0 B13R1.3481 CC1=CC(=NN1CC(N)C(=O)O)C MCULE-7091980005 [0,0,0,0,0,0|4,0,0]=4 1 B13R1.3481 CC1=CC(=NN1CC(N)C(=O)O)C MCULE-9662200101 [0,0,0,0,0,0|4,0,0]=4 2 B13R1.3481 NC(CN1OC(=O)NC1=O)C(=O)O MCULE-8805062077 [0,0,0,0,0,0|0,0,0]=0 3 B13R1.3481 N[C@@H](CN1OC(=O)NC1=O)C(=O)O MCULE-3085799912 [0,0,0,0,0,0|0,0,0]=0 4 B13R1.3481 N[C@@H](CN1OC(=O)NC1=O)C(=O)O MCULE-3186408705 [0,0,0,0,0,0|0,0,0]=0 5 B12R1.104 NC(CC1=CNC(=N1)S)C(=O)O MCULE-9465947211 [1,0,0,0,0,0|2,1,0]=4 6 B12R1.104 NC1=NC(=CN1)C[C@H](N)C(=O)O MCULE-6106532520 [1,0,0,0,0,0|3,0,0]=4 7 B12R1.104 N[C@@H](CC1=CNC(=N1)O)C(=O)O MCULE-9186293071 [1,0,0,0,0,0|2,0,1]=4 8 B12R1.104 N[C@@H](CC1=CNC(=N1)S)C(=O)O MCULE-9093847859 [1,0,0,0,0,0|2,1,0]=4 9 B12R1.104 N[C@@H](CC1=CNC(=S)N1)C(=O)O MCULE-3988472498 [1,0,0,0,0,0|2,1,0]=4 10 B12R1.861 CC1=NN(C(=O)C1)CCC(=O)O MCULE-3148966061 [1,0,0,0,0,0|3,0,0]=4 11 B12R1.861 O=C(O)CCC1NC(=O)NC1=O MCULE-4043775084 [1,0,0,0,0,0|2,0,0]=3 12 B12R1.861 O=C(O)CCC1NC(=S)NC1=O MCULE-1541938813 [1,0,0,0,0,0|2,1,0]=4 13 B12R1.861 O=C(O)CC[C@@H]1NC(=O)NC1=O MCULE-7004335123 [1,0,0,0,0,0|2,0,0]=3 14 B12R1.861 O=C(O)CC[C@@H]1NC(=O)NC1=O MCULE-9084301148 [1,0,0,0,0,0|2,0,0]=3 15 B12R0.687 CC(=O)NC(=O)CCC(N)C(=O)O MCULE-2604827857 [0,0,1,0,0,0|2,0,0]=3 16 B12R0.687 CC(=O)NC(=O)CC[C@H](N)C(=O)O MCULE-5226244303 [0,0,1,0,0,0|2,0,0]=3 17 B12R0.687 CC(=O)NC(=O)CC[C@H](N)C(=O)O MCULE-6434591285 [0,0,1,0,0,0|2,0,0]=3 18 B14R2.25720 O=C1NC(=O)C2(N1)CC(C2)C(=O)O MCULE-2281864497 [0,0,0,1,0,0|3,0,0]=4 19 B12R1.864 CC(C(=O)O)C1SC(=O)NC1=O MCULE-5433868360 [0,0,0,0,1,0|2,1,0]=4 20 B14R1.6049 NC(CN1C=CC(=O)NC1=O)C(=O)O MCULE-8038508098 [0,0,0,0,0,1|1,0,0]=2 21 B14R1.6049 N[C@@H](CN1C=CC(=O)NC1=O)C(=O)O MCULE-5181449514 [0,0,0,0,0,1|1,0,0]=2 22 B14R1.6049 N[C@@H](CN1C=CC(=O)NC1=O)C(=O)O MCULE-6544606181 [0,0,0,0,0,1|1,0,0]=2 23 B11R1.35 NC(CC1=CC=CO1)C(=O)O MCULE-2615027072 [2,0,0,0,0,0|2,0,0]=4 24 B11R1.35 NC(CC1=CC=CO1)C(=O)O MCULE-5961212744 [2,0,0,0,0,0|2,0,0]=4 25 B11R1.35 NC(CC1=CNC=C1)C(=O)O MCULE-9864992308 [2,0,0,0,0,0|2,0,0]=4 26 B11R1.35 NC(CC1=CNC=N1)C(=O)O MCULE-2923626784 [2,0,0,0,0,0|2,0,0]=4 27 B11R1.35 NC(CC1=CNC=N1)C(=O)O MCULE-6787534916 [2,0,0,0,0,0|2,0,0]=4 28 B11R1.35 NC(CC1=CNC=N1)C(=O)O MCULE-7525765487 [2,0,0,0,0,0|2,0,0]=4 29 B11R1.35 NC(CN1C=CC=C1)C(=O)O MCULE-6420960159 [2,0,0,0,0,0|2,0,0]=4 30 B11R1.35 NC(CN1C=CC=N1)C(=O)O MCULE-3059611601 [2,0,0,0,0,0|2,0,0]=4 31 B11R1.35 NC(CN1C=CC=N1)C(=O)O MCULE-9483519317 [2,0,0,0,0,0|2,0,0]=4 32 B11R1.35 NC(CN1C=CN=C1)C(=O)O MCULE-2613680512 [2,0,0,0,0,0|1,0,1]=4 33 B11R1.35 NC(CN1C=NC=N1)C(=O)O MCULE-4430137430 [2,0,0,0,0,0|1,0,1]=4 34 B11R1.35 NC(CN1C=NC=N1)C(=O)O MCULE-7109186760 [2,0,0,0,0,0|1,0,1]=4 35 B11R1.35 N[C@@H](CC1=CC=CO1)C(=O)O MCULE-2369724288 [2,0,0,0,0,0|2,0,0]=4 36 B11R1.35 N[C@@H](CC1=CC=CO1)C(=O)O MCULE-5803182238 [2,0,0,0,0,0|2,0,0]=4 37 B11R1.35 N[C@@H](CC1=CC=CO1)C(=O)O MCULE-5920888333 [2,0,0,0,0,0|2,0,0]=4 38 B11R1.35 N[C@@H](CC1=CC=CO1)C(=O)O MCULE-9717464601 [2,0,0,0,0,0|2,0,0]=4 39 B11R1.35 N[C@@H](CC1=CNC=C1)C(=O)O MCULE-7031820503 [2,0,0,0,0,0|2,0,0]=4 40 B11R1.35 N[C@@H](CC1=CNC=N1)C(=O)O MCULE-1155454458 [2,0,0,0,0,0|2,0,0]=4 41 B11R1.35 N[C@@H](CC1=CNC=N1)C(=O)O MCULE-4083000888 [2,0,0,0,0,0|2,0,0]=4 42 B11R1.35 N[C@@H](CC1=CNC=N1)C(=O)O MCULE-5599456266 [2,0,0,0,0,0|2,0,0]=4 43 B11R1.35 N[C@@H](CC1=CNC=N1)C(=O)O MCULE-7458236044 [2,0,0,0,0,0|2,0,0]=4 44 B11R1.35 N[C@@H](CC1=CNC=N1)C(=O)O MCULE-9282849595 [2,0,0,0,0,0|2,0,0]=4 45 B11R1.35 N[C@@H](CC1=CNC=N1)C(=O)O MCULE-9753735240 [2,0,0,0,0,0|2,0,0]=4 46 B11R1.35 N[C@@H](CN1C=CC=N1)C(=O)O MCULE-1297692188 [2,0,0,0,0,0|2,0,0]=4 47 B11R1.35 N[C@@H](CN1C=CC=N1)C(=O)O MCULE-1796607981 [2,0,0,0,0,0|2,0,0]=4 48 B11R1.35 N[C@@H](CN1C=CC=N1)C(=O)O MCULE-3328462551 [2,0,0,0,0,0|2,0,0]=4 49 B11R1.35 N[C@@H](CN1C=CC=N1)C(=O)O MCULE-6620872920 [2,0,0,0,0,0|2,0,0]=4 50 B11R1.35 N[C@@H](CN1C=CN=C1)C(=O)O MCULE-9858220492 [2,0,0,0,0,0|1,0,1]=4 51 B11R1.35 N[C@H](CC1=CC=CO1)C(=O)O MCULE-2460207628 [2,0,0,0,0,0|2,0,0]=4 52 B11R1.35 N[C@H](CC1=CC=CO1)C(=O)O MCULE-6984530934 [2,0,0,0,0,0|2,0,0]=4 53 B11R1.35 N[C@H](CC1=CNC=C1)C(=O)O MCULE-9800775235 [2,0,0,0,0,0|2,0,0]=4 54 B11R1.35 N[C@H](CC1=CNC=N1)C(=O)O MCULE-2877373266 [2,0,0,0,0,0|2,0,0]=4 55 B11R1.35 N[C@H](CC1=CNC=N1)C(=O)O MCULE-4994851602 [2,0,0,0,0,0|2,0,0]=4 56 B11R1.35 N[C@H](CC1=CNC=N1)C(=O)O MCULE-9609124805 [2,0,0,0,0,0|2,0,0]=4 57 B11R1.35 N[C@H](CN1C=CN=C1)C(=O)O MCULE-2628582629 [2,0,0,0,0,0|1,0,1]=4 58 B11R1.75 O=C(O)CCC1=CNC(=O)N1 MCULE-2706002292 [2,0,0,0,0,0|2,0,0]=4 59 B11R1.230 O=C1CN(C(=O)N1)CCCO MCULE-5023828736 [2,0,0,0,0,0|1,0,1]=4 60 B13R1.3471 CN1C(=O)NC(C1=O)CCC(=O)O MCULE-7350128122 [1,1,0,0,0,0|2,0,0]=4 61 B13R1.7491 CC1(NC(=O)NC1=O)CCC(=O)O MCULE-9998763198 [1,1,0,0,0,0|2,0,0]=4 62 B15R1.8394 N[C@@H](CN1C=C(C(=O)NC1=O)F)C(=O)O MCULE-2424200917 [0,1,0,0,0,1|2,0,0]=4 63 B15R1.8394 N[C@@H](CN1C=C(C(=O)NC1=O)F)C(=O)O MCULE-4292777745 [0,1,0,0,0,1|2,0,0]=4 64 B15R1.8394 N[C@@H](CN1C=C(C(=O)NC1=O)F)C(=O)O MCULE-7037460200 [0,1,0,0,0,1|2,0,0]=4 65 B15R1.8394 N[C@@H](CN1C=C(C(=O)NC1=O)F)C(=O)O MCULE-7617415961 [0,1,0,0,0,1|2,0,0]=4 66 B15R1.8394 N[C@@H](CN1C=C(C(=O)NC1=O)I)C(=O)O MCULE-8831847676 [0,1,0,0,0,1|2,0,0]=4 67 B13R1.7457 O=C(O)CC(=O)N1CC(C1)C(=O)O MCULE-8840987279 [0,0,1,1,0,0|2,0,0]=4 68 B11R0.150 NC(CNC(=O)C(=O)O)C(=O)O MCULE-4369517479 [0,0,1,0,1,0|0,0,0]=2 69 B11R0.150 N[C@@H](CNC(=O)C(=O)O)C(=O)O MCULE-6891448368 [0,0,1,0,1,0|0,0,0]=2 70 B11R0.150 N[C@@H](CNC(=O)C(=O)O)C(=O)O MCULE-8386372368 [0,0,1,0,1,0|0,0,0]=2 71 B13R0.51 N[C@@H](CCC(=O)NCC(=O)O)C(=O)O MCULE-1421391808 [0,0,1,0,0,1|1,0,0]=3 72 B13R0.51 N[C@H](CCC(=O)NCC(=O)O)C(=O)O MCULE-3089825842 [0,0,1,0,0,1|1,0,0]=3 73 B13R0.51 N[C@H](CCC(=O)NCC(=O)O)C(=O)O MCULE-4476076301 [0,0,1,0,0,1|1,0,0]=3 74 B13R0.51 N[C@H](CCC(=O)NCC(=O)O)C(=O)O MCULE-6653808113 [0,0,1,0,0,1|1,0,0]=3 75 B13R1.164 NC(=O)CCN1C=CC(=O)NC1=O MCULE-5085296903 [1,0,0,0,0,1|2,0,0]=4 76 B13R1.164 O=C(O)CCN1C=CC(=O)NC1=O MCULE-2498545168 [1,0,0,0,0,1|1,0,0]=3 77 B13R1.893 O=C(O)CCN1NC(=O)C=CC1=O MCULE-1381318883 [1,0,0,0,0,1|2,0,0]=4 78 B13R1.893 O=C(O)CC[C@@H]1NC(=O)CNC1=O MCULE-2125890084 [1,0,0,0,0,1|2,0,0]=4 79 B13R1.893 O=C(O)CC[C@@H]1NC(=O)CNC1=O MCULE-5531427735 [1,0,0,0,0,1|2,0,0]=4