0 B8R1.1 C=C[C@@H]1CNC(=S)O1 06-545 [0,0,0,0,0,0|1,1,2]=4 1 B8R1.1 CN1CC[C@H](CO)C1 020330 [0,0,0,0,0,0|4,0,0]=4 2 B8R1.1 CN1CC[C@H](CO)C1 08-7428 [0,0,0,0,0,0|4,0,0]=4 3 B8R1.1 CN[C@H]1CCN(C)C1 08-5146 [0,0,0,0,0,0|4,0,0]=4 4 B8R1.1 O=C1CC[C@H](CO)N1 020980S [0,0,0,0,0,0|2,0,0]=2 5 B8R1.1 O=C1CC[C@H](CO)N1 04-2405 [0,0,0,0,0,0|2,0,0]=2 6 B7R1.1 BrC[C@H]1CCOC1 08-5652 [1,0,0,0,0,0|3,0,0]=4 7 B7R1.1 CN[C@H]1CCOC1 021584 [1,0,0,0,0,0|3,0,0]=4 8 B7R1.1 CO[C@H]1CCNC1 021663 [1,0,0,0,0,0|3,0,0]=4 9 B7R1.1 CO[C@H]1CCNC1 08-5374 [1,0,0,0,0,0|3,0,0]=4 10 B7R1.1 FC[C@H]1CCCN1 08-5262 [1,0,0,0,0,0|2,0,1]=4 11 B7R1.1 NCC1CCCC1 08-3096 [1,0,0,0,0,0|2,0,1]=4 12 B7R1.1 NC[C@H]1CCCO1 08-8019 [1,0,0,0,0,0|1,0,1]=3 13 B7R1.1 NC[C@H]1CCOC1 024073 [1,0,0,0,0,0|3,0,0]=4 14 B7R1.1 NC[C@H]1CCOC1 024079 [1,0,0,0,0,0|3,0,0]=4 15 B7R1.1 NC[C@H]1CCOC1 08-7947 [1,0,0,0,0,0|3,0,0]=4 16 B7R1.1 OC[C@H]1CCCN1 04-1811 [1,0,0,0,0,0|2,0,1]=4 17 B7R1.1 OC[C@H]1CCCN1 04-1812 [1,0,0,0,0,0|2,0,1]=4 18 B7R1.1 OC[C@H]1CCCN1 24-1413 [1,0,0,0,0,0|2,0,1]=4 19 B7R1.1 OC[C@H]1CCNC1 024190 [1,0,0,0,0,0|3,0,0]=4 20 B7R1.1 OC[C@H]1CCNC1 024313 [1,0,0,0,0,0|3,0,0]=4 21 B7R1.1 OC[C@H]1CCNC1 024378 [1,0,0,0,0,0|3,0,0]=4 22 B7R1.1 OC[C@H]1CCNC1 08-5614 [1,0,0,0,0,0|3,0,0]=4 23 B7R1.1 OC[C@H]1CCNC1 23-1825 [1,0,0,0,0,0|3,0,0]=4 24 B7R1.1 OC[C@H]1CCOC1 022311S [1,0,0,0,0,0|3,0,0]=4 25 B7R1.1 OC[C@H]1CCOC1 08-5650 [1,0,0,0,0,0|3,0,0]=4 26 B7R1.2 CN1CCC(=O)C1 08-3269 [1,0,0,0,0,0|2,0,0]=3 27 B7R1.2 O=C1CCC(=O)N1 BIO-450 [1,0,0,0,0,0|2,0,1]=4 28 B9R1.22 CC[C@@H]1NC(=O)OC1=O 19-1472 [0,1,0,0,0,0|2,0,1]=4 29 B9R1.35 O=C1CC[C@@H](C(=O)O)N1 04-2401 [0,1,0,0,0,0|2,0,1]=4 30 B9R1.35 O=C1CC[C@H](C(=O)O)C1 08-7809 [0,1,0,0,0,0|2,0,1]=4 31 B7R0.2 CC[C@H](C)CC(=O)O CS-801 [0,0,1,0,0,0|2,0,0]=3 32 B7R0.2 CC[C@H](O)CC(=O)O 14-0503 [0,0,1,0,0,0|3,0,0]=4 33 B7R0.3 CCCCC(=O)OC 20-0500 [0,0,1,0,0,0|2,0,0]=3 34 B7R0.3 COC(=O)CCCBr CS-741 [0,0,1,0,0,0|3,0,0]=4 35 B7R0.4 CCCCCC(=O)O 10-0600 [0,0,1,0,0,0|0,0,0]=1 36 B7R0.4 CCCCO[N+](=O)[O-] 08-160 [0,0,1,0,0,0|2,0,1]=4 37 B7R0.4 NCCCCC(=O)O 12-902 [0,0,1,0,0,0|1,0,0]=2 38 B9R2.39 O=C1CC2CCC1C2 025054 [0,0,0,1,0,0|1,0,0]=2 39 B9R2.39 O=C1N[C@@H]2C=C[C@H]1C2 08-4632 [0,0,0,1,0,0|1,0,2]=4 40 B9R2.68 C1CC2CCC(C1)N2 08-6196 [0,0,0,1,0,0|2,0,1]=4 41 B9R2.68 C1C[C@@H]2CNC[C@H]1O2 19-2862 [0,0,0,1,0,0|2,0,1]=4 42 B7R1.10 O=C1CC(CO)C1 08-5307 [0,0,0,0,1,0|2,0,0]=3 43 B9R1.2 NC[C@H]1CCNC(=O)C1 20-1633 [0,0,0,0,0,1|2,0,0]=3 44 B9R1.2 O=C1C[C@@H](CO)CCN1 08-5731 [0,0,0,0,0,1|2,0,0]=3 45 B6R0.1 CCCC(=O)OC 20-0400 [1,0,1,0,0,0|1,0,0]=3 46 B6R0.1 CCC[C@@H](O)CC 40-0600 [1,0,1,0,0,0|0,0,1]=3 47 B6R0.1 CCNC(=O)CO 08-10467 [1,0,1,0,0,0|2,0,0]=4 48 B6R0.1 CCOC(=O)CF 26-792 [1,0,1,0,0,0|1,0,0]=3 49 B6R0.1 CCOC(=O)CN 04-1586 [1,0,1,0,0,0|1,0,0]=3 50 B6R0.1 CNCC(=O)OC 04-2425 [1,0,1,0,0,0|2,0,0]=4 51 B6R0.2 CC(C)CC(=O)O 022864S [1,0,1,0,0,0|2,0,0]=4 52 B6R0.4 CCCCC(=O)O 025124 [1,0,1,0,0,0|0,0,0]=2 53 B6R0.4 CCCCC(=O)O 71-0509 [1,0,1,0,0,0|0,0,0]=2 54 B6R0.4 NCCCC(=O)O 020706 [1,0,1,0,0,0|1,0,0]=3 55 B6R0.4 NCCCC(=O)O 06-1637 [1,0,1,0,0,0|1,0,0]=3 56 B6R0.6 CCCCCC=O 023326S [1,0,1,0,0,0|0,0,0]=2 57 B6R0.6 CCCCCCC 05-0700 [1,0,1,0,0,0|1,0,1]=4 58 B6R0.6 CCCCCCF 26-926 [1,0,1,0,0,0|1,0,1]=4 59 B6R0.9 CCC(CC)NN 08-9439 [1,0,1,0,0,0|2,0,0]=4 60 B6R1.2 C[C@H]1CCCN1 04-2368 [2,0,0,0,0,0|1,0,1]=4 61 B6R1.2 O=C1C=CCO1 08-3977 [2,0,0,0,0,0|0,0,2]=4 62 B6R1.2 O=C1CCNC1 08-5561 [2,0,0,0,0,0|2,0,0]=4 63 B6R1.2 O=C1CCOC1 08-5730 [2,0,0,0,0,0|2,0,0]=4 64 B8R0.2 CC[C@@H](C)[C@H](N)C(=O)O 04-1840 [0,1,1,0,0,0|2,0,0]=4 65 B8R0.2 CC[C@@H](C)[C@H](N)C(=O)O 04-1841 [0,1,1,0,0,0|2,0,0]=4 66 B8R0.2 CC[C@H](C)[C@H](N)C(=O)O 04-1839 [0,1,1,0,0,0|2,0,0]=4 67 B8R0.2 CC[C@H](C)[C@H](N)C(=O)O BIO-227 [0,1,1,0,0,0|2,0,0]=4 68 B8R0.2 CC[C@H](C)[C@H](N)C(N)=O 04-1842 [0,1,1,0,0,0|2,0,0]=4 69 B8R0.19 CCC(=O)C[C@@H](C)CC 025226S [0,1,1,0,0,0|1,0,0]=3 70 B8R0.3 CCC[C@H](N)C(=O)OC 04-2209 [0,1,1,0,0,0|2,0,0]=4 71 B8R0.3 O=CC[C@@H](O)[C@@H](O)CO BIO-777 [0,1,1,0,0,0|1,0,0]=3 72 B8R0.6 CCCCCC(=O)CC 025222S [0,1,1,0,0,0|1,0,0]=3 73 B8R0.6 CCCCCC(=O)OC 20-0600 [0,1,1,0,0,0|2,0,0]=4 74 B8R0.6 CCCCC[C@@H](O)CC 023170S [0,1,1,0,0,0|1,0,1]=4 75 B8R0.6 CCCCOC(=O)CF 26-325 [0,1,1,0,0,0|1,0,0]=3 76 B8R0.8 C=C(C)C(=O)OCCF 26-912 [0,1,1,0,0,0|1,0,1]=4 77 B8R0.7 CCCCCCB(O)O 08-788 [0,1,1,0,0,0|1,0,1]=4 78 B8R0.7 CCCCCCC(=O)O 10-0700 [0,1,1,0,0,0|0,0,0]=2 79 B8R0.7 CCCCCCC(C)=O 023294S [0,1,1,0,0,0|1,0,0]=3 80 B8R0.7 [N-]=[N+]=NCCCC(=O)O 08-4662 [0,1,1,0,0,0|2,0,0]=4 81 B8R0.28 CC(=O)NCCC(=O)O 04-013 [0,1,1,0,0,0|1,0,1]=4 82 B8R0.28 O=C(O)CCCC(=O)O 15-0500 [0,1,1,0,0,0|1,0,1]=4 83 B8R1.8 CNC[C@H]1CCOC1 08-5497 [1,1,0,0,0,0|2,0,0]=4 84 B8R1.8 COC[C@H]1CCCN1 020617 [1,1,0,0,0,0|1,0,1]=4 85 B8R1.8 COC[C@H]1CCCN1 04-2112 [1,1,0,0,0,0|1,0,1]=4 86 B8R1.8 NCC[C@H]1CCCO1 08-5690 [1,1,0,0,0,0|0,0,1]=3 87 B8R1.51 CC1(C)COC(=O)N1 08-5111 [1,1,0,0,0,0|2,0,0]=4 88 B10R1.14 COC(=O)[C@H]1CCC(=O)C1 08-2478 [0,2,0,0,0,0|1,0,1]=4 89 B8R1.4 C[C@H]1CC(=O)CCN1 08-7732 [0,0,1,1,0,0|2,0,0]=4 90 B8R1.34 CC(=O)NC1CNC1 08-4655 [0,0,1,1,0,0|2,0,0]=4 91 B8R1.3 N[C@H]1CCC(=O)NC1 08-4610 [0,0,1,1,0,0|2,0,0]=4 92 B8R1.22 O=C1CCCCCO1 19-1299 [0,0,1,1,0,0|0,0,0]=2 93 B8R1.22 O=C1CCSCCN1 08-5724 [0,0,1,1,0,0|2,0,0]=4 94 B8R2.34 C1CC2CCC1N2 08-4624 [1,0,0,1,0,0|1,0,1]=4 95 B8R2.34 C1CC2CCC1N2 20-2033 [1,0,0,1,0,0|1,0,1]=4 96 B8R2.34 C1O[C@@H]2CN[C@H]1C2 08-3289 [1,0,0,1,0,0|1,0,1]=4 97 B10R2.178 O=C1NCC2CCC1O2 08-5759 [0,0,0,1,0,1|1,0,0]=3 98 B10R2.71 O=C1C[C@@H]2CC[C@H](C1)N2 08-4626 [0,0,0,1,0,1|1,0,0]=3 99 B10R2.332 O=C1CC2(CN1)COC2 08-8065 [0,1,0,1,0,0|2,0,0]=4 100 B6R0.3 CC[C@H](N)C(=O)O 04-246 [0,0,1,0,1,0|2,0,0]=4 101 B6R0.3 CC[C@H](N)C(=O)O 04-247 [0,0,1,0,1,0|2,0,0]=4 102 B6R0.3 CN[C@@H](C)C(=O)O 04-2116 [0,0,1,0,1,0|2,0,0]=4 103 B6R1.6 BrC[C@H]1CCO1 08-4710 [1,0,0,0,1,0|1,0,0]=3 104 B6R1.6 CN[C@@H]1CCN1 08-6293 [1,0,0,0,1,0|2,0,0]=4 105 B6R1.6 IC[C@H]1CCO1 08-7488 [1,0,0,0,1,0|1,0,0]=3 106 B6R1.6 NCC1CCC1 08-5019 [1,0,0,0,1,0|1,0,1]=4 107 B6R1.6 NCC1CCC1 08-5062 [1,0,0,0,1,0|1,0,1]=4 108 B6R1.6 NC[C@H]1CCO1 08-5756 [1,0,0,0,1,0|1,0,0]=3 109 B6R1.6 OC[C@H]1CCO1 08-5757 [1,0,0,0,1,0|1,0,0]=3 110 B6R1.4 C[C@H]1COC1=O 08-7564 [1,0,0,0,1,0|1,0,0]=3 111 B6R1.5 NC1CC(=O)C1 08-4619 [1,0,0,0,1,0|2,0,0]=4 112 B6R1.5 O=C1CC(Br)C1 08-6789 [1,0,0,0,1,0|2,0,0]=4