0 B7R0.6 C=C(Cl)CSC(C)=O 08-5077 [0,0,0,0,0,0|1,1,2]=4 1 B7R0.6 CC(=O)NCC(=O)O 04-2739 [0,0,0,0,0,0|3,0,1]=4 2 B7R0.6 CC(=O)OCC(C)C 025143S [0,0,0,0,0,0|0,0,0]=0 3 B7R0.6 CC(=O)OCC(F)F 26-661 [0,0,0,0,0,0|2,0,0]=2 4 B6R0.4 CCCCC(=O)O 025124 [1,0,0,0,0,0|2,0,0]=3 5 B6R0.4 CCCCC(=O)O 71-0509 [1,0,0,0,0,0|2,0,0]=3 6 B6R0.4 NCCCC(=O)O 020706 [1,0,0,0,0,0|3,0,0]=4 7 B6R0.4 NCCCC(=O)O 06-1637 [1,0,0,0,0,0|3,0,0]=4 8 B8R0.23 CC(C)C[C@H](N)C(=O)O 04-1892 [0,1,0,0,0,0|2,0,0]=3 9 B8R0.23 CC(C)C[C@H](N)C(=O)O BIO-234 [0,1,0,0,0,0|2,0,0]=3 10 B8R0.23 CC(C)C[C@H](N)C(N)=O 04-1898 [0,1,0,0,0,0|2,0,0]=3 11 B8R0.23 CC(C)C[C@H](N)C(N)=O 20-3200 [0,1,0,0,0,0|2,0,0]=3 12 B8R0.23 CC(C)C[C@H](N)C(N)=O 22-401 [0,1,0,0,0,0|2,0,0]=3 13 B8R0.29 CC(=O)OCC(F)(F)F 09-2437 [0,1,0,0,0,0|2,0,0]=3 14 B8R1.3 N[C@H]1CCC(=O)NC1 08-4610 [0,0,0,1,0,0|2,0,0]=3 15 B8R1.23 CN1CC(C(=O)O)C1 08-5371 [0,0,0,1,0,0|3,0,0]=4 16 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 08-4576 [0,0,0,1,0,0|3,0,0]=4 17 B8R1.23 N[C@H]1C[C@H](C(=O)O)C1 08-4577 [0,0,0,1,0,0|3,0,0]=4 18 B8R1.23 O=C(O)C1CC(F)C1 08-5243 [0,0,0,1,0,0|3,0,0]=4 19 B8R1.51 CC1(C)COC(=O)N1 08-5111 [0,0,0,1,0,0|1,0,0]=2 20 B6R0.2 CC(C)CB(O)O 08-353 [0,0,0,0,1,0|2,0,1]=4 21 B6R0.2 CC(C)CC(=O)O 022864S [0,0,0,0,1,0|1,0,0]=2 22 B6R0.2 C[C@H](O)CC(=O)O 021350 [0,0,0,0,1,0|2,0,0]=3 23 B8R0.28 CC(=O)O[Pd]OC(C)=O 08-815 [0,0,0,0,0,1|2,0,1]=4 24 B5R0.1 C=C(C)OCC 08-3147 [2,0,0,0,0,0|1,0,0]=3 25 B5R0.1 CCCC(=O)O 10-0400 [2,0,0,0,0,0|1,0,0]=3 26 B5R0.1 CNCC(=O)O 04-2418 [2,0,0,0,0,0|2,0,0]=4 27 B5R0.1 CNCC(=O)O BIO-957 [2,0,0,0,0,0|2,0,0]=4 28 B5R0.1 CNCC(N)=O 04-2420 [2,0,0,0,0,0|2,0,0]=4 29 B5R0.1 NCCC(=O)O 025502 [2,0,0,0,0,0|2,0,0]=4 30 B5R0.1 O=C(O)CCCl CS-222 [2,0,0,0,0,0|2,0,0]=4 31 B5R0.2 CCCCCC 05-0600 [2,0,0,0,0,0|1,0,1]=4 32 B7R0.2 CC[C@H](C)CC(=O)O CS-801 [1,1,0,0,0,0|2,0,0]=4 33 B7R0.2 CC[C@H](O)CC(=O)O 14-0503 [1,1,0,0,0,0|2,0,0]=4 34 B7R0.3 CCCCC(=O)OC 20-0500 [1,1,0,0,0,0|1,0,0]=3 35 B7R0.3 COC(=O)CCCBr CS-741 [1,1,0,0,0,0|2,0,0]=4 36 B7R0.4 CC(=O)OOCCBr 19-1062 [1,1,0,0,0,0|1,0,0]=3 37 B7R0.4 CCCCCC(=O)O 10-0600 [1,1,0,0,0,0|2,0,0]=4 38 B7R0.4 CCCCO[N+](=O)[O-] 08-160 [1,1,0,0,0,0|2,0,0]=4 39 B7R0.4 NCCCCC(=O)O 12-902 [1,1,0,0,0,0|2,0,0]=4 40 B7R0.5 CCC[C@H](C)C(=O)O CS-800 [1,1,0,0,0,0|2,0,0]=4 41 B7R0.5 CCC[C@H](N)C(=O)O 021880 [1,1,0,0,0,0|2,0,0]=4 42 B7R0.5 CCC[C@H](N)C(=O)O 04-2202 [1,1,0,0,0,0|2,0,0]=4 43 B7R0.5 CCC[C@H](N)C(N)=O 04-2207 [1,1,0,0,0,0|2,0,0]=4 44 B7R0.9 CC(=O)CC(F)(F)F 09-2419 [0,1,0,0,1,0|2,0,0]=4 45 B7R0.9 CN(C)(C)CC(=O)O 06-316 [0,1,0,0,1,0|2,0,0]=4 46 B7R0.9 C[N+](C)(C)CC(=O)O 26-0800-97 [0,1,0,0,1,0|2,0,0]=4 47 B7R0.16 CC(C)[C@H](N)C(=O)O 04-2664 [0,1,0,0,1,0|1,0,0]=3 48 B7R0.16 CC(C)[C@H](N)C(=O)O BIO-433 [0,1,0,0,1,0|1,0,0]=3 49 B7R0.16 CC(C)[C@H](N)C(N)=O 04-2669 [0,1,0,0,1,0|1,0,0]=3 50 B7R0.16 CC(C)[C@H](N)C(N)=O 04-2670 [0,1,0,0,1,0|1,0,0]=3 51 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O 022308 [0,1,0,0,1,0|2,0,0]=4 52 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O 023234 [0,1,0,0,1,0|2,0,0]=4 53 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O 025644 [0,1,0,0,1,0|2,0,0]=4 54 B7R0.16 C[C@@H](O)[C@H](N)C(N)=O 04-2498 [0,1,0,0,1,0|2,0,0]=4 55 B7R0.16 C[C@H](O)[C@H](N)C(=O)O BIO-965 [0,1,0,0,1,0|2,0,0]=4 56 B9R0.56 CC(=O)SCCN(C)(C)C BIO-491 [0,1,0,0,0,1|1,1,0]=4 57 B9R0.56 CC(C)=CCO[P@@](C)(=O)O 68-1310 [0,1,0,0,0,1|1,0,1]=4 58 B9R0.56 CC(C)CCOP(=O)(O)O 68-1210 [0,1,0,0,0,1|2,0,0]=4 59 B9R0.23 COC(=O)[C@@H](N)CC(C)C 04-1916 [0,2,0,0,0,0|1,0,0]=3 60 B9R0.23 COC(=O)[C@@H](N)CC(C)C 20-1854 [0,2,0,0,0,0|1,0,0]=3 61 B9R0.11 CC(C)C[C@](C)(N)C(=O)O 04-279 [0,2,0,0,0,0|2,0,0]=4 62 B7R1.2 CN1CCC(=O)C1 08-3269 [1,0,0,1,0,0|2,0,0]=4 63 B7R1.3 C[C@H]1COCCO1 27-297 [1,0,0,1,0,0|1,0,1]=4 64 B7R1.3 N[C@H]1CCCOC1 08-5691 [1,0,0,1,0,0|1,0,1]=4 65 B7R1.3 O=C1CCCNC1 08-7861 [1,0,0,1,0,0|2,0,0]=4 66 B7R1.3 O=C1CCCOC1 08-7989 [1,0,0,1,0,0|2,0,0]=4 67 B7R1.3 O=C1CCCSC1 08-7956 [1,0,0,1,0,0|2,0,0]=4 68 B7R1.3 O=C1CCNCC1 06-1702 [1,0,0,1,0,0|2,0,0]=4 69 B7R1.3 O=C1CCSCC1 08-5722 [1,0,0,1,0,0|2,0,0]=4 70 B7R1.3 O=C1COCCN1 08-7686 [1,0,0,1,0,0|2,0,0]=4 71 B7R1.10 O=C1CC(CO)C1 08-5307 [1,0,0,1,0,0|2,0,0]=4 72 B7R1.14 CC1(C)CCNC1 08-5140 [1,0,0,1,0,0|1,0,1]=4 73 B9R1.35 CC(=O)N1CC[C@H](O)C1 08-6360 [0,0,0,1,0,1|2,0,0]=4 74 B9R1.10 O=C1CCC(F)(F)CC1 08-3958 [0,1,0,1,0,0|2,0,0]=4 75 B9R1.69 CN1C[C@@H](N)CCC1=O 08-4611 [0,1,0,1,0,0|2,0,0]=4 76 B9R1.80 COC(=O)\C=C\C1CC1 08-10543 [0,1,0,1,0,0|1,0,1]=4 77 B9R1.82 COC(=O)C1CC(O)C1 08-5394 [0,1,0,1,0,0|2,0,0]=4 78 B9R1.82 COC(=O)[C@H]1C[C@H](N)C1 08-7544 [0,1,0,1,0,0|2,0,0]=4 79 B9R1.137 CC(=O)CC(=O)C1CC1 08-5079 [0,1,0,1,0,0|1,0,1]=4 80 B9R1.164 CC1(C)C=C(C(=O)O)C1 08-7131 [0,1,0,1,0,0|2,0,0]=4 81 B5R0.5 CC(=O)C(F)F 27-108 [0,0,0,0,2,0|2,0,0]=4 82 B5R0.5 CC(=O)[C@H](C)F 26-3573 [0,0,0,0,2,0|1,0,0]=3 83 B5R0.5 CC(C)C(N)=O 08-2289 [0,0,0,0,2,0|1,0,0]=3 84 B5R0.5 CC(C)C(N)=S 08-2423 [0,0,0,0,2,0|1,1,0]=4 85 B5R0.5 C[C@H](Cl)C(=O)Cl CS-223 [0,0,0,0,2,0|2,0,0]=4 86 B5R0.5 C[C@H](N)C(=O)O 04-113 [0,0,0,0,2,0|2,0,0]=4 87 B5R0.5 C[C@H](N)C(=O)O BIO-434 [0,0,0,0,2,0|2,0,0]=4 88 B5R0.5 C[C@H](N)C(=O)O BIO-440 [0,0,0,0,2,0|2,0,0]=4 89 B5R0.5 C[C@H](N)C(N)=O 04-120 [0,0,0,0,2,0|2,0,0]=4 90 B5R0.5 C[C@H](N)C(N)=O 04-121 [0,0,0,0,2,0|2,0,0]=4 91 B5R0.5 C[C@H](O)C(=O)O BIO-636 [0,0,0,0,2,0|2,0,0]=4 92 B9R0.55 CC(C)CCCCC(=O)O 11-0706 [0,0,0,0,0,2|2,0,0]=4 93 B9R0.55 CC(C)CCNCC(=O)O 41-0553 [0,0,0,0,0,2|2,0,0]=4