0 B9R1.35 CC(=O)N1CC[C@H](O)C1 08-6360 [0,0,0,0,0,0|3,0,0]=3 1 B9R1.35 CN1CC[C@H](C(=O)O)C1 08-7670 [0,0,0,0,0,0|3,0,0]=3 2 B9R1.35 NC(=O)[C@@H]1C[C@H](F)CN1 08-3978 [0,0,0,0,0,0|2,0,0]=2 3 B9R1.35 O=C(O)[C@@H]1C[C@@H](F)CN1 08-7357 [0,0,0,0,0,0|1,0,0]=1 4 B9R1.35 O=C(O)[C@@H]1C[C@@H](O)CN1 04-1821 [0,0,0,0,0,0|0,0,0]=0 5 B9R1.35 O=C1CC[C@@H](C(=O)O)N1 04-2401 [0,0,0,0,0,0|2,0,2]=4 6 B9R1.35 O=C1CC[C@H](C(=O)O)C1 08-7809 [0,0,0,0,0,0|1,0,2]=3 7 B8R1.7 CC(=O)[C@H]1CCNC1 08-10165 [1,0,0,0,0,0|3,0,0]=4 8 B8R1.7 NC(=O)[C@@H]1CCCN1 04-2362 [1,0,0,0,0,0|1,0,0]=2 9 B8R1.7 NC(=O)[C@@H]1CCCN1 24-1863 [1,0,0,0,0,0|1,0,0]=2 10 B8R1.7 NC(=O)[C@H]1CCNC1 021340S [1,0,0,0,0,0|3,0,0]=4 11 B8R1.7 NC(=O)[C@H]1CCNC1 08-5570 [1,0,0,0,0,0|3,0,0]=4 12 B8R1.7 NC(=O)[C@H]1CCNC1 20-2113 [1,0,0,0,0,0|3,0,0]=4 13 B8R1.7 NC(=O)[C@H]1CCNC1 20-2210 [1,0,0,0,0,0|3,0,0]=4 14 B8R1.7 NC(=O)[C@H]1CCNC1 26-2701 [1,0,0,0,0,0|3,0,0]=4 15 B8R1.7 O=C(O)C1=COCC1 08-7224 [1,0,0,0,0,0|2,0,1]=4 16 B8R1.7 O=C(O)[C@@H]1CCCN1 020707 [1,0,0,0,0,0|0,0,0]=1 17 B8R1.7 O=C(O)[C@@H]1CCCN1 025642 [1,0,0,0,0,0|0,0,0]=1 18 B8R1.7 O=C(O)[C@@H]1CCCN1 BIO-410 [1,0,0,0,0,0|0,0,0]=1 19 B8R1.7 O=C(O)[C@H]1CCNC1 020984 [1,0,0,0,0,0|2,0,0]=3 20 B8R1.7 O=C(O)[C@H]1CCOC1 08-5648 [1,0,0,0,0,0|2,0,0]=3 21 B8R1.7 OB(O)C1CCCC1 08-210 [1,0,0,0,0,0|2,0,1]=4 22 B10R1.14 COC(=O)[C@@H]1C[C@@H](O)CN1 08-10091 [0,1,0,0,0,0|0,0,0]=1 23 B10R1.14 COC(=O)[C@@H]1C[C@H](F)CN1 08-4010 [0,1,0,0,0,0|1,0,0]=2 24 B10R1.14 COC(=O)[C@H]1CCC(=O)C1 08-2478 [0,1,0,0,0,0|1,0,2]=4 25 B10R1.14 COC(=O)[C@H]1C[C@H](O)CN1 08-9955 [0,1,0,0,0,0|0,0,0]=1 26 B10R1.359 O=C(O)[C@H]1CCC(F)(F)C1 08-7218 [0,1,0,0,0,0|2,0,0]=3 27 B10R1.470 CN1CC[C@](C)(C(=O)O)C1 08-10194 [0,1,0,0,0,0|3,0,0]=4 28 B8R0.8 CCCC[C@H](N)C(=O)O 025863 [0,0,1,0,0,0|3,0,0]=4 29 B8R0.8 CCCC[C@H](N)C(=O)O 24-1855 [0,0,1,0,0,0|3,0,0]=4 30 B8R0.8 CCCC[C@H](N)C(=O)O 25-080 [0,0,1,0,0,0|3,0,0]=4 31 B8R0.8 NCCC[C@H](N)C(=O)O 04-2220 [0,0,1,0,0,0|3,0,0]=4 32 B8R0.8 NCCC[C@H](N)C(=O)O 22-402 [0,0,1,0,0,0|3,0,0]=4 33 B8R0.9 NCC(=O)NCC(=O)O 04-1104 [0,0,1,0,0,0|1,0,2]=4 34 B8R0.23 CC(C)C[C@H](N)C(=O)O 04-1892 [0,0,1,0,0,0|1,0,0]=2 35 B8R0.23 CC(C)C[C@H](N)C(=O)O BIO-234 [0,0,1,0,0,0|1,0,0]=2 36 B8R0.23 CC(C)C[C@H](N)C(N)=O 04-1898 [0,0,1,0,0,0|2,0,0]=3 37 B8R0.23 CC(C)C[C@H](N)C(N)=O 20-3200 [0,0,1,0,0,0|2,0,0]=3 38 B8R0.23 CC(C)C[C@H](N)C(N)=O 22-401 [0,0,1,0,0,0|2,0,0]=3 39 B8R0.23 NC(=O)C[C@H](N)C(=O)O 025771 [0,0,1,0,0,0|1,0,2]=4 40 B8R0.23 NC(=O)C[C@H](N)C(=O)O 04-331 [0,0,1,0,0,0|1,0,2]=4 41 B8R0.23 NC(=O)C[C@H](N)C(=O)O 06-1846 [0,0,1,0,0,0|1,0,2]=4 42 B8R0.23 NC(=O)C[C@H](N)C(=O)O 20-2407 [0,0,1,0,0,0|1,0,2]=4 43 B8R0.23 NC(=O)C[C@H](N)C(=O)O 22-1810 [0,0,1,0,0,0|1,0,2]=4 44 B8R0.23 N[C@@H](CC(=O)O)C(=O)O 025511 [0,0,1,0,0,0|1,0,1]=3 45 B8R0.23 N[C@@H](CC(=O)O)C(=O)O BIO-038 [0,0,1,0,0,0|1,0,1]=3 46 B8R0.23 N[C@@H](CC(=O)O)C(=O)O BIO-114 [0,0,1,0,0,0|1,0,1]=3 47 B8R0.23 O=C(O)C[C@H](O)C(=O)O 020741 [0,0,1,0,0,0|2,0,1]=4 48 B8R0.23 O=C(O)C[C@H](O)C(=O)O BIO-641 [0,0,1,0,0,0|2,0,1]=4 49 B8R0.28 O=C(O)CCCC(=O)O 15-0500 [0,0,1,0,0,0|2,0,1]=4 50 B8R1.23 CN1CC(C(=O)O)C1 08-5371 [0,0,0,0,1,0|2,0,0]=3 51 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 08-4576 [0,0,0,0,1,0|1,0,0]=2 52 B8R1.23 N[C@H]1C[C@H](C(=O)O)C1 08-4577 [0,0,0,0,1,0|1,0,0]=2 53 B8R1.23 O=C(O)C1CC(F)C1 08-5243 [0,0,0,0,1,0|1,0,0]=2 54 B8R1.23 O=C1CC(C(=O)O)C1 08-5737 [0,0,0,0,1,0|0,0,2]=3 55 B10R1.13 CC(=O)N1CCC(O)CC1 08-7449 [0,0,0,0,0,1|3,0,0]=4 56 B10R1.13 CN1CCC(C(=O)O)CC1 08-9995 [0,0,0,0,0,1|3,0,0]=4 57 B10R1.13 N[C@H]1CC[C@@H](C(=O)O)CC1 08-6409 [0,0,0,0,0,1|2,0,0]=3 58 B10R1.13 N[C@H]1CC[C@H](C(=O)O)CC1 08-7961 [0,0,0,0,0,1|2,0,0]=3 59 B10R1.13 O=C1CC[C@@H](C(=O)O)NC1 08-5736 [0,0,0,0,0,1|0,0,2]=3 60 B10R1.13 O=C1CC[C@H](C(=O)O)CN1 08-8049 [0,0,0,0,0,1|1,0,2]=4 61 B10R1.113 O=C1C[C@@H](C(=O)O)CCN1 08-8048 [0,0,0,0,0,1|1,0,2]=4 62 B7R0.4 CCCCCC(=O)O 10-0600 [1,0,1,0,0,0|1,0,0]=3 63 B7R0.4 NCCCCC(=O)O 12-902 [1,0,1,0,0,0|0,0,0]=2 64 B7R0.5 CCC[C@H](C)C(=O)O CS-800 [1,0,1,0,0,0|1,0,0]=3 65 B7R0.5 CCC[C@H](N)C(=O)O 021880 [1,0,1,0,0,0|0,0,0]=2 66 B7R0.5 CCC[C@H](N)C(=O)O 04-2202 [1,0,1,0,0,0|0,0,0]=2 67 B7R0.5 CCC[C@H](N)C(N)=O 04-2207 [1,0,1,0,0,0|1,0,0]=3 68 B7R0.5 CSC[C@H](N)C(=O)O 025849 [1,0,1,0,0,0|1,0,0]=3 69 B7R0.5 C[C@H](NC=O)C(=O)O 04-1420 [1,0,1,0,0,0|0,0,2]=4 70 B7R0.5 N#CC[C@H](N)C(=O)O 04-112 [1,0,1,0,0,0|1,0,1]=4 71 B7R0.5 N[C@@H](CCS)C(=O)O BIO-615 [1,0,1,0,0,0|0,1,0]=3 72 B7R0.6 O=C(O)CCC(=O)O 15-0400 [1,0,1,0,0,0|1,0,1]=4 73 B7R0.15 CN[C@@H](CO)C(=O)O 22-409 [1,0,1,0,0,0|0,0,0]=2 74 B7R0.2 CC(C)C[C@H](N)CO 024045 [1,0,1,0,0,0|1,0,1]=4 75 B7R0.2 CC(C)C[C@H](N)CO 04-1926 [1,0,1,0,0,0|1,0,1]=4 76 B7R1.1 FC[C@H]1CCCN1 08-5262 [2,0,0,0,0,0|1,0,1]=4 77 B7R1.1 N#C[C@@H]1CCCN1 08-10629 [2,0,0,0,0,0|1,0,1]=4 78 B7R1.1 OC[C@H]1CCCN1 04-1811 [2,0,0,0,0,0|0,0,1]=3 79 B7R1.1 OC[C@H]1CCCN1 04-1812 [2,0,0,0,0,0|0,0,1]=3 80 B7R1.1 OC[C@H]1CCCN1 24-1413 [2,0,0,0,0,0|0,0,1]=3 81 B7R1.2 NC1CCC(O)C1 08-6214 [2,0,0,0,0,0|2,0,0]=4 82 B9R0.42 C[C@H](NC(=O)CN)C(=O)O 04-1598 [0,1,1,0,0,0|1,0,1]=4 83 B9R0.29 CC[C@H](C)[C@H](NC)C(=O)O 04-2127 [0,1,1,0,0,0|1,0,0]=3 84 B9R0.11 CC(C)C[C@](C)(N)C(=O)O 04-279 [0,1,1,0,0,0|1,0,0]=3 85 B9R0.57 CC(=O)(O)C[C@H](N)C(=O)O 20-2224 [0,1,1,0,0,0|0,0,1]=3 86 B9R0.57 N[C@@H](CC(F)(F)F)C(=O)O 09-3036 [0,1,1,0,0,0|2,0,0]=4 87 B9R0.57 N[C@@H](CC(F)(F)F)C(=O)O 26-2994 [0,1,1,0,0,0|2,0,0]=4 88 B9R0.57 N[C@@H](CS(=O)(=O)O)C(=O)O 04-1076 [0,1,1,0,0,0|2,0,0]=4 89 B9R0.79 CC(O)[C@H](C)[C@H](N)C(=O)O 06-153 [0,1,1,0,0,0|0,0,0]=2 90 B9R0.56 O=C(O)CNCP(=O)(O)O BIO-191 [0,1,1,0,0,0|2,0,0]=4 91 B9R1.11 COC(=O)[C@@H]1CCCN1 04-2369 [1,1,0,0,0,0|0,0,0]=2 92 B9R1.11 COC(=O)[C@@H]1CCCN1 20-2305 [1,1,0,0,0,0|0,0,0]=2 93 B9R1.11 COC(=O)[C@H]1CCOC1 08-7659 [1,1,0,0,0,0|2,0,0]=4 94 B9R1.163 NC1(C(=O)O)CCCC1 04-263 [1,1,0,0,0,0|1,0,0]=3 95 B9R1.163 N[C@@]1(C(=O)O)CCOC1 08-4623 [1,1,0,0,0,0|2,0,0]=4 96 B9R1.82 COC(=O)C1CC(=O)C1 08-5372 [0,1,0,0,1,0|0,0,2]=4 97 B9R1.82 COC(=O)C1CC(O)C1 08-5394 [0,1,0,0,1,0|0,0,0]=2 98 B9R1.82 COC(=O)[C@H]1C[C@H](N)C1 08-7544 [0,1,0,0,1,0|1,0,0]=3 99 B9R1.164 O=C(O)C1CC(F)(F)C1 08-5184 [0,1,0,0,1,0|1,0,0]=3 100 B11R1.22 COC(=O)[C@H]1CC[C@H](N)CC1 08-7522 [0,1,0,0,0,1|2,0,0]=4 101 B11R1.15 CCOC(=O)[C@@H]1C[C@@H](O)CN1 04-1822 [0,2,0,0,0,0|0,0,0]=2 102 B11R1.866 COC(=O)[C@@H]1CC(F)(F)CN1 08-7220 [0,2,0,0,0,0|1,0,0]=3 103 B11R1.175 O=C(O)[C@H]1CC[C@@H](C(=O)O)C1 08-10633 [0,2,0,0,0,0|1,0,0]=3 104 B11R1.489 C[N+]1(C)C[C@H](O)C[C@H]1C(=O)O 020605 [0,2,0,0,0,0|0,0,1]=3 105 B9R1.6 O=C(O)[C@@H]1CCCCN1 BIO-933 [0,0,1,1,0,0|1,0,0]=3 106 B9R1.6 O=C(O)[C@@H]1CSCCN1 08-10079 [0,0,1,1,0,0|0,1,0]=3 107 B9R1.6 O=C(O)[C@H]1CCCOC1 08-5669 [0,0,1,1,0,0|1,0,0]=3 108 B9R1.6 O=C(O)[C@H]1CCCSC1 08-5693 [0,0,1,1,0,0|1,1,0]=4 109 B9R2.39 O=C1CC2CCC1C2 025054 [1,0,0,1,0,0|2,0,0]=4 110 B9R2.70 OC[C@@H]1NC[C@@H]2C[C@@H]21 08-6213 [1,0,0,1,0,0|1,0,1]=4 111 B7R0.16 CC(C)[C@H](N)C(=O)O 04-2664 [0,0,1,0,1,0|1,0,0]=3 112 B7R0.16 CC(C)[C@H](N)C(=O)O BIO-433 [0,0,1,0,1,0|1,0,0]=3 113 B7R0.16 CC(C)[C@H](N)C(N)=O 04-2669 [0,0,1,0,1,0|2,0,0]=4 114 B7R0.16 CC(C)[C@H](N)C(N)=O 04-2670 [0,0,1,0,1,0|2,0,0]=4 115 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O 022308 [0,0,1,0,1,0|0,0,0]=2 116 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O 023234 [0,0,1,0,1,0|0,0,0]=2 117 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O 025644 [0,0,1,0,1,0|0,0,0]=2 118 B7R0.16 C[C@@H](O)[C@H](N)C(N)=O 04-2498 [0,0,1,0,1,0|1,0,0]=3 119 B7R0.16 C[C@H](O)[C@H](N)C(=O)O BIO-965 [0,0,1,0,1,0|0,0,0]=2 120 B7R1.10 NC1CC(CO)C1 08-4589 [1,0,0,0,1,0|1,0,1]=4 121 B7R1.10 NCC1CC(O)C1 08-6321 [1,0,0,0,1,0|1,0,1]=4 122 B7R1.10 NC[C@H]1C[C@@H](O)C1 08-4615 [1,0,0,0,1,0|1,0,1]=4 123 B7R1.10 NC[C@H]1C[C@H](O)C1 08-4616 [1,0,0,0,1,0|1,0,1]=4 124 B7R1.18 NC(=O)C1CNC1 08-4566 [1,0,0,0,1,0|2,0,0]=4 125 B7R1.18 O=C(O)C1CNC1 08-4541 [1,0,0,0,1,0|1,0,0]=3 126 B7R1.18 O=C(O)[C@@H]1CCN1 024375 [1,0,0,0,1,0|0,0,0]=2 127 B7R1.18 O=C(O)[C@@H]1CCN1 024439 [1,0,0,0,1,0|0,0,0]=2 128 B7R1.18 O=C(O)[C@@H]1CCN1 024974S [1,0,0,0,1,0|0,0,0]=2 129 B7R1.18 O=C(O)[C@@H]1CCN1 04-395 [1,0,0,0,1,0|0,0,0]=2 130 B7R1.18 O=C(O)[C@@H]1CCO1 08-8067 [1,0,0,0,1,0|1,0,0]=3 131 B9R0.55 CC(C)CCCCC(=O)O 11-0706 [0,0,1,0,0,1|2,0,0]=4 132 B9R0.55 CC(C)CCNCC(=O)O 41-0553 [0,0,1,0,0,1|1,0,0]=3