULE-2367198151 [0,0,0,0,0,0|0,0,4]=4 28 B17R2.139606 COC1=CC2NC(=O)NC(=O)C2C=C1OC MCULE-4009298954 [0,0,0,0,0,0|2,0,2]=4 29 B16R2.1461 COC1=C(C=C2C=C(C=CC2=C1)N)OC MCULE-2833282306 [1,0,0,0,0,0|2,0,1]=4 30 B16R2.1461 COC1=C(C=C2CC(=O)NCC2=C1)OC MCULE-7276997391 [1,0,0,0,0,0|2,0,1]=4 31 B16R2.1461 COC1=C(C=C2N=C(C=CC2=C1)Cl)OC MCULE-7378086469 [1,0,0,0,0,0|2,0,1]=4 32 B16R2.1461 COC1=C(C=C2NC(=O)C=NC2=C1)OC MCULE-6396933020 [1,0,0,0,0,0|3,0,0]=4 33 B16R2.1461 COC1=C(C=C2NC(=O)CCC2=C1)OC MCULE-4532253987 [1,0,0,0,0,0|2,0,1]=4 34 B16R2.1461 COC1=C(C=C2NC(=O)OCC2=C1)OC MCULE-3536623627 [1,0,0,0,0,0|2,0,1]=4 35 B16R2.1461 COC1=C(C=C2OC(=O)C=CC2=C1)OC MCULE-1591753422 [1,0,0,0,0,0|3,0,0]=4 36 B16R2.1461 COC1=C(C=C2OCC(=O)NC2=C1)OC MCULE-7948465717 [1,0,0,0,0,0|3,0,0]=4 37 B16R2.1461 COC1=CC2=C(C=C(N=C2)Cl)C=C1OC MCULE-7572123156 [1,0,0,0,0,0|2,0,1]=4 38 B16R2.1461 COC1=CC2=C(C=C(N=C2)N)C=C1OC MCULE-7630045477 [1,0,0,0,0,0|1,0,2]=4 39 B16R2.1461 COC1=CC2=C(C=C1OC)NC(=O)C=C2 MCULE-9673527901 [1,0,0,0,0,0|2,0,0]=3 40 B16R2.1461 COC1=CC2=C(C=C1OC)NC(=O)CN2 MCULE-5104364640 [1,0,0,0,0,0|3,0,0]=4 41 B16R2.1461 COC1=CC2=C(C=C1OC)NC(=O)N=C2 MCULE-1149900005 [1,0,0,0,0,0|1,0,1]=3 42 B16R2.1461 COC1=CC2=CN=C(N=C2C=C1OC)Cl MCULE-5322104427 [1,0,0,0,0,0|1,0,2]=4 43 B16R2.1935 COC1=C(C=C2C(=C1)C=CN=C2Cl)OC MCULE-6083924311 [1,0,0,0,0,0|2,0,1]=4 44 B16R2.1935 COC1=C(C=C2C(=C1)N=CN=C2Cl)OC MCULE-4444972704 [1,0,0,0,0,0|1,0,2]=4 45 B16R2.1935 COC1=C(C=C2C(=C1)N=CN=C2O)OC MCULE-9907272674 [1,0,0,0,0,0|1,0,2]=4 46 B16R2.1935 COC1=C(C=C2C(=C1)N=CN=C2S)OC MCULE-5863972324 [1,0,0,0,0,0|1,0,2]=4 47 B16R2.1935 COC1=C(C=C2C(=CC=NC2=C1)Br)OC MCULE-2454406483 [1,0,0,0,0,0|2,0,1]=4 48 B16R2.1935 COC1=C(C=C2C(=CC=NC2=C1)I)OC MCULE-8020823269 [1,0,0,0,0,0|2,0,1]=4 49 B16R2.1935 COC1=C(C=C2C(=CC=NC2=C1)N)OC MCULE-7116148622 [1,0,0,0,0,0|1,0,2]=4 50 B16R2.1935 COC1=C(C=C2C(=O)C=CNC2=C1)OC MCULE-7640456712 [1,0,0,0,0,0|2,0,0]=3 51 B16R2.1935 COC1=C(C=C2C(=O)NCCC2=C1)OC MCULE-3983514525 [1,0,0,0,0,0|2,0,1]=4 52 B16R2.1935 COC1=C(C=C2C(=S)NCCC2=C1)OC MCULE-2845963746 [1,0,0,0,0,0|2,0,1]=4 53 B16R2.1935 COC1=CC2=C(C=C1OC)C(=CC=N2)C MCULE-3209547590 [1,0,0,0,0,0|2,0,1]=4 54 B16R2.1935 COC1=CC2=C(C=C1OC)C(=NC=C2)Br MCULE-4000063925 [1,0,0,0,0,0|2,0,1]=4 55 B16R2.1935 COC1=CC2=C(C=C1OC)C(=NC=C2)C MCULE-2252574649 [1,0,0,0,0,0|2,0,1]=4 56 B16R2.1935 COC1=CC2=C(C=C1OC)C(=O)C=NN2 MCULE-6206453542 [1,0,0,0,0,0|3,0,0]=4 57 B16R2.1935 COC1=CC2=C(C=C1OC)C(=O)CC=N2 MCULE-2160257209 [1,0,0,0,0,0|2,0,1]=4 58 B16R2.1935 COC1=CC2=C(C=C1OC)C(=O)NC=C2 MCULE-7178453480 [1,0,0,0,0,0|2,0,0]=3 59 B16R2.1935 COC1=CC2=C(C=C1OC)C(=O)NN=C2 MCULE-5284889266 [1,0,0,0,0,0|3,0,0]=4 60 B16R2.1935 COC1=CC2=NC=CC(=C2C=C1OC)Cl MCULE-9967846569 [1,0,0,0,0,0|2,0,1]=4 61 B16R2.1935 COC1=CC2=NC=NC(=C2C=C1OC)C MCULE-6186250904 [1,0,0,0,0,0|1,0,2]=4 62 B16R2.1935 COC1=CC2=NC=NC(=C2C=C1OC)N MCULE-1361389645 [1,0,0,0,0,0|0,0,3]=4 63 B16R2.192589 COC1=C(C=C2C(=O)NC(=NC2=C1)C)O MCULE-9170997659 [1,0,0,0,0,0|2,0,1]=4 64 B18R2.28612 COC1=C(C=C2C(=O)N(C(=NC2=C1)C)C)OC MCULE-5019627191 [0,1,0,0,0,0|2,0,1]=4 65 B18R2.28612 COC1=C(C=C2C(=O)N(C(=NC2=C1)C)N)OC MCULE-5523184824 [0,1,0,0,0,0|2,0,1]=4 66 B18R2.28612 COC1=C(C=C2C(=O)N(C(=NC2=C1)C)O)OC MCULE-7049792537 [0,1,0,0,0,0|2,0,1]=4 67 B18R2.28612 COC1=C(C=C2C(=O)N(C(=O)NC2=C1)C)OC MCULE-6397786850 [0,1,0,0,0,0|2,0,0]=3 68 B18R2.28612 COC1=C(C=C2C(=O)N(C(=O)NC2=C1)N)OC MCULE-6615115221 [0,1,0,0,0,0|2,0,0]=3 69 B18R2.28612 COC1=C(C=C2C(=O)N(C(=S)NC2=C1)C)OC MCULE-8759767176 [0,1,0,0,0,0|2,0,0]=3 70 B18R2.28612 COC1=C(C=C2C(=O)N(C(=S)NC2=C1)N)OC MCULE-7393227227 [0,1,0,0,0,0|2,0,0]=3 71 B18R2.28612 COC1=CC2=C(C=C1OC)C(=N)N(C(=S)N2)N MCULE-2763114948 [0,1,0,0,0,0|1,0,0]=2 72 B18R2.253913 COC1=CC2=C(C(=O)NC(=N2)Cl)C(=C1OC)C MCULE-9125840190 [0,1,0,0,0,0|2,0,1]=4 73 B18R2.1926414 COC1=C(C=C2C(=O)NC(=NC2=C1)CCl)OC MCULE-6195380970 [0,1,0,0,0,0|2,0,1]=4 74 B18R2.1926414 COC1=C(C=C2C(=O)NC(=NC2=C1)SC)OC MCULE-4199370173 [0,1,0,0,0,0|2,0,1]=4 75 B16R1.1559 CCNC(=S)NC1=CC(=C(C=C1)OC)OC MCULE-2868737256 [0,0,1,0,0,0|2,0,1]=4 76 B16R1.20043 COC1=C(C=C(C(=C1)C=O)NC(=O)C)OC MCULE-6749036459 [0,0,1,0,0,0|3,0,0]=4 77 B16R2.1645 COC1=C(C=C2C(=O)C(=O)NC2=C1)OC MCULE-6914116346 [0,0,0,0,1,0|2,0,0]=3 78 B16R2.1645 COC1=CC2=C(C=C1OC)C(=O)C(=O)C2 MCULE-2200849845 [0,0,0,0,1,0|3,0,0]=4 79 B16R2.75585 COC1=CC2=C(C=C1OC)C(=O)CC2=O MCULE-6494116441 [0,0,0,0,1,0|3,0,0]=4 80 B16R2.75585 COC1=CC2=C(C=C1OC)C(=O)OC2=O MCULE-3946540963 [0,0,0,0,1,0|3,0,0]=4 81 B18R2.769082 COC1=C(C=C2C(=O)OC(=N)CNC2=C1)OC MCULE-2044082801 [0,0,0,0,0,1|2,0,0]=3 82 B15R1.3769 C=CC(=O)NC1=CC(=C(C=C1)OC)OC MCULE-8865655681 [1,0,1,0,0,0|2,0,0]=4 83 B15R1.3769 CNC(=S)NC1=CC(=C(C=C1)OC)OC MCULE-9090333113 [1,0,1,0,0,0|1,0,1]=4 84 B15R1.3769 COC1=C(C=C(C=C1)NC(=S)NN)OC MCULE-6426622320 [1,0,1,0,0,0|1,0,1]=4 85 B15R1.3769 COC1=CC=C(C=C1OC)NC(=O)NN MCULE-5973433917 [1,0,1,0,0,0|1,0,1]=4 86 B15R1.12854 COC1=C(C=C(C=C1)/C=C/C(=O)N)OC MCULE-5228677622 [1,0,1,0,0,0|2,0,0]=4 87 B15R1.12854 COC1=C(C=C(C=C1)C=CC(=O)N)OC MCULE-2258101306 [1,0,1,0,0,0|2,0,0]=4 88 B15R1.12854 COC1=C(C=C(C=C1)CNC(=N)N)OC MCULE-6528989627 [1,0,1,0,0,0|0,0,1]=3 89 B15R1.12854 COC1=C(C=C(C=C1)CNC(=O)N)OC MCULE-8378438145 [1,0,1,0,0,0|1,0,1]=4 90 B15R1.12854 COC1=C(C=C(C=C1)CNC(=S)N)OC MCULE-8671661453 [1,0,1,0,0,0|1,0,1]=4 91 B15R1.1827 CNC(=O)C1=C(C=C(C(=C1)OC)OC)N MCULE-5442598602 [1,0,1,0,0,0|1,0,1]=4 92 B15R2.117 COC1=C(C=C2N=CC=CC2=C1)OC MCULE-5913721591 [2,0,0,0,0,0|1,0,1]=4 93 B15R2.117 COC1=CC2=C(C=NC=C2)C=C1OC MCULE-6882343029 [2,0,0,0,0,0|1,0,1]=4 94 B15R2.117 COC1=CC2=CC=CC=C2C=C1OC MCULE-6511152466 [2,0,0,0,0,0|2,0,0]=4 95 B15R2.2039 COC1=C(C=C2C(=O)NC=NC2=C1)O MCULE-6498477562 [2,0,0,0,0,0|1,0,1]=4 96 B15R2.2393 COC1=C(C=C2N=CNC(=O)C2=C1)O MCULE-6258110365 [2,0,0,0,0,0|1,0,1]=4 97 B15R2.21329 COC1=CC2=C(C=C1)NC(=O)NC2=O MCULE-9901245716 [2,0,0,0,0,0|2,0,0]=4 98 B15R2.59733 CC1=CC2=C(C=C1C)C(=O)NC(=O)N2 MCULE-9600040984 [2,0,0,0,0,0|2,0,0]=4 99 B17R1.4925 C=CCNC(=S)NC1=CC=C(C(=C1)OC)OC MCULE-1397803919 [0,1,1,0,0,0|2,0,0]=4 100 B17R1.4925 COC1=C(C=C(C=C1)NC(=S)NNC=O)OC MCULE-5576717960 [0,1,1,0,0,0|2,0,0]=4 101 B17R1.37670 COC1=C(C=C(C=C1)S(=O)(=O)NC(=N)N)OC MCULE-3792904304 [0,1,1,0,0,0|2,0,0]=4 102 B17R1.28859 COC1=C(C=C(C(=C1)NC(=O)N)C(=O)O)OC MCULE-4737503446 [0,1,1,0,0,0|2,0,0]=4 103 B17R2.70841 COC1=CC2=C(C(=O)NC=N2)C(=C1OC)Cl MCULE-8671763334 [1,1,0,0,0,0|1,0,1]=4 104 B17R2.71042 COC1=CC2=C(C=C1OC)C(=CNC2=O)Br MCULE-1235082645 [1,1,0,0,0,0|2,0,0]=4 105 B17R2.1194881 COC1=CC2=C(C=C1OC)C(=O)/C(=N/O)/C2 MCULE-2236486039 [0,1,0,0,1,0|2,0,0]=4 106 B17R2.1194881 COC1=CC2=C(C=C1OC)C(=O)C(=NO)C2 MCULE-9094048121 [0,1,0,0,1,0|2,0,0]=4 107 B19R2.1431512 COC1=C(C=C2C(=O)N(CC(=O)NC2=C1)C)OC MCULE-5212491121 [0,1,0,0,0,1|2,0,0]=4 108 B19R2.449884 CCN1C(=O)NC2=C(C1=O)C=C(C(=C2)OC)OC MCULE-9734733355 [0,2,0,0,0,0|2,0,0]=4 109 B19R2.1605149 COC1=C(C(=C2NC(=O)NC(=O)C2=C1)OC)OC MCULE-3322189534 [0,2,0,0,0,0|2,0,0]=4 110 B17R2.12239 COC1=CC=C(C=C1OC)CC2=NN=NN2 MCULE-8475133204 [0,0,1,1,0,0|2,0,0]=4 111 B17R2.12239 COC1=CC=C(C=C1OC)NC2=NC=CO2 MCULE-3419620652 [0,0,1,1,0,0|2,0,0]=4 112 B17R2.12239 COC1=CC=C(C=C1OC)NC2=NC=CS2 MCULE-8754372676 [0,0,1,1,0,0|2,0,0]=4 113 B17R2.2408 COC1=C(C=C(C=C1)C2=CN=C(S2)N)OC MCULE-7047460738 [0,0,1,1,0,0|2,0,0]=4 114 B17R2.2408 COC1=C(C=C(C=C1)C2=NC(=NS2)N)OC MCULE-6411465943 [0,0,1,1,0,0|1,0,1]=4 115 B17R2.2408 COC1=C(C=C(C=C1)C2=NN=C(N2)N)OC MCULE-4079124688 [0,0,1,1,0,0|0,0,0]=2 116 B17R2.2408 COC1=C(C=C(C=C1)C2=NN=C(O2)S)OC MCULE-1698907789 [0,0,1,1,0,0|2,0,0]=4 117 B17R2.2408 COC1=C(C=C(C=C1)C2=NN=C(S2)N)OC MCULE-9926826445 [0,0,1,1,0,0|1,0,0]=3 118 B17R2.2408 COC1=C(C=C(C=C1)C2=NNC(=C2)N)OC MCULE-8923921510 [0,0,1,1,0,0|1,0,1]=4 119 B17R2.2408 COC1=C(C=C(C=C1)C2=NNC(=C2)O)OC MCULE-3551684955 [0,0,1,1,0,0|2,0,0]=4 120 B17R2.2408 COC1=C(C=C(C=C1)C2=NNC(=S)N2)OC MCULE-1288409340 [0,0,1,1,0,0|1,0,0]=3 121 B17R2.2408 COC1=C(C=C(C=C1)C2=NOC(=N2)N)OC MCULE-2511233106 [0,0,1,1,0,0|1,0,1]=4 122 B17R2.2408 COC1=CC=C(C=C1OC)C2=NN=C(O2)N MCULE-6308767000 [0,0,1,1,0,0|1,0,0]=3 123 B17R2.2408 COC1=CC=C(C=C1OC)C2=NOC(=C2)N MCULE-6413499796 [0,0,1,1,0,0|2,0,0]=4 124 B17R2.2408 COC1=CC=C(C=C1OC)C2=NSC(=N2)N MCULE-8390375956 [0,0,1,1,0,0|1,0,1]=4 125 B17R2.412884 COC1=CC=C2C(=O)NC(=O)NC2=C1OC MCULE-9585246775 [0,0,1,1,0,0|2,0,0]=4 126 B17R2.72071 COC1=C(C=C(C(=C1)Br)C2=NC=CN2)OC MCULE-9166518441 [0,0,1,1,0,0|2,0,0]=4 127 B17R2.72071 COC1=C(C=C(C(=C1)Br)C2=NN=NN2)OC MCULE-5579363044 [0,0,1,1,0,0|2,0,0]=4 128 B17R2.72071 COC1=C(C=C(C(=C1)N)C2=NN=NN2)OC MCULE-5543048293 [0,0,1,1,0,0|1,0,0]=3 129 B17R3.22401 O=C1NC2=CC3=C(C=C2C1=O)OCCO3 MCULE-5994163672 [0,0,0,1,1,0|2,0,0]=4 130 B15R2.2035 COC1=C(C=C2NC(=NC2=C1)Cl)OC MCULE-3159673223 [1,0,0,0,1,0|1,0,1]=4 131 B15R2.2035 COC1=C(C=C2NC(=NC2=C1)N)OC MCULE-4700174409 [1,0,0,0,1,0|0,0,2]=4 132 B15R2.2035 COC1=C(C=C2NC(=O)CC2=C1)OC MCULE-6460309440 [1,0,0,0,1,0|1,0,1]=4 133 B15R2.2035 COC1=C(C=C2NC(=S)NC2=C1)OC MCULE-6562775097 [1,0,0,0,1,0|1,0,0]=3 134 B15R2.2035 COC1=CC2=C(C=C1OC)NC(=N2)C MCULE-8130740044 [1,0,0,0,1,0|1,0,1]=4 135 B15R2.21574 COC1=C(C=C2C(=O)NOC2=C1)OC MCULE-7970533508 [1,0,0,0,1,0|2,0,0]=4 136 B15R2.21574 COC1=CC2=C(C=C1OC)C(=O)NC2 MCULE-5933478064 [1,0,0,0,1,0|1,0,1]=4 137 B15R2.39309 COC1=C(C=C2NC(=O)C(=O)C2=C1)O MCULE-2283374976 [1,0,0,0,1,0|2,0,0]=4 138 B15R2.39309 COC1=CC2=C(C=C1C)NC(=O)C2=O MCULE-8959333622 [1,0,0,0,1,0|2,0,0]=4 139 B17R1.4640 COC1=C(C=C(C=C1)C(=NNC(=S)N)C)OC MCULE-1711976927 [0,0,1,0,0,1|2,0,0]=4 140 B17R1.4640 COC1=CC=C(C=C1OC)C(=NNC(=O)N)C MCULE-8740301273 [0,0,1,0,0,1|2,0,0]=4 141 B17R1.4640 COC1=CC=C(C=C1OC)C(=O)NNC(=S)N MCULE-1186182845 [0,0,1,0,0,1|2,0,0]=4