0 B16R1.4124 CC(C(=O)O)C1=CC=C(C=C1)CC(C)(C)O MCULE-6862064250 [0,0,0,0,0,0|0,0,0]=0 1 B15R1.1075 CC(=O)NC1=CC=C(C=C1)CC(C)(C)C MCULE-8163671855 [1,0,0,0,0,0|3,0,0]=4 2 B15R1.1075 CC(C)(C)CC1=CC=C(C=C1)CC(=O)O MCULE-7681081390 [1,0,0,0,0,0|1,0,0]=2 3 B15R1.1075 CC(C)(C)OC1=CC=C(C=C1)CC(=O)O MCULE-2968627363 [1,0,0,0,0,0|2,0,0]=3 4 B15R1.1075 CC(C)CC1=CC=C(C=C1)CC(C)(C)O MCULE-6800380908 [1,0,0,0,0,0|2,0,1]=4 5 B15R1.12250 CC(=CC1=CC=C(C=C1)C(C)C(=O)O)C MCULE-6190247495 [1,0,0,0,0,0|0,0,2]=3 6 B15R1.12250 CC(=O)C(C)C1=CC=C(C=C1)CC(C)C MCULE-6254402442 [1,0,0,0,0,0|1,0,0]=2 7 B15R1.12250 CC(=O)NC1=CC=C(C=C1)C(C)C(=O)O MCULE-8644789320 [1,0,0,0,0,0|1,0,2]=4 8 B15R1.12250 CC(C)CC1=CC=C(C=C1)C(C)C(=N)N MCULE-2816776129 [1,0,0,0,0,0|2,0,0]=3 9 B15R1.12250 CC(C)CC1=CC=C(C=C1)C(C)C(=N)N MCULE-7915166464 [1,0,0,0,0,0|2,0,0]=3 10 B15R1.12250 CC(C)CC1=CC=C(C=C1)C(C)C(=O)Cl MCULE-2477947423 [1,0,0,0,0,0|1,0,0]=2 11 B15R1.12250 CC(C)CC1=CC=C(C=C1)C(C)C(=O)N MCULE-7082233294 [1,0,0,0,0,0|1,0,0]=2 12 B15R1.12250 CC(C)CC1=CC=C(C=C1)C(C)C(=O)O MCULE-9475454445 [1,0,0,0,0,0|0,0,0]=1 13 B15R1.12250 CC(C)CC1=CC=C(C=C1)C(C)C(=O)[O-] MCULE-8543222879 [1,0,0,0,0,0|0,0,1]=2 14 B15R1.12250 CC(C)CC1=CC=C(C=C1)[C@@H](C)C(=O)N MCULE-4883109072 [1,0,0,0,0,0|1,0,0]=2 15 B15R1.12250 CC(C)CC1=CC=C(C=C1)[C@@H](C)C(=O)O MCULE-2705745406 [1,0,0,0,0,0|0,0,0]=1 16 B15R1.12250 CC(C)CC1=CC=C(C=C1)[C@@H](C)C(=O)O MCULE-5291883887 [1,0,0,0,0,0|0,0,0]=1 17 B15R1.12250 CC(C)CC1=CC=C(C=C1)[C@H](C)C(=O)O MCULE-6401400613 [1,0,0,0,0,0|0,0,0]=1 18 B15R1.12250 CC(C)CC1=CC=C(C=C1)[C@H](C)C(=O)O MCULE-7632594346 [1,0,0,0,0,0|0,0,0]=1 19 B15R1.12250 CC(C)OC1=CC=C(C=C1)C(N)C(=O)O MCULE-6822473630 [1,0,0,0,0,0|2,0,0]=3 20 B15R1.12250 CC(C)SC1=CC=C(C=C1)C(C)C(=O)O MCULE-6443204378 [1,0,0,0,0,0|1,0,0]=2 21 B17R1.1765 COC(=O)[C@@H](N)C1=CC=C(C=C1)OC(C)(C)C MCULE-1400868226 [0,1,0,0,0,0|3,0,0]=4 22 B17R1.1765 COC(=O)[C@@H](N)C1=CC=C(C=C1)OC(C)(C)C MCULE-4156053888 [0,1,0,0,0,0|3,0,0]=4 23 B17R1.1765 COC(=O)[C@H](N)C1=CC=C(C=C1)OC(C)(C)C MCULE-1764388240 [0,1,0,0,0,0|3,0,0]=4 24 B17R1.1765 COC(=O)[C@H](N)C1=CC=C(C=C1)OC(C)(C)C MCULE-3120933440 [0,1,0,0,0,0|3,0,0]=4 25 B15R1.3665 CC(C(=O)O)C1=CC=C(C=C1)C(C)(C)C MCULE-8447672627 [0,0,0,0,1,0|1,0,0]=2 26 B15R1.3665 CC(C(=O)O)C1=CC=C(C=C1)C(F)(F)F MCULE-4156295381 [0,0,0,0,1,0|3,0,0]=4 27 B15R1.3665 CC(C(=O)O)C1=CC=C(C=C1)S(=O)(=O)C MCULE-6573157006 [0,0,0,0,1,0|2,0,1]=4 28 B15R1.3665 CC(C)(C)C1=CC=C(C=C1)C(=O)C(=O)O MCULE-1926767209 [0,0,0,0,1,0|2,0,1]=4 29 B15R1.3665 CC(C)(C)C1=CC=C(C=C1)C(N)C(=O)O MCULE-2192151253 [0,0,0,0,1,0|2,0,0]=3 30 B17R1.4465 C(N)(CC1=CC=C(C=C1)OC(C)(C)C)C(=O)O MCULE-1789489195 [0,0,0,0,0,1|3,0,0]=4 31 B17R1.4465 CC(C)(C)OC1=CC=C(C=C1)CC(N)C(=O)O MCULE-2265476978 [0,0,0,0,0,1|3,0,0]=4 32 B17R1.4465 CC(C)(C)OC1=CC=C(C=C1)C[C@@H](N)C(=O)O MCULE-3484086192 [0,0,0,0,0,1|3,0,0]=4 33 B17R1.4465 CC(C)(C)OC1=CC=C(C=C1)C[C@H](N)C(=O)O MCULE-6704811233 [0,0,0,0,0,1|3,0,0]=4 34 B17R1.4465 [C@@H](N)(CC1=CC=C(C=C1)OC(C)(C)C)C(=O)O MCULE-2697261287 [0,0,0,0,0,1|3,0,0]=4 35 B17R1.4465 [C@H](N)(CC1=CC=C(C=C1)OC(C)(C)C)C(=O)O MCULE-4478617713 [0,0,0,0,0,1|3,0,0]=4 36 B17R1.8298 CC(CC(=O)O)C1=CC=C(C=C1)OC(C)(C)C MCULE-6753401328 [0,0,0,0,0,1|2,0,0]=3 37 B17R1.8298 C[C@@H](CC(=O)O)C1=CC=C(C=C1)OC(C)(C)C MCULE-1701620685 [0,0,0,0,0,1|2,0,0]=3 38 B17R1.8298 C[C@H](CC(=O)O)C1=CC=C(C=C1)OC(C)(C)C MCULE-3656120149 [0,0,0,0,0,1|2,0,0]=3 39 B14R1.23 CCCC1=CC=C(C=C1)CC(C)(C)O MCULE-5444569648 [2,0,0,0,0,0|1,0,1]=4 40 B14R1.23 COCC1=CC=C(C=C1)CC(C)(C)O MCULE-7696340101 [2,0,0,0,0,0|2,0,0]=4 41 B14R1.414 CC(C)C1=CC=C(C=C1)CC(C)(C)O MCULE-2148059392 [2,0,0,0,0,0|0,0,1]=3 42 B14R1.414 CN(C)C1=CC=C(C=C1)CC(C)(C)O MCULE-6382432093 [2,0,0,0,0,0|1,0,1]=4 43 B14R1.717 CC(C)CC1=CC=C(C=C1)C(C)C#N MCULE-5830292066 [2,0,0,0,0,0|1,0,1]=4 44 B14R1.717 CC(C)CC1=CC=C(C=C1)C(C)C=O MCULE-4882551483 [2,0,0,0,0,0|0,0,0]=2 45 B14R1.717 CC(C)CC1=CC=C(C=C1)C(C)CO MCULE-8896029472 [2,0,0,0,0,0|0,0,1]=3 46 B14R1.805 C=C(Br)CC1=CC=C(C=C1)CC(C)C MCULE-5392914337 [2,0,0,0,0,0|2,0,0]=4 47 B14R1.805 C=C(C)CC1=CC=C(C=C1)CC(C)C MCULE-6146592850 [2,0,0,0,0,0|2,0,0]=4 48 B14R1.805 CC(=O)CC1=CC=C(C=C1)OC(C)C MCULE-1019281569 [2,0,0,0,0,0|2,0,0]=4 49 B14R1.805 CC(=O)SC1=CC=C(C=C1)CC(C)C MCULE-9582842731 [2,0,0,0,0,0|2,0,0]=4 50 B14R1.805 CC(C)CC1=CC=C(C=C1)CC(=O)O MCULE-9215319549 [2,0,0,0,0,0|0,0,0]=2 51 B14R1.805 CC(C)CC1=CC=C(C=C1)CC(C)O MCULE-9571621771 [2,0,0,0,0,0|1,0,1]=4 52 B14R1.805 CC(C)OC1=CC=C(C=C1)CC(=O)O MCULE-7963457895 [2,0,0,0,0,0|1,0,0]=3 53 B14R1.805 CC(C)SC1=CC=C(C=C1)CC(=O)Cl MCULE-3696467685 [2,0,0,0,0,0|2,0,0]=4 54 B14R1.805 CC(C)SC1=CC=C(C=C1)CC(=O)N MCULE-9332239242 [2,0,0,0,0,0|2,0,0]=4 55 B14R1.805 CC(C)SC1=CC=C(C=C1)CC(=O)O MCULE-1111837201 [2,0,0,0,0,0|1,0,0]=3 56 B14R1.805 CN(C)CC1=CC=C(C=C1)CC(=O)O MCULE-4462021956 [2,0,0,0,0,0|1,0,0]=3 57 B14R1.805 CN(C)CC1=CC=C(C=C1)CC(=O)O MCULE-9097366174 [2,0,0,0,0,0|1,0,0]=3 58 B14R1.805 O=C(O)CC1=CC=C(C=C1)CC(=O)O MCULE-1758863091 [2,0,0,0,0,0|1,0,1]=4 59 B14R1.141 CCCC1=CC=C(C=C1)C(C)C(=O)O MCULE-1255714462 [2,0,0,0,0,0|0,0,0]=2 60 B14R1.141 CCOC1=CC=C(C=C1)C(N)C(=O)O MCULE-9019964904 [2,0,0,0,0,0|2,0,0]=4 61 B14R1.141 CCOC1=CC=C(C=C1)C(O)C(=O)O MCULE-8561069062 [2,0,0,0,0,0|2,0,0]=4 62 B14R1.141 COCC1=CC=C(C=C1)C(C)C(=O)O MCULE-2056983932 [2,0,0,0,0,0|1,0,0]=3 63 B16R1.4392 COC(=O)CC1=CC=C(C=C1)OC(C)(C)C MCULE-1990512115 [1,1,0,0,0,0|2,0,0]=4 64 B16R1.1636 CC(C)CC1=CC=C(C=C1)C(C)/C(=N/O)/N MCULE-9090424803 [1,1,0,0,0,0|1,0,0]=3 65 B16R1.1636 CC(C)CC1=CC=C(C=C1)C(C)C(=O)NN MCULE-7044400466 [1,1,0,0,0,0|1,0,0]=3 66 B16R1.1636 CC(C)CC1=CC=C(C=C1)C(C)C(=O)NO MCULE-1644914455 [1,1,0,0,0,0|0,0,0]=2 67 B16R1.1636 CNC(=O)C(C)C1=CC=C(C=C1)CC(C)C MCULE-3266801178 [1,1,0,0,0,0|1,0,0]=3 68 B16R1.1636 COC(=O)C(=O)C1=CC=C(C=C1)CC(C)C MCULE-1686366603 [1,1,0,0,0,0|1,0,1]=4 69 B16R1.1636 COC(=O)C(C)C1=CC=C(C=C1)CC(C)C MCULE-4705961946 [1,1,0,0,0,0|0,0,0]=2 70 B16R1.1636 COC(=O)[C@@H](N)C1=CC=C(C=C1)OC(C)C MCULE-3603280048 [1,1,0,0,0,0|2,0,0]=4 71 B16R1.1636 COC(=O)[C@@H](N)C1=CC=C(C=C1)OC(C)C MCULE-8302426438 [1,1,0,0,0,0|2,0,0]=4 72 B16R1.1636 COC(=O)[C@H](N)C1=CC=C(C=C1)OC(C)C MCULE-4047233894 [1,1,0,0,0,0|2,0,0]=4 73 B16R1.1636 COC(=O)[C@H](N)C1=CC=C(C=C1)OC(C)C MCULE-7357892861 [1,1,0,0,0,0|2,0,0]=4 74 B16R1.1636 [C@@H](C)(C(=O)OC)C1=CC=C(C=C1)CC(C)C MCULE-3786375197 [1,1,0,0,0,0|0,0,0]=2 75 B16R1.1677 CCC(C(=O)O)C1=CC=C(C=C1)CC(C)C MCULE-4490878107 [1,1,0,0,0,0|0,0,0]=2 76 B16R1.1677 CC[C@@H](C(=O)O)C1=CC=C(C=C1)CC(C)C MCULE-1209722674 [1,1,0,0,0,0|0,0,0]=2 77 B16R1.24540 CC(C(=O)O)C1=CC=C(C=C1)C(Br)C(C)C MCULE-8839883609 [1,1,0,0,0,0|0,0,0]=2 78 B16R1.24540 CC(C(=O)O)C1=CC=C(C=C1)C(O)C(C)C MCULE-1374792416 [1,1,0,0,0,0|0,0,0]=2 79 B16R1.24540 CC(C)C(=O)C1=CC=C(C=C1)C(C)C(=O)O MCULE-2250087633 [1,1,0,0,0,0|0,0,1]=3 80 B16R1.1637 COC(=O)C(N)C1=CC=C(C=C1)C(C)(C)C MCULE-5995850244 [0,1,0,0,1,0|2,0,0]=4 81 B16R1.1637 COC(=O)C(N)C1=CC=C(C=C1)C(C)(C)C MCULE-7871091363 [0,1,0,0,1,0|2,0,0]=4 82 B16R1.1637 COC(=O)C(O)C1=CC=C(C=C1)C(C)(C)C MCULE-2873403778 [0,1,0,0,1,0|2,0,0]=4 83 B16R1.1637 COC(=O)[C@@H](N)C1=CC=C(C=C1)C(C)(C)C MCULE-6080891668 [0,1,0,0,1,0|2,0,0]=4 84 B16R1.1637 COC(=O)[C@@H](N)C1=CC=C(C=C1)C(C)(C)C MCULE-9324956449 [0,1,0,0,1,0|2,0,0]=4 85 B16R1.1637 COC(=O)[C@H](N)C1=CC=C(C=C1)C(C)(C)C MCULE-9036977997 [0,1,0,0,1,0|2,0,0]=4 86 B16R1.1637 COC(=O)[C@H](N)C1=CC=C(C=C1)C(C)(C)C MCULE-9387852248 [0,1,0,0,1,0|2,0,0]=4 87 B16R1.10688 CCC(C)(C)C1=CC=C(C=C1)C(O)C(=O)O MCULE-8358422273 [0,1,0,0,1,0|2,0,0]=4 88 B16R1.12254 CC(C)(C)C1=CC=C(C=C1)C(C)(C)C(=O)O MCULE-9011238249 [0,1,0,0,1,0|1,0,0]=3 89 B16R1.12254 CC(C)(C)C1=CC=C(C=C1)C(F)(F)C(=O)O MCULE-1525835972 [0,1,0,0,1,0|2,0,0]=4 90 B18R1.719 CN[C@@H](CC1=CC=C(C=C1)OC(C)(C)C)C(=O)O MCULE-5205532170 [0,1,0,0,0,1|2,0,0]=4 91 B16R2.34999 CC1(OC2=C(O1)C=C(C=C2)CC(=O)O)C MCULE-9672874460 [1,0,0,1,0,0|1,0,0]=3 92 B18R2.141924 CC1(OC2=C(O1)C=C(C=C2)CC(N)C(=O)O)C MCULE-6732617137 [0,0,0,1,0,1|2,0,0]=4 93 B18R2.141924 CC1(OC2=C(O1)C=C(C=C2)C[C@@H](N)C(=O)O)C MCULE-9143337713 [0,0,0,1,0,1|2,0,0]=4 94 B18R2.141924 CC1(OC2=CC=C(C=C2O1)C[C@H](N)C(=O)O)C MCULE-8216210712 [0,0,0,1,0,1|2,0,0]=4 95 B18R2.12147 CC(C)(C)OC1=CC=C(C=C1)[C@@H]2COC(=O)N2 MCULE-2434416733 [0,0,0,1,0,1|2,0,0]=4 96 B18R2.12147 CC(C)(C)OC1=CC=C(C=C1)[C@@H]2COC(=O)N2 MCULE-7544980454 [0,0,0,1,0,1|2,0,0]=4 97 B18R2.12147 CC(C)(C)OC1=CC=C(C=C1)[C@H]2COC(=O)N2 MCULE-2791804823 [0,0,0,1,0,1|2,0,0]=4 98 B18R2.12147 CC(C)(C)OC1=CC=C(C=C1)[C@H]2COC(=O)N2 MCULE-3585123147 [0,0,0,1,0,1|2,0,0]=4 99 B14R1.806 CC(=O)CC1=CC=C(C=C1)C(C)(C)C MCULE-2813768374 [1,0,0,0,1,0|2,0,0]=4 100 B14R1.806 CC(C)(C)C1=CC=C(C=C1)CC(=O)O MCULE-1362276474 [1,0,0,0,1,0|1,0,0]=3 101 B14R1.806 C[Si](C)(C)C1=CC=C(C=C1)CC(=O)O MCULE-5645921128 [1,0,0,0,1,0|1,1,0]=4 102 B14R1.6402 CC(C(=O)O)C1=CC=C(C=C1)C(=O)O MCULE-3278431470 [1,0,0,0,1,0|1,0,1]=4 103 B14R1.6402 CC(C(=O)O)C1=CC=C(C=C1)N(C)C MCULE-4653378554 [1,0,0,0,1,0|1,0,0]=3 104 B14R1.6402 CC(C)C1=CC=C(C=C1)C(N)C(=O)N MCULE-6634515196 [1,0,0,0,1,0|2,0,0]=4 105 B14R1.6402 CC(C)C1=CC=C(C=C1)C(N)C(=O)O MCULE-6411585518 [1,0,0,0,1,0|1,0,0]=3 106 B14R1.6402 CC(C)C1=CC=C(C=C1)C(O)C(=O)O MCULE-1796773856 [1,0,0,0,1,0|1,0,0]=3 107 B14R1.6402 CC(C)C1=CC=C(C=C1)[C@H](N)C(=O)O MCULE-2102307591 [1,0,0,0,1,0|1,0,0]=3 108 B14R1.6402 CN(C)C1=CC=C(C=C1)C(N)C(=O)O MCULE-9827279308 [1,0,0,0,1,0|2,0,0]=4 109 B16R1.7610 CC(C)(C)OC1=CC=C(C=C1)CCC(=O)O MCULE-1566874539 [1,0,0,0,0,1|2,0,0]=4 110 B16R1.602 C=C(C)CNC1=CC=C(C=C1)C(C)C(=O)O MCULE-5684082766 [1,0,0,0,0,1|0,0,2]=4 111 B16R1.1282 CC(C)CC1=CC=C(C=C1)C([NH3+])CC(=O)[O-] MCULE-2876998576 [1,0,0,0,0,1|1,0,1]=4 112 B16R1.1282 CC(C)OC1=CC=C(C=C1)C(C)CC(=O)O MCULE-3703409581 [1,0,0,0,0,1|1,0,0]=3 113 B16R1.1282 CC(C)OC1=CC=C(C=C1)C(N)CC(=O)O MCULE-1868783352 [1,0,0,0,0,1|2,0,0]=4 114 B16R1.1283 CC(C)CC1=CC=C(C=C1)CC(C)C(=O)O MCULE-9522967054 [1,0,0,0,0,1|0,0,0]=2 115 B16R1.1283 CC(C)CC1=CC=C(C=C1)C[C@H](N)C(=O)O MCULE-1860092322 [1,0,0,0,0,1|1,0,0]=3 116 B16R1.1283 CC(C)CC1=CC=C(C=C1)C[C@H](N)C(=O)O MCULE-1892518648 [1,0,0,0,0,1|1,0,0]=3 117 B16R1.1283 CC(C)OC1=CC=C(C=C1)CC(C)C(=O)O MCULE-7910422126 [1,0,0,0,0,1|1,0,0]=3 118 B16R1.1283 CC(C)OC1=CC=C(C=C1)CC(N)C(=O)O MCULE-6279573560 [1,0,0,0,0,1|2,0,0]=4 119 B16R1.4113 CC(=CC1=CC=C(C=C1)C(C)(C)C)C(=O)O MCULE-8379666076 [0,0,0,0,1,1|1,0,1]=4 120 B16R1.4113 CC(=O)C(C)OC1=CC=C(C=C1)C(C)(C)C MCULE-6242875092 [0,0,0,0,1,1|2,0,0]=4 121 B16R1.4113 CC(C)(C)C1=CC=C(C=C1)CC(N)C(=O)O MCULE-1326492343 [0,0,0,0,1,1|2,0,0]=4 122 B16R1.4113 CC(C)(C)C1=CC=C(C=C1)C[C@@H](N)C(=O)O MCULE-3453938785 [0,0,0,0,1,1|2,0,0]=4 123 B16R1.4113 CC(C)(C)C1=CC=C(C=C1)C[C@@H](N)C(=O)O MCULE-3904732243 [0,0,0,0,1,1|2,0,0]=4 124 B16R1.4113 CC(C)(C)C1=CC=C(C=C1)C[C@H](N)C(=O)O MCULE-3026743612 [0,0,0,0,1,1|2,0,0]=4 125 B16R1.4113 CC(C)(C)C1=CC=C(C=C1)C[C@H](N)C(=O)O MCULE-6791183957 [0,0,0,0,1,1|2,0,0]=4 126 B16R1.4113 CC(CC1=CC=C(C=C1)C(C)(C)C)C(=O)O MCULE-6349547846 [0,0,0,0,1,1|1,0,0]=3 127 B16R1.4113 CC(OC1=CC=C(C=C1)C(C)(C)C)C(=O)Cl MCULE-7162890981 [0,0,0,0,1,1|2,0,0]=4 128 B16R1.4113 CC(OC1=CC=C(C=C1)C(C)(C)C)C(=O)N MCULE-2598139641 [0,0,0,0,1,1|2,0,0]=4 129 B16R1.4113 CC(OC1=CC=C(C=C1)C(C)(C)C)C(=O)O MCULE-6322029961 [0,0,0,0,1,1|1,0,0]=3 130 B16R1.6930 CC(C)(C)C1=CC=C(C=C1)C(N)CC(=O)O MCULE-1290917710 [0,0,0,0,1,1|2,0,0]=4 131 B16R1.6930 CC(C)(C)C1=CC=C(C=C1)[C@H](N)CC(=O)O MCULE-2375120311 [0,0,0,0,1,1|2,0,0]=4 132 B16R1.6930 CC(C)(C)C1=CC=C(C=C1)[C@H](N)CC(=O)O MCULE-6628397287 [0,0,0,0,1,1|2,0,0]=4