0 B17R1.5286 CC(C)(C)NCC(=O)C1=CC=C(C(=C1)CO)O MCULE-2861258706 [0,0,0,0,0,0|0,0,2]=2 1 B17R1.5286 CC(C)(C)NCC(=O)C1=CC=C(C(=C1)CO)O MCULE-9917954315 [0,0,0,0,0,0|0,0,2]=2 2 B17R1.5286 CC(C)(C)NCC(O)C1=CC(=C(C=C1)O)CO MCULE-1066592634 [0,0,0,0,0,0|0,0,0]=0 3 B17R1.5286 CC(C)(C)NCC(O)C1=CC(=C(C=C1)O)CO MCULE-5312941123 [0,0,0,0,0,0|0,0,0]=0 4 B17R1.5286 CC(C)(C)NCC(O)C1=CC=C(C(=C1)C#N)N MCULE-2554334630 [0,0,0,0,0,0|2,0,1]=3 5 B17R1.5286 CC(C)(C)NCC(O)C1=CC=C(C(=C1)CO)O MCULE-4493408325 [0,0,0,0,0,0|0,0,0]=0 6 B17R1.5286 CC(C)(C)NCC(O)C1=CC=C(C(=C1)CO)O MCULE-6111896823 [0,0,0,0,0,0|0,0,0]=0 7 B17R1.5286 CC(C)(C)NCC(O)C1=NC(=C(C=C1)O)CO MCULE-3523943600 [0,0,0,0,0,0|1,0,0]=1 8 B17R1.5286 CC(C)(C)NCC(O)C1=NC(=C(C=C1)O)CO MCULE-6208669761 [0,0,0,0,0,0|1,0,0]=1 9 B17R1.5286 CC(C)(C)NC[C@@H](O)C1=CC(=C(C=C1)O)CO MCULE-7233263262 [0,0,0,0,0,0|0,0,0]=0 10 B17R1.5286 CC(C)(C)NC[C@@H](O)C1=CC(=C(C=C1)O)CO MCULE-7431991495 [0,0,0,0,0,0|0,0,0]=0 11 B17R1.5286 CC(C)(C)NC[C@@H](O)C1=CC=C(C(=N1)CO)O MCULE-3659085237 [0,0,0,0,0,0|1,0,0]=1 12 B17R1.5286 CC(C)(C)NC[C@@H](O)C1=CC=C(C(=N1)CO)O MCULE-4822082722 [0,0,0,0,0,0|1,0,0]=1 13 B17R1.5286 CC(C)(C)NC[C@@H](O)C1=NC(=C(C=C1)O)CO MCULE-6303111593 [0,0,0,0,0,0|1,0,0]=1 14 B17R1.5286 CC(C)(C)NC[C@@H](O)C1=NC(=C(C=C1)O)CO MCULE-9829736686 [0,0,0,0,0,0|1,0,0]=1 15 B17R1.5286 CC(C)(C)NC[C@H](O)C1=CC(=C(C=C1)O)CO MCULE-6064770307 [0,0,0,0,0,0|0,0,0]=0 16 B17R1.5286 CC(C)(C)NC[C@H](O)C1=CC(=C(C=C1)O)CO MCULE-8198033945 [0,0,0,0,0,0|0,0,0]=0 17 B17R1.5286 CC(C)(C)NC[C@H](O)C1=CC(=C(C=C1)O)CO MCULE-8784608352 [0,0,0,0,0,0|0,0,0]=0 18 B17R1.5286 CC(C)(C)NC[C@H](O)C1=CC=C(C(=C1)CO)O MCULE-4583723598 [0,0,0,0,0,0|0,0,0]=0 19 B17R1.5286 CC(C)(C)NC[C@H](O)C1=CC=C(C(=C1)CO)O MCULE-6238624657 [0,0,0,0,0,0|0,0,0]=0 20 B17R1.5286 CC(C)(C)NC[C@H](O)C1=CC=C(C(=C1)CO)O MCULE-7261473820 [0,0,0,0,0,0|0,0,0]=0 21 B17R1.5286 [C@H](O)(CNC(C)(C)C)C1=CC=C(C(=C1)CO)O MCULE-7404327839 [0,0,0,0,0,0|0,0,0]=0 22 B17R1.5286 [NH2+](CC(O)C1=CC=C(C(=C1)CO)O)C(C)(C)C MCULE-7740078582 [0,0,0,0,0,0|0,0,1]=1 23 B16R1.4709 CC(C)NCC(O)C1=CC(=C(C=C1)N)C#N MCULE-3622230725 [1,0,0,0,0,0|2,0,1]=4 24 B16R1.4709 COC1=C(C=CC(=C1)C(O)CNC(C)C)O MCULE-6831428221 [1,0,0,0,0,0|2,0,0]=3 25 B16R1.16536 CC1=CC(=CC=C1O)C(O)CNC(C)(C)C MCULE-4111484675 [1,0,0,0,0,0|0,0,0]=1 26 B18R1.5605 COC(CNC(C)(C)C)C1=CC(=C(C=C1)O)CO MCULE-2393254297 [0,1,0,0,0,0|0,0,0]=1 27 B18R1.32424 CC(C)(C)NCC(O)C1=CC=C(C(=C1)C(=O)N)O MCULE-5192958013 [0,1,0,0,0,0|0,0,2]=3 28 B18R1.89641 COC1=C(C(=CC=C1O)C(O)CNC(C)(C)C)Cl MCULE-8198680945 [0,1,0,0,0,0|2,0,0]=3 29 B15R1.65 COC1=CC(=CC=C1)C(O)CNC(C)C MCULE-6130631320 [2,0,0,0,0,0|2,0,0]=4 30 B15R1.889 CC(C)CC[C@@H](N)C1=CC=C(C(=C1)O)O MCULE-3421193438 [2,0,0,0,0,0|2,0,0]=4 31 B15R1.889 CC(C)CC[C@@H](N)C1=CC=C(C(=C1)O)O MCULE-5837166465 [2,0,0,0,0,0|2,0,0]=4 32 B15R1.889 CC(C)CC[C@H](N)C1=CC=C(C(=C1)O)O MCULE-5452009360 [2,0,0,0,0,0|2,0,0]=4 33 B15R1.889 CC(C)CC[C@H](N)C1=CC=C(C(=C1)O)O MCULE-7234770848 [2,0,0,0,0,0|2,0,0]=4 34 B15R1.889 CC(C)NCC(=O)C1=CC(=C(C=C1)O)O MCULE-3317742925 [2,0,0,0,0,0|0,0,2]=4 35 B15R1.889 CC(C)NCC(O)C1=CC(=C(C=C1)Cl)Cl MCULE-5460536983 [2,0,0,0,0,0|2,0,0]=4 36 B15R1.889 CC(C)NCC(O)C1=CC(=C(C=C1)Cl)Cl MCULE-8732135845 [2,0,0,0,0,0|2,0,0]=4 37 B15R1.889 CC(C)NCC(O)C1=CC(=C(C=C1)O)O MCULE-4087471887 [2,0,0,0,0,0|0,0,0]=2 38 B15R1.889 CC(C)NCC(O)C1=CC(=C(C=C1)O)O MCULE-6061231962 [2,0,0,0,0,0|0,0,0]=2 39 B15R1.889 CC(C)NCC(O)C1=CC=C(C(=C1)O)O MCULE-2476079421 [2,0,0,0,0,0|0,0,0]=2 40 B15R1.889 CC(C)NC[C@@H](O)C1=CC=C(C(=C1)O)O MCULE-4218658516 [2,0,0,0,0,0|0,0,0]=2 41 B15R1.889 CC(C)NC[C@@H](O)C1=CC=C(C(=C1)O)O MCULE-5148791752 [2,0,0,0,0,0|0,0,0]=2 42 B15R1.889 CC(C)NC[C@@H](O)C1=CC=C(C(=C1)O)O MCULE-5206982597 [2,0,0,0,0,0|0,0,0]=2 43 B15R1.889 CC(C)NC[C@H](O)C1=CC=C(C(=C1)O)O MCULE-2073498392 [2,0,0,0,0,0|0,0,0]=2 44 B15R1.889 CC(C)NC[C@H](O)C1=CC=C(C(=C1)O)O MCULE-7566942306 [2,0,0,0,0,0|0,0,0]=2 45 B15R1.889 CC(C)NC[C@H](O)C1=CC=C(C(=C1)O)O MCULE-8516637792 [2,0,0,0,0,0|0,0,0]=2 46 B15R1.889 CC(C)NC[C@H](O)C1=CC=C(C(=C1)O)O MCULE-8814574042 [2,0,0,0,0,0|0,0,0]=2 47 B15R1.889 CC(C)[NH2+]CC(O)C1=CC(=C(C=C1)O)O MCULE-1456958404 [2,0,0,0,0,0|0,0,1]=3 48 B15R1.889 CC(C)[NH2+]C[C@@H](O)C1=CC=C(C(=C1)O)O MCULE-5166646489 [2,0,0,0,0,0|0,0,1]=3 49 B15R1.889 CC1=C(C=CC(=C1)[C@@H](N)CCC(C)C)O MCULE-2618820338 [2,0,0,0,0,0|2,0,0]=4 50 B15R1.889 CC1=C(C=CC(=C1)[C@@H](N)CCC(C)C)O MCULE-6082367746 [2,0,0,0,0,0|2,0,0]=4 51 B15R1.889 CC1=C(C=CC(=C1)[C@H](N)CCC(C)C)O MCULE-1049956635 [2,0,0,0,0,0|2,0,0]=4 52 B15R1.889 CC1=C(C=CC(=C1)[C@H](N)CCC(C)C)O MCULE-9113718377 [2,0,0,0,0,0|2,0,0]=4 53 B15R1.889 N(CC(O)C1=CC(=C(C=C1)O)O)C(C)C MCULE-7822196318 [2,0,0,0,0,0|0,0,0]=2 54 B15R1.892 CC(C)(C)NCC(O)C1=CC=C(C=C1)N MCULE-2369464993 [2,0,0,0,0,0|1,0,0]=3 55 B15R1.892 CC(C)(C)NC[C@H](O)C1=CC=C(N=C1)N MCULE-6401959642 [2,0,0,0,0,0|2,0,0]=4 56 B15R1.892 CC1=NC=C(C=C1)C(O)CNC(C)(C)C MCULE-5003651641 [2,0,0,0,0,0|2,0,0]=4 57 B17R1.23513 CC(C)(C)[C@@H](N)C[C@@H](O)C1=CC=C(C(=C1)F)O MCULE-3140122997 [1,1,0,0,0,0|2,0,0]=4 58 B17R1.23513 CC(C)(C)[C@@H](N)C[C@@H](O)C1=CC=C(C(=C1)F)O MCULE-8268680843 [1,1,0,0,0,0|2,0,0]=4 59 B17R1.23513 CC(C)(C)[C@@H](N)C[C@@H](O)C1=CC=C(C(=C1)O)O MCULE-6581126784 [1,1,0,0,0,0|1,0,0]=3 60 B17R1.23513 CC(C)(C)[C@@H](N)C[C@@H](O)C1=CC=C(C(=C1)O)O MCULE-8874819379 [1,1,0,0,0,0|1,0,0]=3 61 B17R1.23513 CC(C)(C)[C@@H](N)C[C@H](O)C1=CC=C(C(=C1)F)O MCULE-5039775495 [1,1,0,0,0,0|2,0,0]=4 62 B17R1.23513 CC(C)(C)[C@@H](N)C[C@H](O)C1=CC=C(C(=C1)F)O MCULE-7589322668 [1,1,0,0,0,0|2,0,0]=4 63 B17R1.23513 CC(C)(C)[C@@H](N)C[C@H](O)C1=CC=C(C(=C1)O)O MCULE-1341361924 [1,1,0,0,0,0|1,0,0]=3 64 B17R1.23513 CC(C)(C)[C@@H](N)C[C@H](O)C1=CC=C(C(=C1)O)O MCULE-6010988259 [1,1,0,0,0,0|1,0,0]=3 65 B17R1.23513 CC(C)(C)[C@H](N)C[C@@H](O)C1=CC=C(C(=C1)F)O MCULE-1446834884 [1,1,0,0,0,0|2,0,0]=4 66 B17R1.23513 CC(C)(C)[C@H](N)C[C@@H](O)C1=CC=C(C(=C1)F)O MCULE-7169011144 [1,1,0,0,0,0|2,0,0]=4 67 B17R1.23513 CC(C)(C)[C@H](N)C[C@@H](O)C1=CC=C(C(=C1)O)O MCULE-1027960118 [1,1,0,0,0,0|1,0,0]=3 68 B17R1.23513 CC(C)(C)[C@H](N)C[C@@H](O)C1=CC=C(C(=C1)O)O MCULE-6142044032 [1,1,0,0,0,0|1,0,0]=3 69 B17R1.23513 CC(C)(C)[C@H](N)C[C@H](O)C1=CC=C(C(=C1)F)O MCULE-3907578618 [1,1,0,0,0,0|2,0,0]=4 70 B17R1.23513 CC(C)(C)[C@H](N)C[C@H](O)C1=CC=C(C(=C1)F)O MCULE-6275324225 [1,1,0,0,0,0|2,0,0]=4 71 B17R1.23513 CC(C)(C)[C@H](N)C[C@H](O)C1=CC=C(C(=C1)O)O MCULE-8697718964 [1,1,0,0,0,0|1,0,0]=3 72 B17R1.23513 CC(C)(C)[C@H](N)C[C@H](O)C1=CC=C(C(=C1)O)O MCULE-9285207458 [1,1,0,0,0,0|1,0,0]=3 73 B17R1.304823 CC(C)(C)NCC(O)C1=CC(=C(C(=C1)Br)N)Br MCULE-2714047773 [1,1,0,0,0,0|2,0,0]=4 74 B17R1.304823 CC(C)(C)NCC(O)C1=CC(=C(C(=C1)Br)N)Br MCULE-7535263674 [1,1,0,0,0,0|2,0,0]=4 75 B17R1.304823 CC(C)(C)NCC(O)C1=CC(=C(C(=C1)Br)N)Cl MCULE-4525818157 [1,1,0,0,0,0|2,0,0]=4 76 B17R1.304823 CC(C)(C)NCC(O)C1=CC(=C(C(=C1)Br)N)Cl MCULE-8628987059 [1,1,0,0,0,0|2,0,0]=4 77 B17R1.304823 CC(C)(C)NCC(O)C1=CC(=C(C(=C1)Cl)N)Cl MCULE-7809217372 [1,1,0,0,0,0|2,0,0]=4 78 B17R1.304823 CC(C)(C)NC[C@H](O)C1=CC(=C(C(=C1)Cl)N)Cl MCULE-7240260393 [1,1,0,0,0,0|2,0,0]=4 79 B17R1.16430 CC(C)(C)NCC(O)C1=CC=CC(=C1)N(=O)=O MCULE-5037350678 [1,1,0,0,0,0|1,0,1]=4 80 B17R1.16430 CC(C)(C)NCC(O)C1=CC=CC(=C1)N(=O)=O MCULE-9130681258 [1,1,0,0,0,0|1,0,1]=4 81 B19R1.42973 CC(C)(C)NCC(O)C1=CC(=C(C=C1)O)NC(=O)N MCULE-7385151424 [0,2,0,0,0,0|0,0,2]=4 82 B19R1.42973 CC(C)(C)NCC(O)C1=CC(=C(C=C1)O)NC(=O)N MCULE-7759415525 [0,2,0,0,0,0|0,0,2]=4 83 B19R1.46603 CCOCC1=CC(=CC=C1O)C(O)CNC(C)(C)C MCULE-7041931738 [0,2,0,0,0,0|0,0,0]=2 84 B19R1.211637 CCOC1=CC=C(C=C1CO)C(O)CNC(C)(C)C MCULE-3667005701 [0,2,0,0,0,0|0,0,0]=2