0 B16R2.3356 CN1C2=CC=CC=C2N=C1CCC(=O)O MCULE-3207206517 [0,0,0,0,0,0|4,0,0]=4 1 B16R2.3356 CN1C2=CC=CC=C2N=C1CCC(=O)O MCULE-8197788299 [0,0,0,0,0,0|4,0,0]=4 2 B16R2.3356 O=C(O)CCN1CC2=CC=CC=C2C1=O MCULE-1678440942 [0,0,0,0,0,0|2,0,0]=2 3 B16R2.3356 O=C(O)CCN1N=C2C=CC=CN2C1=O MCULE-1070505083 [0,0,0,0,0,0|0,0,0]=0 4 B16R2.3356 O=C(O)CCN1NC2=C(C1=O)C=CC=C2 MCULE-6660536691 [0,0,0,0,0,0|1,0,1]=2 5 B16R2.3356 O=C(O)CCN1SC2=CC=CC=C2C1=O MCULE-2122311779 [0,0,0,0,0,0|2,0,0]=2 6 B15R2.89 C=CCCN1N=C2C=CC=CN2C1=O MCULE-3663648595 [1,0,0,0,0,0|1,0,0]=2 7 B15R2.89 CC#CCN1N=C2C=CC=CN2C1=O MCULE-6708516315 [1,0,0,0,0,0|1,0,2]=4 8 B15R2.89 O=C1C2=C(C=CC=C2)CN1CCCO MCULE-7938704722 [1,0,0,0,0,0|2,0,1]=4 9 B15R2.89 O=C1N(N=C2N1C=CC=C2)CCCBr MCULE-2859726833 [1,0,0,0,0,0|1,0,1]=3 10 B15R2.89 O=C1N(N=C2N1C=CC=C2)CCCO MCULE-7990959136 [1,0,0,0,0,0|0,0,1]=2 11 B15R2.1660 O=C(O)CCC1=CC2=C(N1)C=CC=C2 MCULE-1047547589 [1,0,0,0,0,0|2,0,1]=4 12 B15R2.1660 O=C(O)CCC1=CC2=C(O1)C=CC=C2 MCULE-6515499959 [1,0,0,0,0,0|3,0,0]=4 13 B15R2.1660 O=C(O)CCC1=CC2=C(S1)C=CC=C2 MCULE-4939959815 [1,0,0,0,0,0|3,0,0]=4 14 B15R2.1660 O=C(O)CCC1=CN2C=CC=CC2=N1 MCULE-1307261711 [1,0,0,0,0,0|1,0,0]=2 15 B15R2.1660 O=C(O)CCC1=CN2C=CC=NC2=N1 MCULE-2588920816 [1,0,0,0,0,0|2,0,0]=3 16 B15R2.1660 O=C(O)CCC1=NC2=C(N1)C=CC=C2 MCULE-3731847757 [1,0,0,0,0,0|3,0,0]=4 17 B15R2.1660 O=C(O)CCC1=NC2=C(O1)C=CC=C2 MCULE-4364196540 [1,0,0,0,0,0|3,0,0]=4 18 B15R2.1660 O=C(O)CCC1=NC2=CC=CC=C2S1 MCULE-5471495347 [1,0,0,0,0,0|3,0,0]=4 19 B15R2.1660 O=C(O)CCC1=NN2C=CC=NC2=N1 MCULE-4183203068 [1,0,0,0,0,0|3,0,0]=4 20 B15R2.1660 O=C(O)CCN1CC2=CC=CC=C2C1 MCULE-3300572752 [1,0,0,0,0,0|2,0,1]=4 21 B15R2.1660 O=C(O)CCN1CC2=CC=CC=C2C1 MCULE-4480342224 [1,0,0,0,0,0|2,0,1]=4 22 B15R2.1660 O=C(O)CCN1N=C2C=CC=CC2=N1 MCULE-3552861291 [1,0,0,0,0,0|2,0,0]=3 23 B17R2.547 COC(=O)CCN1CC2=C(C1=O)C=CC=C2 MCULE-2797542369 [0,1,0,0,0,0|2,0,0]=3 24 B17R2.547 COC(=O)CCN1N=C2C=CC=CC2=C1C MCULE-5918611280 [0,1,0,0,0,0|2,0,0]=3 25 B17R2.8946 O=CC1=C(NC2=C1C=CC=C2)CCC(=O)O MCULE-9127313504 [0,1,0,0,0,0|2,0,1]=4 26 B17R2.26429 C=C1C2=C(C=CC=C2)C(=O)N1CCC(=O)O MCULE-1828868270 [0,1,0,0,0,0|2,0,0]=3 27 B17R2.26429 CC(=O)CCN1C(=O)C2=CC=CC=C2C1=O MCULE-2933812419 [0,1,0,0,0,0|3,0,0]=4 28 B17R2.26429 NC(=O)CCN1C(=O)C2=CC=CC=C2C1=O MCULE-8115805551 [0,1,0,0,0,0|3,0,0]=4 29 B17R2.26429 O=C(Cl)CCN1C(=O)C2=C(C1=O)C=CC=C2 MCULE-4963087501 [0,1,0,0,0,0|3,0,0]=4 30 B17R2.26429 O=C(O)CCN1C(=O)C2=C(C1=O)C=CC=C2 MCULE-7469646479 [0,1,0,0,0,0|2,0,0]=3 31 B17R2.26429 O=C(O)CCN1C(=O)C2=CC=CN=C2C1=O MCULE-3933180450 [0,1,0,0,0,0|3,0,0]=4 32 B17R2.26429 O=C(O)CCN1C(=O)C2=CC=NC=C2C1=O MCULE-9044895946 [0,1,0,0,0,0|3,0,0]=4 33 B17R2.26429 O=C(O)CON1C(=O)C2=C(C1=O)C=CC=C2 MCULE-1090160459 [0,1,0,0,0,0|3,0,0]=4 34 B15R1.84 O=CC1=CC=CC=C1OCCCC(=O)O MCULE-2133280645 [0,0,1,0,0,0|3,0,0]=4 35 B15R1.1078 CC(CCC(=O)O)C(=O)C1=CC=CC=C1 MCULE-2210666188 [0,0,1,0,0,0|3,0,0]=4 36 B15R1.8019 CC1=C(C=CC=C1)C(=O)CCCC(=O)O MCULE-8627095197 [0,0,1,0,0,0|3,0,0]=4 37 B15R1.8019 CC1=C(C=CC=C1)C(=O)NCCC(=O)O MCULE-2620024877 [0,0,1,0,0,0|2,0,0]=3 38 B15R1.8019 NC(=O)CCNC(=O)C1=C(C=CC=C1)N MCULE-5824849409 [0,0,1,0,0,0|2,0,1]=4 39 B15R1.8019 NC(=O)CCNC(=O)C1=CC=CC=C1Cl MCULE-1012949600 [0,0,1,0,0,0|3,0,0]=4 40 B15R1.8019 NC1=C(C=CC=C1)C(=O)NCCC(=O)O MCULE-2778673340 [0,0,1,0,0,0|1,0,1]=3 41 B15R1.8019 O=C(O)CCCC(=O)C1=C(C=CC=C1)Br MCULE-6254117035 [0,0,1,0,0,0|3,0,0]=4 42 B15R1.8019 O=C(O)CCCC(=O)C1=C(C=CC=C1)Cl MCULE-3103349432 [0,0,1,0,0,0|3,0,0]=4 43 B15R1.8019 O=C(O)CCCC(=O)C1=C(C=CC=C1)F MCULE-9757131659 [0,0,1,0,0,0|3,0,0]=4 44 B15R1.8019 O=C(O)CCCC(=O)C1=C(C=CC=C1)I MCULE-1920834995 [0,0,1,0,0,0|3,0,0]=4 45 B15R1.8019 O=C(O)CCNC(=O)C1=C(C=CC=C1)Br MCULE-3840784923 [0,0,1,0,0,0|2,0,0]=3 46 B15R1.8019 O=C(O)CCNC(=O)C1=C(C=CC=C1)F MCULE-2285078721 [0,0,1,0,0,0|2,0,0]=3 47 B15R1.8019 O=C(O)CCNC(=O)C1=C(C=CC=C1)O MCULE-9964432323 [0,0,1,0,0,0|2,0,0]=3 48 B15R1.8019 O=C(O)CCNC(=O)C1=CC=CC=C1Cl MCULE-5544728437 [0,0,1,0,0,0|2,0,0]=3 49 B15R2.629 C=C(C)CN1N=C2C=CC=CN2C1=O MCULE-3149648579 [0,0,0,0,1,0|2,0,0]=3 50 B15R2.629 CC(=O)CN1CC2=C(C1=O)C=CC=C2 MCULE-9326586058 [0,0,0,0,1,0|3,0,0]=4 51 B15R2.629 NC(=O)CN1N=C2C=CC=CN2C1=O MCULE-8931173324 [0,0,0,0,1,0|1,0,0]=2 52 B15R2.629 NC(=S)CN1N=C2C=CC=CN2C1=O MCULE-8798548025 [0,0,0,0,1,0|1,1,0]=3 53 B15R2.629 O=C(O)CC1CC2=C(C1=O)C=CC=C2 MCULE-1402715967 [0,0,0,0,1,0|3,0,0]=4 54 B15R2.629 O=C(O)CN1CC2=C(C1=O)C=CC=C2 MCULE-2296148847 [0,0,0,0,1,0|2,0,0]=3 55 B15R2.629 O=C(O)CN1N=C2C=CC=CN2C1=O MCULE-2950617396 [0,0,0,0,1,0|0,0,0]=1 56 B15R2.629 O=C(O)CN1NC2=CC=CC=C2C1=O MCULE-9472624821 [0,0,0,0,1,0|1,0,1]=3 57 B15R2.629 O=C(O)CN1SC2=CC=CC=C2C1=O MCULE-3963413972 [0,0,0,0,1,0|2,0,0]=3 58 B15R2.629 O=C([O-])CN1N=C2C=CC=CN2C1=O MCULE-3340306385 [0,0,0,0,1,0|0,0,1]=2 59 B17R2.4043 CC(=O)NCCC1=C(N2C=CC=CC2=N1)Br MCULE-1713781960 [0,0,0,0,0,1|3,0,0]=4 60 B17R2.4043 O=C(O)CCCN1CC2=C(C1=O)C=CC=C2 MCULE-2912795332 [0,0,0,0,0,1|2,0,0]=3 61 B17R2.4043 O=C(O)CCCN1NC2=C(C1=O)C=CC=C2 MCULE-7509951060 [0,0,0,0,0,1|1,0,1]=3 62 B17R2.4043 O=C(O)CCCN1SC2=CC=CC=C2C1=O MCULE-6897975982 [0,0,0,0,0,1|2,0,0]=3 63 B17R2.5006 O=C(O)CCC1=CC2=CC=CC=C2NC1=O MCULE-4712555643 [0,0,0,0,0,1|3,0,0]=4 64 B17R2.5006 O=C(O)CCC1=NC2=C(C=CC=C2)NC1=O MCULE-4630620270 [0,0,0,0,0,1|2,0,0]=3 65 B17R2.5006 O=C(O)CCC1=NC2=C(C=CC=C2)OC1=O MCULE-4225008515 [0,0,0,0,0,1|2,0,0]=3 66 B17R2.5006 O=C(O)CCC1=NC2=CC=CN=C2NC1=O MCULE-1942621189 [0,0,0,0,0,1|3,0,0]=4 67 B17R2.5006 O=C(O)CCC1CC2=C(C=CC=C2)NC1=O MCULE-8952051105 [0,0,0,0,0,1|3,0,0]=4 68 B17R2.5006 O=C(O)CCC1OC2=CC=CC=C2NC1=O MCULE-6551154692 [0,0,0,0,0,1|3,0,0]=4 69 B17R2.5006 O=C(O)CCC1SC2=C(C=CC=C2)NC1=O MCULE-9780333263 [0,0,0,0,0,1|3,0,0]=4 70 B17R2.40403 O=C(O)CCC1=NC2=C(C=CC=C2)C(=O)N1 MCULE-9759862525 [0,0,0,0,0,1|2,0,0]=3 71 B17R2.40403 O=C(O)CSC1=NC2=CC=CC=C2C(=O)N1 MCULE-5585275943 [0,0,0,0,0,1|3,0,0]=4 72 B17R2.155580 CC(=O)OCN1N=NC2=C(C1=O)C=CC=C2 MCULE-6067065712 [0,0,0,0,0,1|3,0,0]=4 73 B17R2.155580 O=C(O)CCC1=NN=C2C=CC=CN2C1=O MCULE-3431343557 [0,0,0,0,0,1|1,0,0]=2 74 B17R2.155580 O=C(O)CCN1C=NC2=C(C1=O)C=CC=C2 MCULE-3825391711 [0,0,0,0,0,1|1,0,0]=2 75 B17R2.155580 O=C(O)CCN1C=NC2=CC=CC=C2C1=O MCULE-1973714125 [0,0,0,0,0,1|1,0,0]=2 76 B17R2.155580 O=C(O)CCN1COC2=CC=CC=C2C1=O MCULE-1151931293 [0,0,0,0,0,1|2,0,0]=3 77 B17R2.155580 O=C(O)CCN1N=CC2=CC=CC=C2C1=O MCULE-7892460049 [0,0,0,0,0,1|1,0,0]=2 78 B17R2.155580 O=C(O)CCN1N=NC2=CC=CC=C2C1=O MCULE-3909765899 [0,0,0,0,0,1|1,0,0]=2 79 B14R1.420 O=C(O)CCCC(=O)C1=CC=CC=C1 MCULE-1720844080 [1,0,1,0,0,0|2,0,0]=4 80 B14R1.420 O=C(O)CCNC(=O)C1=CC=CC=C1 MCULE-7715802662 [1,0,1,0,0,0|1,0,0]=3 81 B14R1.420 O=C(O)CCNC(=O)C1=CC=NC=C1 MCULE-4830439745 [1,0,1,0,0,0|2,0,0]=4 82 B14R1.420 O=C(O)CCNC(=O)C1=CN=CC=C1 MCULE-2571415591 [1,0,1,0,0,0|2,0,0]=4 83 B14R2.44 C=CCN1N=C2C=CC=CN2C1=O MCULE-9272230780 [2,0,0,0,0,0|0,0,1]=3 84 B14R2.44 N#CCN1N=C2C=CC=CN2C1=O MCULE-1710740601 [2,0,0,0,0,0|1,0,1]=4 85 B14R2.44 NCCN1N=C2C=CC=CN2C1=O MCULE-3026011803 [2,0,0,0,0,0|1,0,0]=3 86 B14R2.44 O=C1C2=CC=CC=C2CN1CCO MCULE-2557552368 [2,0,0,0,0,0|2,0,0]=4 87 B14R2.44 O=C1N(N=C2N1C=CC=C2)CCBr MCULE-4924817954 [2,0,0,0,0,0|1,0,0]=3 88 B14R2.44 O=C1N(N=C2N1C=CC=C2)CCO MCULE-2786697481 [2,0,0,0,0,0|0,0,0]=2 89 B16R1.12306 CC(=O)N(CCC(=O)O)CC1=CC=CC=C1 MCULE-1508941441 [0,1,1,0,0,0|2,0,0]=4 90 B16R1.7492 NC1=CC(=C(C=C1)Cl)C(=O)NCCC(=O)O MCULE-5919428138 [0,1,1,0,0,0|2,0,0]=4 91 B16R1.7492 NC1=CC(=C(C=C1)Cl)C(=O)NCCC(=O)O MCULE-9455462195 [0,1,1,0,0,0|2,0,0]=4 92 B16R1.7492 O=C(O)CCNC(=O)C1=C(C=CC(=C1)F)Br MCULE-8186880608 [0,1,1,0,0,0|2,0,0]=4 93 B16R1.11442 CC1=CC(=C(C=C1)C(=O)NCCC(=O)O)O MCULE-6316514916 [0,1,1,0,0,0|2,0,0]=4 94 B16R1.11442 NC1=CC(=C(C=C1)C(=O)NCCC(=O)O)Cl MCULE-5018323692 [0,1,1,0,0,0|2,0,0]=4 95 B16R1.11442 O=C(O)CCNC(=O)C1=C(C=C(C=C1)Cl)Cl MCULE-4728704240 [0,1,1,0,0,0|2,0,0]=4 96 B16R1.11442 O=C(O)CCNC(=O)C1=C(C=C(C=C1)F)Cl MCULE-6840459908 [0,1,1,0,0,0|2,0,0]=4 97 B16R1.11442 O=C(O)CCNC(=O)C1=C(C=C(C=C1)F)F MCULE-1123358552 [0,1,1,0,0,0|2,0,0]=4 98 B16R2.30052 O=CCCN1C(=O)C2=CC=CC=C2C1=O MCULE-2356509739 [1,1,0,0,0,0|2,0,0]=4 99 B16R2.1181 COC(=O)CCC1=CN2C=CC=CC2=N1 MCULE-2783387200 [1,1,0,0,0,0|1,0,0]=3 100 B16R2.1181 COC(=O)CCC1=CN2C=CC=CC2=N1 MCULE-6040822617 [1,1,0,0,0,0|1,0,0]=3 101 B16R2.1181 COC(=O)CCC1=CN2C=CC=NC2=N1 MCULE-9231954785 [1,1,0,0,0,0|2,0,0]=4 102 B16R2.1181 COC(=O)CCN1N=C2C=CC=CC2=N1 MCULE-8935081518 [1,1,0,0,0,0|2,0,0]=4 103 B16R2.12099 CC1=CC2=CN(N=C2N=C1)CCC(=O)O MCULE-2399565261 [1,1,0,0,0,0|2,0,0]=4 104 B16R2.12099 CC1=CN2C=C(N=C2C=C1)CCC(=O)O MCULE-4747353985 [1,1,0,0,0,0|1,0,0]=3 105 B16R2.12099 CC1=CN2C=C(N=C2C=C1)CCC(=O)O MCULE-9660961783 [1,1,0,0,0,0|1,0,0]=3 106 B16R2.12099 CC1=NC2=NC(=CN2C=C1)CCC(=O)O MCULE-4343443586 [1,1,0,0,0,0|2,0,0]=4 107 B16R2.3355 CC(C(=O)O)N1CC2=CC=CC=C2C1=O MCULE-9506470979 [0,1,0,0,1,0|2,0,0]=4 108 B16R2.3355 CC(C(=O)O)N1SC2=CC=CC=C2C1=O MCULE-1138703275 [0,1,0,0,1,0|2,0,0]=4 109 B16R2.3355 C[C@@H](C(=O)O)N1CC2=C(C1=O)C=CC=C2 MCULE-2644712365 [0,1,0,0,1,0|2,0,0]=4 110 B16R2.3355 C[C@@H](C(=O)O)N1SC2=CC=CC=C2C1=O MCULE-6564818505 [0,1,0,0,1,0|2,0,0]=4 111 B16R2.3355 C[C@@H](C(=O)O)N1SC2=CC=CC=C2C1=O MCULE-6797394670 [0,1,0,0,1,0|2,0,0]=4 112 B16R2.3355 C[C@H](C(=O)O)N1CC2=C(C1=O)C=CC=C2 MCULE-6440751484 [0,1,0,0,1,0|2,0,0]=4 113 B16R2.12029 NC1=CC=C2CN(C(=O)C2=C1)CC(=O)O MCULE-1866450458 [0,1,0,0,1,0|2,0,0]=4 114 B16R2.12029 O=C(O)CN1CC2=CC=C(C=C2C1=O)F MCULE-1459655588 [0,1,0,0,1,0|2,0,0]=4 115 B16R2.16183 C=C1C2=C(C=CC=C2)C(=O)N1CC(=O)O MCULE-6459001952 [0,1,0,0,1,0|2,0,0]=4 116 B16R2.16183 O=C(O)CN1C(=O)C2=C(C1=O)C=CC=C2 MCULE-5036899786 [0,1,0,0,1,0|2,0,0]=4 117 B18R2.42333 O=C(O)CCCN1C(=O)C2=C(C1=O)C=CC=C2 MCULE-1397710690 [0,1,0,0,0,1|2,0,0]=4 118 B18R2.60953 O=C(O)CCN1C(=O)CC2=C(C1=O)C=CC=C2 MCULE-4598584924 [0,1,0,0,0,1|2,0,0]=4 119 B18R2.60953 O=C(O)CCN1C(=O)NC2=CC=CC=C2C1=O MCULE-2652753506 [0,1,0,0,0,1|2,0,0]=4 120 B18R2.95330 COC(=O)CCC1=NC2=C(C=CC=C2)OC1=O MCULE-8456615172 [0,1,0,0,0,1|2,0,0]=4 121 B18R2.491264 CC1=CC=C2N=C(C(=O)OC2=C1)CCC(=O)O MCULE-7286419203 [0,1,0,0,0,1|2,0,0]=4 122 B18R2.491338 CC1=CC=C2OC(=O)C(=NC2=C1)CCC(=O)O MCULE-9162511033 [0,1,0,0,0,1|2,0,0]=4 123 B18R2.491338 O=C(O)CCC1=NC2=CC(=CC=C2OC1=O)Cl MCULE-9281372638 [0,1,0,0,0,1|2,0,0]=4 124 B18R2.2932343 CN1C(=O)C(=NC2=CC=CC=C12)CCC(=O)O MCULE-1579680807 [0,1,0,0,0,1|2,0,0]=4 125 B18R2.9347 COC(=O)CCN1N=NC2=CC=CC=C2C1=O MCULE-7087356531 [0,1,0,0,0,1|1,0,0]=3 126 B18R2.9347 NNC(=O)CCN1C=NC2=CC=CC=C2C1=O MCULE-3635453897 [0,1,0,0,0,1|2,0,0]=4 127 B18R2.9347 NNC(=O)CCN1N=CC2=CC=CC=C2C1=O MCULE-7011270254 [0,1,0,0,0,1|2,0,0]=4 128 B18R2.31513 O=C(O)CCN1C=NC2=C(C1=O)C=C(C=C2)Br MCULE-3441426919 [0,1,0,0,0,1|1,0,0]=3 129 B18R2.59637 CC1=C2N=CN(C(=O)C2=CC=C1)CCC(=O)O MCULE-1893766319 [0,1,0,0,0,1|1,0,0]=3 130 B18R2.101788 COC(=O)CCN1C(=O)C2=CC=CC=C2C1=O MCULE-1434260843 [0,2,0,0,0,0|2,0,0]=4 131 B18R2.101788 O=C(CCN1C(=O)C2=C(C1=O)C=CC=C2)NO MCULE-4942250690 [0,2,0,0,0,0|2,0,0]=4 132 B18R2.101788 O=C(CO)CCN1C(=O)C2=CC=CC=C2C1=O MCULE-6700818572 [0,2,0,0,0,0|2,0,0]=4 133 B18R2.508382 CC1=CC2=C(C=C1)C(=O)N(C2=O)CCC(=O)O MCULE-9097093960 [0,2,0,0,0,0|2,0,0]=4 134 B18R2.508382 NC1=CC2=C(C=C1)C(=O)N(C2=O)CCC(=O)O MCULE-2050443337 [0,2,0,0,0,0|2,0,0]=4 135 B18R2.508382 O=C(O)CCN1C(=O)C2=C(C1=O)C=C(C=C2)Br MCULE-8386286527 [0,2,0,0,0,0|2,0,0]=4 136 B18R2.508382 O=C(O)CCN1C(=O)C2=C(C1=O)C=C(C=C2)F MCULE-7963334774 [0,2,0,0,0,0|2,0,0]=4 137 B18R2.360904 CC(CC(=O)O)N1C(=O)C2=CC=CC=C2C1=O MCULE-9894857002 [0,2,0,0,0,0|2,0,0]=4 138 B18R2.42255 CC(O)(CN1CC2=C(C1=O)C=CC=C2)C(=O)O MCULE-8417637321 [0,2,0,0,0,0|2,0,0]=4 139 B18R2.360915 O=C(O)CCN1C(=O)C2=C(S1(=O)=O)C=CC=C2 MCULE-6360544962 [0,2,0,0,0,0|2,0,0]=4 140 B16R2.22312 CN1CC(C2=C(C1=O)C=CC=C2)C(=O)O MCULE-8408489174 [0,0,1,1,0,0|2,0,0]=4 141 B16R2.4003 O=C(O)CCC1C(=O)NC2=C1C=CC=C2 MCULE-5570047144 [0,0,1,1,0,0|2,0,0]=4 142 B16R2.4003 O=C(O)CCN1C(=O)NC2=C1C=CC=C2 MCULE-8426898486 [0,0,1,1,0,0|1,0,0]=3 143 B16R2.4003 O=C(O)CCN1C(=O)OC2=CC=CC=C12 MCULE-8455578801 [0,0,1,1,0,0|2,0,0]=4 144 B16R2.4003 O=C(O)CCN1C(=O)SC2=CC=CC=C12 MCULE-3913775175 [0,0,1,1,0,0|2,0,0]=4 145 B16R3.2752 O=C1N(N=C2N1C=CC=C2)CC3CC3 MCULE-1607133227 [1,0,0,1,0,0|1,0,1]=4 146 B16R3.20704 O=C(O)[C@H]1C[C@]12C(=O)C3=CC=CC=C23 MCULE-4803627503 [0,0,0,1,1,0|2,0,0]=4 147 B18R3.89952 O=C1CCCN2C(=O)C3=CC=CC=C3C2O1 MCULE-7662808138 [0,0,0,1,0,1|2,0,0]=4 148 B18R3.99697 O=C1C2=C(C=CC=C2)N=C3N1CCC(=N3)O MCULE-2955180271 [0,0,0,1,0,1|2,0,0]=4 149 B14R1.96 O=CC1=C(C=CC=C1)OCCC(=O)O MCULE-5025555093 [0,0,1,0,1,0|2,0,0]=4 150 B14R1.417 CN(CC(=O)O)C(=O)C1=CC=CC=C1 MCULE-1228361813 [0,0,1,0,1,0|2,0,0]=4 151 B14R1.160 CC1=C(C=CC=C1)C(=O)CCC(=O)O MCULE-2701695748 [0,0,1,0,1,0|2,0,0]=4 152 B14R1.160 CC1=C(C=CC=C1)C(=O)NCC(=O)O MCULE-6971330465 [0,0,1,0,1,0|2,0,0]=4 153 B14R1.160 NC1=C(C=CC=C1)C(=O)NCC(=O)O MCULE-6337040358 [0,0,1,0,1,0|1,0,1]=4 154 B14R1.160 NC1=C(C=CC=C1)C(=O)NCC(=O)O MCULE-7892803957 [0,0,1,0,1,0|1,0,1]=4 155 B14R1.160 O=C(O)CCC(=O)C1=C(C=CC=C1)Br MCULE-5626452166 [0,0,1,0,1,0|2,0,0]=4 156 B14R1.160 O=C(O)CCC(=O)C1=C(C=CC=C1)F MCULE-2439050217 [0,0,1,0,1,0|2,0,0]=4 157 B14R1.160 O=C(O)CCC(=O)C1=C(C=CC=C1)I MCULE-4955543307 [0,0,1,0,1,0|2,0,0]=4 158 B14R1.160 O=C(O)CCC(=O)C1=CC=CC=C1Cl MCULE-7314693029 [0,0,1,0,1,0|2,0,0]=4 159 B14R1.160 O=C(O)CNC(=O)C1=C(C=CC=C1)Cl MCULE-9247448113 [0,0,1,0,1,0|2,0,0]=4 160 B14R1.160 O=C(O)CNC(=O)C1=C(C=CC=C1)F MCULE-7821238762 [0,0,1,0,1,0|2,0,0]=4 161 B14R1.160 O=C(O)CNC(=O)C1=C(C=CC=C1)I MCULE-5889271418 [0,0,1,0,1,0|2,0,0]=4 162 B14R1.160 O=C(O)CNC(=O)C1=C(C=CC=C1)O MCULE-5194764394 [0,0,1,0,1,0|2,0,0]=4 163 B14R1.160 O=C(O)CNC(=O)C1=CC=CC=C1Br MCULE-1952492828 [0,0,1,0,1,0|2,0,0]=4 164 B14R2.768 O=C(O)CC1=CN2C=CC=CC2=N1 MCULE-1678874638 [1,0,0,0,1,0|1,0,0]=3 165 B14R2.768 O=C(O)CC1=CN2C=CC=CC2=N1 MCULE-3871800479 [1,0,0,0,1,0|1,0,0]=3 166 B14R2.768 O=C(O)CC1=CN2C=CC=NC2=N1 MCULE-3382776906 [1,0,0,0,1,0|2,0,0]=4 167 B14R2.768 O=C(O)CC1=CN2C=CC=NC2=N1 MCULE-4895285734 [1,0,0,0,1,0|2,0,0]=4 168 B14R2.768 O=C(O)CN1C=C2C=CC=CC2=N1 MCULE-9625173353 [1,0,0,0,1,0|1,0,0]=3 169 B14R2.768 O=C(O)CN1N=C2C=CC=CC2=N1 MCULE-7573013153 [1,0,0,0,1,0|2,0,0]=4 170 B14R2.770 O=C(O)CCC1=CN2C=CSC2=N1 MCULE-2667654032 [1,0,0,0,1,0|2,0,0]=4 171 B14R2.770 O=C(O)CCC1=CN2C=CSC2=N1 MCULE-3130213626 [1,0,0,0,1,0|2,0,0]=4 172 B14R2.450 CC1=C(N=C2N1C=CC=C2)C(=O)O MCULE-4453559837 [0,0,0,0,2,0|2,0,0]=4 173 B14R2.450 O=C(O)C1=C(N2C=CC=CC2=N1)Br MCULE-7289374427 [0,0,0,0,2,0|2,0,0]=4 174 B14R2.450 O=C(O)C1=C(N2C=CC=CC2=N1)Cl MCULE-3703711244 [0,0,0,0,2,0|2,0,0]=4 175 B14R2.450 O=C(O)C1=C(N2C=CC=CC2=N1)F MCULE-1146020125 [0,0,0,0,2,0|2,0,0]=4 176 B14R2.450 O=C(O)C1=C(N2C=CC=CC2=N1)F MCULE-1947781628 [0,0,0,0,2,0|2,0,0]=4 177 B14R2.450 O=C(O)C1=C(N2C=CC=CC2=N1)I MCULE-2847493000 [0,0,0,0,2,0|2,0,0]=4 178 B16R1.10817 O=C(O)CCCNC(=O)C1=C(C=CC=C1)Br MCULE-7765466387 [0,0,1,0,0,1|2,0,0]=4 179 B16R1.10817 O=C(O)CCCNC(=O)C1=CC=CC=C1Cl MCULE-5418059444 [0,0,1,0,0,1|2,0,0]=4 180 B16R2.2942 O=C1C2=CC=CC=C2N=CN1CCCO MCULE-4093834788 [1,0,0,0,0,1|1,0,1]=4 181 B16R2.492 CC(=O)NCCC1=CN2C=CC=CC2=N1 MCULE-9604237363 [1,0,0,0,0,1|2,0,0]=4 182 B16R2.492 O=C(O)CCCN1N=C2C=CC=CC2=N1 MCULE-4150027176 [1,0,0,0,0,1|2,0,0]=4 183 B16R2.3989 O=C(O)CN1CC2=C(C=CC=C2)OC1=O MCULE-1569463982 [0,0,0,0,1,1|2,0,0]=4 184 B18R2.4835 O=C(O)CCCCN1CC2=CC=CC=C2C1=O MCULE-7498265873 [0,0,0,0,0,2|2,0,0]=4 185 B18R2.63530 O=C(O)COCC1=NC2=C(C=CC=C2)C(=O)N1 MCULE-3179222131 [0,0,0,0,0,2|2,0,0]=4 186 B18R2.282514 O=C(O)CCCN1C=NC2=CC=CC=C2C1=O MCULE-9204916065 [0,0,0,0,0,2|1,0,0]=3 187 B18R2.282514 O=C(O)CCCN1N=NC2=CC=CC=C2C1=O MCULE-6772218841 [0,0,0,0,0,2|1,0,0]=3