0 B15R2.1428 CCC/C=C/1\OC(=O)C2=C1CCC=C2 MCULE-9396904824 [0,0,0,0,0,0|0,0,2]=2 1 B15R2.1428 CCC/C=C/1\OC(=O)C2=CC=CC=C12 MCULE-8062597919 [0,0,0,0,0,0|0,0,0]=0 2 B15R2.1428 CCCC=C1OC(=O)C2=C1C=CC=C2 MCULE-6613339699 [0,0,0,0,0,0|0,0,0]=0 3 B15R2.1428 CCCC=C1OC(=O)C2=C1CCC=C2 MCULE-1530856577 [0,0,0,0,0,0|0,0,2]=2 4 B15R2.1428 CCCCC1OC(=O)C2=C1C=CC=C2 MCULE-8188120065 [0,0,0,0,0,0|0,0,2]=2 5 B15R2.1428 CCCCC1OC(=O)C2=C1CCC=C2 MCULE-9958013133 [0,0,0,0,0,0|0,0,4]=4 6 B15R2.1428 CCCC[C@@H]1OC(=O)C2=C1C=CC=C2 MCULE-9593712244 [0,0,0,0,0,0|0,0,2]=2 7 B15R2.1428 CCCC[C@@H]1OC(=O)C2=C1CCC=C2 MCULE-6189566199 [0,0,0,0,0,0|0,0,4]=4 8 B15R2.1428 CCCC[C@@H]1OC(=O)C2=C1CCC=C2 MCULE-8952317949 [0,0,0,0,0,0|0,0,4]=4 9 B15R2.1428 CCCC[C@@H]1OC(=O)C2=CC=CC=C12 MCULE-7144582199 [0,0,0,0,0,0|0,0,2]=2 10 B15R2.1428 CCCOC1OC(=O)C2=C1C=CC=C2 MCULE-5925421279 [0,0,0,0,0,0|1,0,1]=2 11 B15R2.1428 CON=CC1SC(=O)C2=C1C=CC=C2 MCULE-7458974185 [0,0,0,0,0,0|2,1,1]=4 12 B14R2.3 CCCCN1C=CC2=CC=CC=C12 MCULE-5111709732 [1,0,0,0,0,0|2,0,1]=4 13 B14R2.510 CC/C=C/1\OC(=O)C2=CC=CC=C12 MCULE-5752639722 [1,0,0,0,0,0|0,0,0]=1 14 B14R2.510 CCC=C1OC(=O)C2=CC=CC=C12 MCULE-5371579510 [1,0,0,0,0,0|0,0,0]=1 15 B14R2.510 CCCN1N=C(C2=C1C=CC=C2)N MCULE-8611032684 [1,0,0,0,0,0|3,0,0]=4 16 B14R2.510 CCCN1NC(=O)C2=C1N=CC=C2 MCULE-2422656961 [1,0,0,0,0,0|3,0,0]=4 17 B14R2.510 CCOC1NC(=O)C2=C1C=CC=C2 MCULE-4227738306 [1,0,0,0,0,0|2,0,1]=4 18 B14R2.510 CCOC1OC(=O)C2=C1C=CC=C2 MCULE-7262983965 [1,0,0,0,0,0|1,0,1]=3 19 B14R2.510 CCOC1OC(=O)C2=C1C=CN=C2 MCULE-9059617587 [1,0,0,0,0,0|2,0,1]=4 20 B14R2.510 CCOC1OC(=O)C2=NC=CC=C12 MCULE-8102734686 [1,0,0,0,0,0|2,0,1]=4 21 B16R2.30799 CCCCN1C(=O)C(=O)C2=C1C=CC=C2 MCULE-8579127841 [0,1,0,0,0,0|2,0,1]=4 22 B16R2.31634 CCCCN1C=C(C2=CC=CC=C12)C=O MCULE-8741839495 [0,1,0,0,0,0|2,0,1]=4 23 B16R2.33556 CCC(O)/C=C/1\OC(=O)C2=C1CCC=C2 MCULE-9728497946 [0,1,0,0,0,0|0,0,2]=3 24 B16R2.33556 CCC(O)C=C1OC(=O)C2=C1C=CC=C2 MCULE-5633068260 [0,1,0,0,0,0|0,0,0]=1 25 B16R2.154585 CCCC(=O)C1=CN(C2=C1C=CC=C2)C MCULE-8095711659 [0,1,0,0,0,0|3,0,0]=4 26 B16R2.165527 CCC/C=C/1\OC(=O)C2=C1C=C(C=C2)O MCULE-4519920159 [0,1,0,0,0,0|0,0,0]=1 27 B16R2.165527 CCCC=C1OC(=O)C2=CC=C(C=C12)O MCULE-5810657322 [0,1,0,0,0,0|0,0,0]=1 28 B14R1.38 CCCCCCC(=O)C1=CC=CC=C1 MCULE-1669508109 [0,0,1,0,0,0|1,0,2]=4 29 B14R1.38 CCCCCOC(=O)C1=CC=CC=C1 MCULE-1081515366 [0,0,1,0,0,0|0,0,2]=3 30 B14R1.38 CCCCSCC(=O)C1=CC=CC=C1 MCULE-2084167498 [0,0,1,0,0,0|2,0,1]=4 31 B14R1.38 CCOCCOC(=O)C1=CC=CC=C1 MCULE-5785221843 [0,0,1,0,0,0|1,0,2]=4 32 B14R1.38 CNCCCOC(=O)C1=CC=CC=C1 MCULE-5407083234 [0,0,1,0,0,0|1,0,2]=4 33 B14R1.38 CNCCCOC(=O)C1=CC=CC=C1 MCULE-7712590494 [0,0,1,0,0,0|1,0,2]=4 34 B14R1.38 NCCCCOC(=O)C1=CC=CC=C1 MCULE-2585809213 [0,0,1,0,0,0|1,0,2]=4 35 B14R1.38 O=C(OCCCCCl)C1=CC=CC=C1 MCULE-9964532330 [0,0,1,0,0,0|1,0,2]=4 36 B14R1.38 O=C(OCCCCI)C1=CC=CC=C1 MCULE-5420944492 [0,0,1,0,0,0|1,0,2]=4 37 B14R1.38 O=C(OCCCCO)C1=CC=CC=C1 MCULE-7768614874 [0,0,1,0,0,0|1,0,2]=4 38 B14R1.38 O=C(ONCCCCl)C1=CC=CC=C1 MCULE-8118275142 [0,0,1,0,0,0|2,0,1]=4 39 B14R1.903 CCCCNC1=C(C=CC=N1)C(=O)O MCULE-7063162334 [0,0,1,0,0,0|2,0,1]=4 40 B14R1.903 CCCCNC1=CC=CC=C1C(=O)O MCULE-5804543532 [0,0,1,0,0,0|1,0,1]=3 41 B14R1.903 CCCCOC1=C(C=CC=C1)C(=O)Cl MCULE-7987200887 [0,0,1,0,0,0|2,0,1]=4 42 B14R1.903 CCCCOC1=CC=CC=C1C(=O)C MCULE-3679722833 [0,0,1,0,0,0|2,0,1]=4 43 B14R1.903 CCCCOC1=CC=CC=C1C(=O)O MCULE-1629628067 [0,0,1,0,0,0|1,0,1]=3 44 B14R1.903 CCCCOC1=NC=CC=C1C(=O)O MCULE-6001673419 [0,0,1,0,0,0|2,0,1]=4 45 B14R1.903 CCCCSC1=C(C=CC=C1)C(=O)C MCULE-3637333747 [0,0,1,0,0,0|2,0,1]=4 46 B14R1.903 CCCCSC1=C(C=CC=C1)C(=O)Cl MCULE-9079945176 [0,0,1,0,0,0|2,0,1]=4 47 B14R1.903 CCCCSC1=C(C=CC=C1)C(=O)O MCULE-6465717857 [0,0,1,0,0,0|1,0,1]=3 48 B14R1.903 CCCCSC1=CC=CC=C1C(=O)N MCULE-7889882768 [0,0,1,0,0,0|2,0,1]=4 49 B14R1.903 COCCOC1=C(C=CC=C1)C(=O)O MCULE-3683927750 [0,0,1,0,0,0|2,0,1]=4 50 B14R1.903 COCCSC1=C(C=CC=C1)C(=O)O MCULE-7151836758 [0,0,1,0,0,0|2,0,1]=4 51 B16R3.20606 O=C1C2=C(C=CC=C2)C3=NCCCN13 MCULE-1477702788 [0,0,0,1,0,0|2,0,0]=3 52 B16R3.20606 O=C1C2=C(C=CC=C2)C3N1CCCO3 MCULE-7550422527 [0,0,0,1,0,0|2,0,1]=4 53 B16R3.20606 O=C1C2=CC=CC=C2C3C1CCCC3 MCULE-1926713563 [0,0,0,1,0,0|1,0,2]=4 54 B16R3.20606 O=C1C2=CC=CC=C2C3N1CCCN3 MCULE-9454063831 [0,0,0,1,0,0|2,0,1]=4 55 B16R2.1054 CCCCC1=CC(=C2C=CC=CC2=N1)Cl MCULE-8240823196 [0,0,0,0,0,1|2,0,1]=4 56 B16R2.1054 CCCCC1=CC(=O)C2=C(N1)C=CC=C2 MCULE-8655182312 [0,0,0,0,0,1|1,0,1]=3 57 B16R2.1054 CCCNC1=NC2=C(C=CC=C2)C(=N1)N MCULE-3315592832 [0,0,0,0,0,1|3,0,0]=4 58 B16R2.1054 CCCOC1=CC(=O)N2C=CC=CC2=N1 MCULE-5433076717 [0,0,0,0,0,1|3,0,0]=4 59 B16R2.1054 CCCSC1=NC2=C(C=CC=C2)C(=O)N1 MCULE-4027521602 [0,0,0,0,0,1|2,0,0]=3 60 B16R2.12192 CCCNC1=NN=C(C2=CC=CC=C12)Cl MCULE-3392043922 [0,0,0,0,0,1|3,0,0]=4 61 B16R2.12202 CCCNC1=CC(=O)OC2=CC=CC=C12 MCULE-6041951091 [0,0,0,0,0,1|2,0,0]=3 62 B16R2.12202 CCCNC1=NC(=NC2=CC=CC=C12)Cl MCULE-2111289561 [0,0,0,0,0,1|3,0,0]=4 63 B16R2.12202 CCCOC1=CC(=O)NC2=C1C=CC=C2 MCULE-7445104655 [0,0,0,0,0,1|2,0,0]=3 64 B16R2.12202 O=C1C=C(C2=CC=CC=C2O1)NCCO MCULE-7647839206 [0,0,0,0,0,1|3,0,0]=4 65 B13R1.24 CCCCCC(=O)C1=CC=CC=C1 MCULE-4945537209 [1,0,1,0,0,0|0,0,2]=4 66 B13R1.24 CCCCNC(=O)C1=CC=CC=C1 MCULE-8546561963 [1,0,1,0,0,0|1,0,1]=4 67 B13R1.24 CCCCOC(=O)C1=CC=CC=C1 MCULE-4166908075 [1,0,1,0,0,0|0,0,1]=3 68 B13R1.24 CCCCOC(=O)C1=CC=CC=N1 MCULE-1070253264 [1,0,1,0,0,0|1,0,1]=4 69 B13R1.24 CCCCOC(=O)C1=CC=CN=C1 MCULE-7839997831 [1,0,1,0,0,0|1,0,1]=4 70 B13R1.24 CCCCOC(=O)C1=CC=NC=C1 MCULE-4529117916 [1,0,1,0,0,0|1,0,1]=4 71 B13R1.24 CCCCSC(=O)C1=CC=CC=C1 MCULE-6520324020 [1,0,1,0,0,0|0,1,1]=4 72 B13R1.24 O=C(OCCCCl)C1=CC=CC=C1 MCULE-1095436278 [1,0,1,0,0,0|1,0,1]=4 73 B13R1.84 CCCCOC1=CC=CC=C1C=O MCULE-9404869631 [1,0,1,0,0,0|1,0,1]=4 74 B13R1.84 CCCCSC1=C(C=CC=C1)C=O MCULE-4620642412 [1,0,1,0,0,0|1,0,1]=4 75 B13R1.84 CCCOCC1=C(C=CC=C1)C=O MCULE-3457133591 [1,0,1,0,0,0|1,0,1]=4 76 B13R1.572 CCCNC1=C(C=CC=C1)C(=O)O MCULE-2686863166 [1,0,1,0,0,0|1,0,0]=3 77 B13R1.572 CCCNC1=C(C=CC=N1)C(=O)O MCULE-8200252997 [1,0,1,0,0,0|2,0,0]=4 78 B13R1.572 CCCOC1=C(C=CC=C1)C(=O)Cl MCULE-8210790334 [1,0,1,0,0,0|2,0,0]=4 79 B13R1.572 CCCOC1=C(C=CC=C1)C(=O)O MCULE-4040231132 [1,0,1,0,0,0|1,0,0]=3 80 B13R1.572 CCCOC1=C(C=CC=N1)C(=O)O MCULE-2016017979 [1,0,1,0,0,0|2,0,0]=4 81 B13R1.572 CCCOC1=C(N=CC=C1)C(=O)O MCULE-3598840448 [1,0,1,0,0,0|2,0,0]=4 82 B13R1.572 CCCOC1=CC=CC=C1C(=O)C MCULE-3884621389 [1,0,1,0,0,0|2,0,0]=4 83 B13R1.572 CCCOC1=CC=CC=C1C(=O)N MCULE-3029543543 [1,0,1,0,0,0|2,0,0]=4 84 B13R1.572 CCCSC1=C(C=CC=C1)C(=O)C MCULE-3953451992 [1,0,1,0,0,0|2,0,0]=4 85 B13R1.572 CCCSC1=C(C=CC=C1)C(=O)Cl MCULE-5010866395 [1,0,1,0,0,0|2,0,0]=4 86 B13R1.572 CCCSC1=C(C=CC=C1)C(=O)N MCULE-6795941589 [1,0,1,0,0,0|2,0,0]=4 87 B13R1.572 CCCSC1=C(C=CC=C1)C(=O)O MCULE-6053101485 [1,0,1,0,0,0|1,0,0]=3 88 B13R1.572 CCCSC1=C(C=CC=N1)C(=O)O MCULE-9640193622 [1,0,1,0,0,0|2,0,0]=4 89 B13R1.572 CCNCC1=C(C=CC=C1)C(=O)O MCULE-4361791787 [1,0,1,0,0,0|1,0,1]=4 90 B13R1.572 CCNCC1=C(C=CC=C1)C(=O)O MCULE-6028265223 [1,0,1,0,0,0|1,0,1]=4 91 B13R1.572 CCOCC1=CC=CC=C1C(=O)O MCULE-7012384334 [1,0,1,0,0,0|1,0,1]=4 92 B13R1.572 CCSCC1=C(C=CC=C1)C(=O)O MCULE-1032867479 [1,0,1,0,0,0|1,0,1]=4 93 B13R1.572 COCCC1=C(C=CC=C1)C(=O)O MCULE-4800031009 [1,0,1,0,0,0|1,0,1]=4 94 B13R1.572 NCCNC1=CC=CC=C1C(=O)O MCULE-1486888569 [1,0,1,0,0,0|2,0,0]=4 95 B13R1.572 NCCNC1=CC=CC=C1C(=O)O MCULE-5947576201 [1,0,1,0,0,0|2,0,0]=4 96 B13R1.572 NCCSC1=CC=CC=C1C(=O)O MCULE-4576165477 [1,0,1,0,0,0|2,0,0]=4 97 B13R1.572 NCCSC1=CC=CC=C1C(=O)O MCULE-7455628895 [1,0,1,0,0,0|2,0,0]=4 98 B13R1.572 O=C(O)C1=C(C=CC=C1)NCCO MCULE-8120654197 [1,0,1,0,0,0|2,0,0]=4 99 B13R1.572 O=C(O)C1=C(C=CC=C1)OCCO MCULE-7898157705 [1,0,1,0,0,0|2,0,0]=4 100 B13R1.572 O=C(O)C1=C(C=CC=C1)SCCO MCULE-5541181003 [1,0,1,0,0,0|2,0,0]=4 101 B13R1.572 O=C(O)C1=CC=CC=C1OCCF MCULE-6186730357 [1,0,1,0,0,0|2,0,0]=4 102 B13R1.464 CCNC(=O)C1=C(C=CC=C1)C=O MCULE-2748975646 [1,0,1,0,0,0|1,0,1]=4 103 B13R1.464 CCOC(=O)C1=CC=CC=C1C=O MCULE-9362289485 [1,0,1,0,0,0|1,0,1]=4 104 B13R2.1 CCCN1C=CC2=C1C=CC=C2 MCULE-1860139388 [2,0,0,0,0,0|2,0,0]=4 105 B13R2.2931 CC=C1OC(=O)C2=C1C=CC=C2 MCULE-2357843157 [2,0,0,0,0,0|0,0,0]=2 106 B13R2.2931 CCC1OC(=O)C2=CC=CC=C12 MCULE-1312406335 [2,0,0,0,0,0|0,0,1]=3 107 B13R2.2931 CC[N+]1=C2C=CC=CC2=C(O1)C MCULE-8858196930 [2,0,0,0,0,0|2,0,0]=4 108 B13R2.2931 CC[N+]1=C2C=CC=CC2=C(O1)C MCULE-8872399397 [2,0,0,0,0,0|2,0,0]=4 109 B13R2.2931 COC1OC(=O)C2=CC=CC=C12 MCULE-9023770050 [2,0,0,0,0,0|1,0,1]=4 110 B13R2.2931 CO[IH2]1OC(=O)C2=CC=CC=C12 MCULE-2735362379 [2,0,0,0,0,0|2,0,0]=4 111 B13R2.2931 NCC1OC(=O)C2=CC=CC=C12 MCULE-2945986135 [2,0,0,0,0,0|1,0,1]=4 112 B13R2.2931 NCC1OC(=O)C2=CC=CC=C12 MCULE-5686972056 [2,0,0,0,0,0|1,0,1]=4 113 B15R1.30 CCCC=NNC(=O)C1=CC=C(C=C1)Br MCULE-9347378128 [0,1,1,0,0,0|2,0,0]=4 114 B15R1.30 CCCC=NNC(=O)C1=CC=C(C=C1)Cl MCULE-7767444630 [0,1,1,0,0,0|2,0,0]=4 115 B15R1.30 CCCC=NNC(=O)C1=CC=C(C=C1)F MCULE-4174882306 [0,1,1,0,0,0|2,0,0]=4 116 B15R1.30 CCCC=NNC(=O)C1=CC=C(C=C1)O MCULE-5861830264 [0,1,1,0,0,0|2,0,0]=4 117 B15R1.30 CCCCCOC(=O)C1=CC=C(C=C1)N MCULE-5550733483 [0,1,1,0,0,0|0,0,2]=4 118 B15R1.30 CCCCCOC(=O)C1=CC=C(C=C1)O MCULE-2497088977 [0,1,1,0,0,0|0,0,2]=4 119 B15R1.31 CCCC=NNC(=O)C1=CC(=CC=C1)Br MCULE-7351791258 [0,1,1,0,0,0|2,0,0]=4 120 B15R1.31 CCCC=NNC(=O)C1=CC(=CC=C1)F MCULE-3402200167 [0,1,1,0,0,0|2,0,0]=4 121 B15R1.31 CCCC=NNC(=O)C1=CC(=CC=C1)O MCULE-8834896239 [0,1,1,0,0,0|2,0,0]=4 122 B15R1.31 CCCCCOC(=O)C1=CC(=CC=C1)F MCULE-9080775336 [0,1,1,0,0,0|0,0,2]=4 123 B15R1.89 CCCC(=O)NNC(=O)C1=CC=CC=C1 MCULE-9401408010 [0,1,1,0,0,0|2,0,0]=4 124 B15R1.89 CCCC(C)COC(=O)C1=CC=CC=C1 MCULE-3987281972 [0,1,1,0,0,0|0,0,2]=4 125 B15R1.89 CCOC(=O)/C=C/C(=O)C1=CC=CC=C1 MCULE-3474774764 [0,1,1,0,0,0|2,0,0]=4 126 B15R1.89 CCOC(=O)C=CC(=O)C1=CC=CC=C1 MCULE-7052900391 [0,1,1,0,0,0|2,0,0]=4 127 B15R1.115 CCCNC(=S)NC(=O)C1=CC=CC=C1 MCULE-1647334856 [0,1,1,0,0,0|2,0,0]=4 128 B15R1.138 CC/C=C\CCOC(=O)C1=CC=CC=C1 MCULE-5587268407 [0,1,1,0,0,0|0,0,2]=4 129 B15R1.138 CCC=CCCOC(=O)C1=CC=CC=C1 MCULE-9732128160 [0,1,1,0,0,0|0,0,2]=4 130 B15R1.138 CCCCC=NNC(=O)C1=CC=CC=C1 MCULE-5030079989 [0,1,1,0,0,0|1,0,1]=4 131 B15R1.138 CCCCCCOC(=O)C1=CC=CC=C1 MCULE-7298810356 [0,1,1,0,0,0|0,0,2]=4 132 B15R1.138 O=C(OCCCCCCl)C1=CC=CC=C1 MCULE-7293442829 [0,1,1,0,0,0|0,0,2]=4 133 B15R1.3965 CCCC=NNC(=O)C1=C(C=CC=C1)C MCULE-2055810897 [0,1,1,0,0,0|2,0,0]=4 134 B15R1.3965 CCCC=NNC(=O)C1=C(C=CC=C1)Cl MCULE-3137545471 [0,1,1,0,0,0|2,0,0]=4 135 B15R1.3965 CCCC=NNC(=O)C1=C(C=CC=C1)O MCULE-8457326895 [0,1,1,0,0,0|2,0,0]=4 136 B15R1.3965 CCCCCOC(=O)C1=CC=CC=C1O MCULE-4826331746 [0,1,1,0,0,0|0,0,2]=4 137 B15R1.241 CCCCCNC1=CC=CC=C1C(=O)O MCULE-2600087812 [0,1,1,0,0,0|0,0,2]=4 138 B15R1.241 CCCCCOC1=CC=CC=C1C(=O)O MCULE-6863253946 [0,1,1,0,0,0|0,0,2]=4 139 B15R1.241 CCCCCSC1=C(C=CC=C1)C(=O)O MCULE-1834743853 [0,1,1,0,0,0|0,0,2]=4 140 B15R1.241 CCOCCOC1=C(C=CC=C1)C(=O)O MCULE-9602431739 [0,1,1,0,0,0|1,0,1]=4 141 B15R1.559 CCCCNC1=CC=C(C=C1C(=O)O)Br MCULE-8252283426 [0,1,1,0,0,0|1,0,1]=4 142 B15R1.559 CCCCOC1=C(C=C(C=C1)F)C(=O)O MCULE-1372018063 [0,1,1,0,0,0|1,0,1]=4 143 B15R1.559 CCCCOC1=CC=C(C=C1C(=O)O)Br MCULE-3434837975 [0,1,1,0,0,0|1,0,1]=4 144 B15R1.559 CCCCOC1=CC=C(C=C1C(=O)O)C MCULE-9295686716 [0,1,1,0,0,0|1,0,1]=4 145 B15R1.559 CCCCOC1=CC=C(C=C1C(=O)O)Cl MCULE-9305419848 [0,1,1,0,0,0|1,0,1]=4 146 B15R1.559 CCCCOC1=CC=C(C=C1C(=O)O)N MCULE-5607116364 [0,1,1,0,0,0|1,0,1]=4 147 B15R1.559 CCCCSC1=C(C=C(C=C1)Cl)C(=O)O MCULE-2220749220 [0,1,1,0,0,0|1,0,1]=4 148 B15R1.1159 CCCCOC1=C(C=CC(=C1)Br)C(=O)O MCULE-7782439971 [0,1,1,0,0,0|1,0,1]=4 149 B15R1.1159 CCCCOC1=CC(=CC=C1C(=O)O)F MCULE-4457597368 [0,1,1,0,0,0|1,0,1]=4 150 B15R1.1191 CCCCNC1=C(C=CC=C1)C(=O)OC MCULE-6061641264 [0,1,1,0,0,0|1,0,1]=4 151 B15R1.1239 CCCCC(O)C1=CC=CC=C1C(=O)O MCULE-5284879134 [0,1,1,0,0,0|0,0,2]=4 152 B15R1.1239 CCCC[C@@H](N)C1=CC=CC=C1C(=O)O MCULE-3628294302 [0,1,1,0,0,0|0,0,2]=4 153 B15R1.1239 CCCC[C@@H](N)C1=CC=CC=C1C(=O)O MCULE-5807804563 [0,1,1,0,0,0|0,0,2]=4 154 B15R1.1239 CCCC[C@H](N)C1=CC=CC=C1C(=O)O MCULE-5534457558 [0,1,1,0,0,0|0,0,2]=4 155 B15R1.1239 CCCC[C@H](N)C1=CC=CC=C1C(=O)O MCULE-7990598653 [0,1,1,0,0,0|0,0,2]=4 156 B15R1.1239 O=C(O)C1=C(C=CC=C1)C(=O)NCCO MCULE-9013972677 [0,1,1,0,0,0|2,0,0]=4 157 B15R1.1239 O=C(O)C1=C(C=CC=C1)C(=O)OCCO MCULE-7534953084 [0,1,1,0,0,0|2,0,0]=4 158 B15R1.1274 CCCC(=O)NC1=C(C=CC=C1)C(=O)C MCULE-6589116472 [0,1,1,0,0,0|2,0,0]=4 159 B15R1.1274 CCCC(=O)NC1=CC=CC=C1C(=O)N MCULE-3952992358 [0,1,1,0,0,0|2,0,0]=4 160 B15R1.1274 CCCC(=O)NC1=CC=CC=C1C(=O)O MCULE-4925716561 [0,1,1,0,0,0|1,0,0]=3 161 B15R1.1274 CCNC(=O)NC1=C(C=CC=C1)C(=O)O MCULE-5873673343 [0,1,1,0,0,0|2,0,0]=4 162 B15R1.1274 CCOC(=O)NC1=CC=CC=C1C(=O)O MCULE-2925362014 [0,1,1,0,0,0|2,0,0]=4 163 B15R1.1274 CNCC(=O)NC1=C(C=CC=C1)C(=O)O MCULE-5565425641 [0,1,1,0,0,0|2,0,0]=4 164 B15R1.1274 CNCC(=O)NC1=C(C=CC=C1)C(=O)O MCULE-6813730476 [0,1,1,0,0,0|2,0,0]=4 165 B15R1.1274 COCC(=O)NC1=CC=CC=C1C(=O)O MCULE-8711383028 [0,1,1,0,0,0|2,0,0]=4 166 B15R1.1274 O=C(CCCl)NC1=C(C=CC=C1)C(=O)O MCULE-6436435769 [0,1,1,0,0,0|2,0,0]=4 167 B15R1.4455 CCCC=CC1=CC=CC(=C1C(=O)N)F MCULE-5704302558 [0,1,1,0,0,0|1,0,0]=3 168 B15R1.4455 CCCCOC1=CC=CC(=C1C(=O)O)F MCULE-9509621142 [0,1,1,0,0,0|1,0,1]=4 169 B15R1.8882 CC(C)CCOC1=C(C=CC=C1)C(=O)O MCULE-5114160061 [0,1,1,0,0,0|1,0,1]=4 170 B15R1.8882 CC(C)CCSC1=C(C=CC=C1)C(=O)O MCULE-7006318672 [0,1,1,0,0,0|1,0,1]=4 171 B15R1.86 CC(C)COC(=O)C1=CC=CC=C1C=O MCULE-8295931090 [0,1,1,0,0,0|1,0,1]=4 172 B15R2.73 CCCC(=O)C1=CNC2=C1C=CC=C2 MCULE-8914700052 [1,1,0,0,0,0|2,0,0]=4 173 B15R2.73 CCCC(=O)C1=CSC2=C1C=CC=C2 MCULE-7361609023 [1,1,0,0,0,0|2,0,0]=4 174 B15R2.73 CCOC(=O)C1=C2C=CC=CC2=CN1 MCULE-1491956319 [1,1,0,0,0,0|2,0,0]=4 175 B15R2.10698 CCCN1C(=O)C(=O)C2=CC=CC=C12 MCULE-1980464560 [1,1,0,0,0,0|2,0,0]=4 176 B15R2.11492 CCCN1C=C(C2=CC=CC=C12)C=O MCULE-1238893677 [1,1,0,0,0,0|2,0,0]=4 177 B15R2.53147 CC(=O)CC1OC(=O)C2=C1C=CC=C2 MCULE-4960501516 [1,1,0,0,0,0|0,0,2]=4 178 B15R2.53147 CC(C)OC1OC(=O)C2=C1C=CC=C2 MCULE-2202341092 [1,1,0,0,0,0|1,0,1]=4 179 B15R2.53147 CN(C)C=C1OC(=O)C2=C1C=CC=C2 MCULE-4067985680 [1,1,0,0,0,0|1,0,0]=3 180 B15R2.53147 CN(C)C=C1SC(=O)C2=C1C=CC=C2 MCULE-9156014787 [1,1,0,0,0,0|1,1,0]=4 181 B15R2.53147 NC(=O)C=C1OC(=O)C2=CC=CC=C12 MCULE-7141230271 [1,1,0,0,0,0|1,0,1]=4 182 B15R2.53147 O=C(O)/C=C/1\OC(=O)C2=CC=CC=C12 MCULE-5119009909 [1,1,0,0,0,0|1,0,1]=4 183 B15R2.53147 O=C(O)C=C1OC(=O)C2=CC=CC=C12 MCULE-4693473933 [1,1,0,0,0,0|1,0,1]=4 184 B17R2.12072 CC=CC=CC1=NC2=CC=CC=C2C(=O)O1 MCULE-1528848242 [0,1,0,0,0,1|0,0,2]=4 185 B17R2.12072 CCCCCC1=CC(=O)C2=C(N1)C=CC=C2 MCULE-6533022639 [0,1,0,0,0,1|1,0,1]=4 186 B17R2.12072 NCCCNC1=CC(=O)C2=C(N1)C=CC=C2 MCULE-1393595503 [0,1,0,0,0,1|2,0,0]=4 187 B17R2.12072 O=C1NC(=NC2=C1C=CC=C2)NCCCO MCULE-8633587787 [0,1,0,0,0,1|2,0,0]=4 188 B17R2.40403 CC(C)COC1=NC2=C(C=CC=C2)C(=O)O1 MCULE-8754983213 [0,1,0,0,0,1|1,0,0]=3 189 B17R2.40403 CC(C)COC1=[NH+]C2=C(C=CC=C2)C(=O)O1 MCULE-9055487367 [0,1,0,0,0,1|1,0,0]=3 190 B17R2.49938 CCNC(=O)C1=NC2=CC=CC=C2C(=O)N1 MCULE-3756673201 [0,1,0,0,0,1|2,0,0]=4 191 B17R2.49938 CCOC(=O)C1=CC(=O)C2=C(O1)C=CC=C2 MCULE-6263079623 [0,1,0,0,0,1|2,0,0]=4 192 B17R2.49938 CCOC(=O)C1=CC(=O)C2=CC=CC=C2N1 MCULE-4422178179 [0,1,0,0,0,1|2,0,0]=4 193 B17R2.49938 CCOC(=O)C1=CC2=C(C=CC=C2)C(=O)N1 MCULE-2176407047 [0,1,0,0,0,1|2,0,0]=4 194 B17R2.49938 CCOC(=O)C1=CC2=C(C=NC=C2)C(=O)O1 MCULE-1706279699 [0,1,0,0,0,1|2,0,0]=4 195 B17R2.49938 CCOC(=O)C1=CC2=CC=CC=C2C(=O)S1 MCULE-9285190839 [0,1,0,0,0,1|1,1,0]=4 196 B17R2.49938 CCOC(=O)C1CC2=C(C=CC=C2)C(=O)O1 MCULE-9844287193 [0,1,0,0,0,1|1,0,1]=4 197 B17R2.49938 CCSC(=O)C1=CC(=O)C2=C(O1)C=CC=C2 MCULE-4572872169 [0,1,0,0,0,1|2,0,0]=4 198 B17R2.56295 CCCNC1=NC2=C(C=C(C=C2)C)C(=O)N1 MCULE-8540574394 [0,1,0,0,0,1|2,0,0]=4 199 B17R2.56354 CCCCC1=NC2=CC=CC=C2C(=O)N1N MCULE-4894399756 [0,1,0,0,0,1|1,0,1]=4 200 B17R2.56354 CCCSC1=NC2=C(C=CC=C2)C(=O)N1C MCULE-2866294013 [0,1,0,0,0,1|2,0,0]=4 201 B17R2.56354 CCCSC1=NC2=CC=CC=C2C(=O)N1N MCULE-4229372000 [0,1,0,0,0,1|2,0,0]=4 202 B17R2.57534 CCC(C)SC1=NC(=O)C2=CC=CC=C2N1 MCULE-2118904453 [0,1,0,0,0,1|2,0,0]=4 203 B17R2.50010 CCCC(=O)C1=C2C=CC=CC2=C(C=C1)C MCULE-3716603812 [0,1,0,0,0,1|2,0,0]=4 204 B17R2.50010 CCCC(=O)C1=C2C=CC=CC2=C(C=C1)F MCULE-6519170092 [0,1,0,0,0,1|2,0,0]=4 205 B17R2.50010 CCNC(=O)C1=NNC(=O)C2=C1C=CC=C2 MCULE-2132020768 [0,1,0,0,0,1|2,0,0]=4 206 B17R2.50010 CCOC(=O)C1=NNC(=O)C2=C1C=CC=C2 MCULE-2859617073 [0,1,0,0,0,1|2,0,0]=4 207 B17R2.345886 CCCOC1=CC=C(C2=CC=CC=C12)C=O MCULE-4254946618 [0,1,0,0,0,1|2,0,0]=4 208 B17R2.5014 CC(O)CNC1=CC(=O)OC2=CC=CC=C12 MCULE-1574355697 [0,1,0,0,0,1|2,0,0]=4 209 B17R2.12128 CCCCNC1=CC(=O)OC2=CC=CC=C12 MCULE-4940748687 [0,1,0,0,0,1|1,0,1]=4 210 B17R2.12128 O=C1C=C(C2=C(O1)C=CC=C2)NCCCO MCULE-4915307020 [0,1,0,0,0,1|2,0,0]=4 211 B17R2.50020 CCCC(=O)N1CC(=O)NC2=CC=CC=C12 MCULE-9816769222 [0,1,0,0,0,1|2,0,0]=4 212 B17R2.138659 CCCNC1=C(C(=O)OC2=C1C=CC=C2)N MCULE-5114715924 [0,1,0,0,0,1|2,0,0]=4 213 B17R2.138659 CCCNC1=C(C(=O)OC2=CC=CC=C12)N MCULE-2402598192 [0,1,0,0,0,1|2,0,0]=4 214 B17R2.339149 CCCCC1=CC(=O)OC2=CC(=CC=C12)O MCULE-7035360077 [0,1,0,0,0,1|1,0,1]=4 215 B17R2.49523 CCOC(=O)C=C1OC(=O)C2=C1C=CC=C2 MCULE-5922304956 [0,2,0,0,0,0|0,0,1]=3 216 B17R2.1022756 CCCC(=O)N1C(=O)C(=O)C2=C1C=CC=C2 MCULE-5909492944 [0,2,0,0,0,0|2,0,0]=4 217 B15R2.66 CCCC1=NOC(=N1)C2=CC=CC=C2 MCULE-7062787606 [0,0,1,1,0,0|2,0,0]=4 218 B15R2.66 NCCC1=COC(=N1)C2=CC=CC=C2 MCULE-4992119229 [0,0,1,1,0,0|2,0,0]=4 219 B15R2.395 CC1CC=NN1C(=O)C2=CC=CC=C2 MCULE-6585730813 [0,0,1,1,0,0|2,0,0]=4 220 B15R2.1259 O=C(OC1CCCC1)C2=CC=CC=C2 MCULE-6427190892 [0,0,1,1,0,0|0,0,2]=4 221 B15R2.2226 O=C(C1=CC=CC=C1)C2=CCCCC2 MCULE-7862190435 [0,0,1,1,0,0|1,0,1]=4 222 B15R2.4382 CCCC1=C2C=CC=CC2=C(C=C1)N MCULE-1350924667 [0,0,1,1,0,0|2,0,0]=4 223 B15R2.4382 CCCC1=C2C=CC=CC2=C(C=C1)N MCULE-4516839148 [0,0,1,1,0,0|2,0,0]=4 224 B15R2.24 CCN1C=CC2=C1C=CC=C2C(=O)O MCULE-8420656732 [0,0,1,1,0,0|1,0,0]=3 225 B15R2.24 CCN1C=NC2=C1C=CC=C2C(=O)O MCULE-4732318333 [0,0,1,1,0,0|2,0,0]=4 226 B15R2.886 CCCC1=CC(=O)C2=C(N1)C=CC=C2 MCULE-9033111852 [0,0,1,1,0,0|2,0,0]=4 227 B15R2.886 CCCC1=NC2=C(C=CC=C2)C(=O)N1 MCULE-9881361109 [0,0,1,1,0,0|2,0,0]=4 228 B15R2.886 CCCC1=NC2=C(C=CC=C2)C(=O)O1 MCULE-7435970583 [0,0,1,1,0,0|1,0,0]=3 229 B15R2.1221 O=C(O)C1=C(C=CC=C1)C2CCCC2 MCULE-8868400492 [0,0,1,1,0,0|0,0,2]=4 230 B15R2.1221 O=C(O)C1=C(C=CC=C1)N2CCCC2 MCULE-2140132698 [0,0,1,1,0,0|1,0,1]=4 231 B15R2.1221 O=C(O)C1=C(C=CC=C1)N2CCCC2 MCULE-7087265896 [0,0,1,1,0,0|1,0,1]=4 232 B15R2.1221 O=C(O)C1=C(C=CC=C1)[C@@H]2CCCN2 MCULE-2389408596 [0,0,1,1,0,0|1,0,1]=4 233 B15R2.1221 O=C(O)C1=C(C=CC=C1)[C@H]2CCCN2 MCULE-9694972759 [0,0,1,1,0,0|1,0,1]=4 234 B15R2.1221 O=C(O)C1=CC=CC=C1C2=CCCC2 MCULE-5169829895 [0,0,1,1,0,0|0,0,0]=2 235 B15R2.1221 O=C(O)C1=CC=CC=C1[C@@H]2CCCN2 MCULE-4044853758 [0,0,1,1,0,0|1,0,1]=4 236 B15R2.1221 O=C(O)C1=CC=CC=C1[C@H]2CCCN2 MCULE-8812174099 [0,0,1,1,0,0|1,0,1]=4 237 B15R2.13611 CC1=C2C=CC=C(C2=CC=C1)C(=O)O MCULE-1025734955 [0,0,1,1,0,0|0,0,2]=4 238 B15R2.13611 CC1=NC=CC2=C1C=CC=C2C(=O)O MCULE-7701220792 [0,0,1,1,0,0|1,0,1]=4 239 B15R2.13611 CC1CCNC2=C(C=CC=C12)C(=O)O MCULE-4591193991 [0,0,1,1,0,0|1,0,1]=4 240 B15R2.16319 O=C(O)C1=C(C=CC=C1)C#CC2CC2 MCULE-1723101524 [0,0,1,1,0,0|0,0,2]=4 241 B15R2.16319 O=C(O)C1=C(C=CC=C1)OCC2CC2 MCULE-2893095125 [0,0,1,1,0,0|1,0,1]=4 242 B15R2.16320 O=C(O)C1=C(C=CC=C1)OC2CCC2 MCULE-2786499033 [0,0,1,1,0,0|1,0,1]=4 243 B15R2.69020 O=C(O)C1=C2CCCCCC2=CC=C1 MCULE-6538865388 [0,0,1,1,0,0|0,0,2]=4 244 B15R2.2189 CC1=CC=C(O1)C2=C(C=CC=C2)C=O MCULE-3303285882 [0,0,1,1,0,0|0,0,2]=4 245 B15R2.2220 CCCC1=C(C2=NC=CC=C2C=C1)O MCULE-9205410017 [0,0,1,1,0,0|2,0,0]=4 246 B15R2.2220 CCOC1=C(C2=C(C=CC=C2)C=C1)O MCULE-4630308216 [0,0,1,1,0,0|2,0,0]=4 247 B15R2.4943 O=CC1=CC=CC=C1[C@@]2(CCCN2)O MCULE-8407464336 [0,0,1,1,0,0|1,0,1]=4 248 B15R2.4943 O=CC1=CC=CC=C1[C@@]2(CCCN2)O MCULE-8857166437 [0,0,1,1,0,0|1,0,1]=4 249 B15R2.4943 O=CC1=CC=CC=C1[C@]2(CCCN2)O MCULE-2193931991 [0,0,1,1,0,0|1,0,1]=4 250 B15R2.4943 O=CC1=CC=CC=C1[C@]2(CCCN2)O MCULE-8293966250 [0,0,1,1,0,0|1,0,1]=4 251 B15R2.9978 CCCN1C(=O)C2=C(C1=O)C=CC=C2 MCULE-3228430424 [0,0,1,1,0,0|1,0,1]=4 252 B15R2.9978 CCCN1C(=O)C2=C(C1O)C=CC=C2 MCULE-7217135194 [0,0,1,1,0,0|1,0,1]=4 253 B15R3.173 O=C1C2=C(C=CC=C2)C3=NCCN13 MCULE-1456115474 [1,0,0,1,0,0|2,0,0]=4 254 B15R3.14759 O=C1CC2CCCC3=C2C1=CC=C3 MCULE-8353661709 [1,0,0,1,0,0|1,0,1]=4 255 B15R3.14759 O=C1OC2=C3C1=CC=CC3=CC=C2 MCULE-2225652504 [1,0,0,1,0,0|0,0,2]=4 256 B17R3.35227 O=C1C2=C(C=CC=C2)N=C3N1CCCC3 MCULE-6267943915 [0,0,0,1,0,1|1,0,1]=4 257 B17R3.35227 O=C1C2=C(C=CC=C2)N=C3N1CCCN3 MCULE-1437655136 [0,0,0,1,0,1|2,0,0]=4 258 B17R3.35227 O=C1C2=C(C=CC=C2)NC3=C1CCCO3 MCULE-7988507370 [0,0,0,1,0,1|2,0,0]=4 259 B17R3.35227 O=C1C2=CC=CC=C2N=C3N1CCCO3 MCULE-9430873318 [0,0,0,1,0,1|2,0,0]=4 260 B17R3.35227 O=C1C2=CC=CC=C2N=C3N1CCCS3 MCULE-8921535307 [0,0,0,1,0,1|2,0,0]=4 261 B17R3.7829 O=C1OC(C2=C1C=CC=C2)N3CCCC3 MCULE-5831263594 [0,1,0,1,0,0|0,0,2]=4 262 B17R3.1109591 O=C1OC2(CCCNC2)C3=CC=CC=C13 MCULE-3872349997 [0,1,0,1,0,0|0,0,2]=4 263 B17R3.1109591 O=C1OC2(CCCNC2)C3=CC=CC=C13 MCULE-9536379241 [0,1,0,1,0,0|0,0,2]=4 264 B17R3.1109591 O=C1OC2(CCNCC2)C3=CC=CC=C13 MCULE-3364614298 [0,1,0,1,0,0|0,0,2]=4 265 B17R3.1109591 O=C1OC2(CCNCC2)C3=CC=CC=C13 MCULE-4727681105 [0,1,0,1,0,0|0,0,2]=4 266 B17R3.18880 O=C1CN2C(=O)CCCC3=CC=CC1=C23 MCULE-2477032789 [0,1,0,1,0,0|2,0,0]=4 267 B15R1.83 CCCC=NNC(=O)CC1=CC=CC=C1 MCULE-5240415878 [0,0,1,0,0,1|2,0,0]=4 268 B15R1.83 CCCCCOC(=O)CC1=CC=CC=C1 MCULE-4765966535 [0,0,1,0,0,1|0,0,2]=4 269 B15R1.1188 CCCCOC1=CC=CC=C1CC(=O)O MCULE-7110121925 [0,0,1,0,0,1|1,0,1]=4 270 B15R2.352 CCCCC1=CC=C2C=CC=CC2=C1 MCULE-5002783646 [1,0,0,0,0,1|1,0,1]=4 271 B15R2.352 CCCOC1=CC2=C(C=CC=C2)C=C1 MCULE-1624753627 [1,0,0,0,0,1|2,0,0]=4 272 B15R2.352 CCCOC1=NC2=CC=CC=C2C=C1 MCULE-5019021394 [1,0,0,0,0,1|2,0,0]=4 273 B15R2.4392 CCNC1=CC(=O)OC2=CC=CC=C12 MCULE-7179105073 [1,0,0,0,0,1|2,0,0]=4 274 B15R2.4392 CCOC1=CC(=O)NC2=C1C=CC=C2 MCULE-8404053278 [1,0,0,0,0,1|2,0,0]=4 275 B15R2.4392 CCOC1=CC(=O)OC2=CC=CC=C12 MCULE-5112733525 [1,0,0,0,0,1|2,0,0]=4 276 B15R2.4392 CNCC1=CC(=O)NC2=CC=CC=C12 MCULE-5443710055 [1,0,0,0,0,1|2,0,0]=4