0 B8R0.8 C[C@H](N)C(CCCC)=O AK-49433 [0,0,0,0,0,0|3,0,0]=3 1 B7R0.3 C=CC(NCCN)=O AK142923 [1,0,0,0,0,0|1,0,2]=4 2 B7R0.3 O=C(OC)CCCBr AK-94853 [1,0,0,0,0,0|3,0,0]=4 3 B7R0.4 CC(O)CNCCO AK142435 [1,0,0,0,0,0|0,0,1]=2 4 B7R0.5 CC(C)C(=O)CC#N AK-34559 [1,0,0,0,0,0|2,0,1]=4 5 B7R0.5 CC(C)C(OCCl)=O AK163215 [1,0,0,0,0,0|3,0,0]=4 6 B7R0.5 CCOC(=O)C(C)N AK-46063 [1,0,0,0,0,0|2,0,0]=3 7 B7R0.5 CCOC([C@@H](C)O)=O AK-46630 [1,0,0,0,0,0|1,0,0]=2 8 B7R0.5 C[C@H](N)C(OCC)=O AK-49256 [1,0,0,0,0,0|2,0,0]=3 9 B7R0.5 N[C@H](C)C(OCC)=O AK-49997 [1,0,0,0,0,0|2,0,0]=3 10 B9R0.7 O=C(O)CNC(C(S)C)=O AK501603 [0,1,0,0,0,0|0,1,1]=3 11 B9R0.47 C(C(=C)C)(=O)NCCCN AK-39332 [0,1,0,0,0,0|2,0,1]=4 12 B9R0.47 C[C@H](N)C(OCCCC)=O AK-76562 [0,1,0,0,0,0|3,0,0]=4 13 B9R1.5 O=C1NCCCCC1N AK-77858 [0,0,0,1,0,0|2,0,0]=3 14 B9R1.5 O=C1NCCCC[C@@H]1N AK-86770 [0,0,0,1,0,0|2,0,0]=3 15 B9R1.5 O=C1NCCCC[C@H]1N AK-34544 [0,0,0,1,0,0|2,0,0]=3 16 B9R1.5 O=C1NCCCC[C@H]1N AK-95591 [0,0,0,1,0,0|2,0,0]=3 17 B9R1.6 CC(C1NCCOC1)C AK102280 [0,0,0,1,0,0|2,0,1]=4 18 B9R1.40 O=C1NCCNC1(C)C AK-45892 [0,0,0,1,0,0|2,0,0]=3 19 B6R0.1 O=C(NCC)CN AK-65785 [2,0,0,0,0,0|1,0,0]=3 20 B6R0.1 O=C(OC)CCBr AK-91613 [2,0,0,0,0,0|2,0,0]=4 21 B6R0.1 O=C(OC)CCN AK-46776 [2,0,0,0,0,0|2,0,0]=4 22 B6R0.1 O=C(OC)CCO AK-83355 [2,0,0,0,0,0|1,0,0]=3 23 B6R0.1 O=C(OC)OCC AK397345 [2,0,0,0,0,0|2,0,0]=4 24 B6R0.1 O=C(OCC)CO AK-98662 [2,0,0,0,0,0|1,0,0]=3 25 B6R0.4 CC(C)NCCCl AK110294 [2,0,0,0,0,0|2,0,0]=4 26 B6R0.4 CC(CCCCl)=O AK-48368 [2,0,0,0,0,0|2,0,0]=4 27 B6R0.4 CC(OCCBr)=O AK165045 [2,0,0,0,0,0|2,0,0]=4 28 B6R0.4 O=C(N)NCCO AK121931 [2,0,0,0,0,0|1,0,0]=3 29 B6R0.4 O=C(O)CCCCl AK113749 [2,0,0,0,0,0|2,0,0]=4 30 B6R0.4 O=C(O)CCCN AK-43987 [2,0,0,0,0,0|2,0,0]=4 31 B6R0.6 CCCNCCO AK-60790 [2,0,0,0,0,0|0,0,1]=3 32 B6R0.6 C\C=C\CCCO AK-46431 [2,0,0,0,0,0|1,0,1]=4 33 B6R0.3 CC(N)C(OC)=O AK-48822 [2,0,0,0,0,0|2,0,0]=4 34 B6R0.3 CCC(=O)C(O)=O AK-48379 [2,0,0,0,0,0|1,0,1]=4 35 B6R0.3 CCC(N(C)C)=O AK105976 [2,0,0,0,0,0|2,0,0]=4 36 B6R0.3 C[C@@H](O)[C@H](N)CO AK-61256 [2,0,0,0,0,0|1,0,1]=4 37 B6R0.3 C[C@H](N)C(NC)=O AK-90374 [2,0,0,0,0,0|1,0,0]=3 38 B6R0.3 C[C@H](O)[C@@H](N)CO AK-81264 [2,0,0,0,0,0|1,0,1]=4 39 B6R0.3 N[C@@H](C)C(OC)=O AK-46616 [2,0,0,0,0,0|2,0,0]=4 40 B6R0.3 N[C@H](C)C(OC)=O AK-49396 [2,0,0,0,0,0|2,0,0]=4 41 B8R0.1 CCOC(=O)CCCI AK102411 [1,1,0,0,0,0|2,0,0]=4 42 B8R0.1 CCOC(=O)CCCN AK-47111 [1,1,0,0,0,0|2,0,0]=4 43 B8R0.1 O=C(OCC)CCCBr AK-41609 [1,1,0,0,0,0|2,0,0]=4 44 B8R0.6 C(Cl)C(=O)NCCCC AK-59895 [1,1,0,0,0,0|2,0,0]=4 45 B8R0.6 O=C(OC)CCCOC AK151485 [1,1,0,0,0,0|2,0,0]=4 46 B8R0.9 O=C(O)CNC(CN)=O AK-46058 [1,1,0,0,0,0|1,0,1]=4 47 B8R0.9 O=C(O)CNC(OC)=O AK158445 [1,1,0,0,0,0|1,0,1]=4 48 B8R0.2 CC(C)C(N(OC)C)=O AK108098 [1,1,0,0,0,0|2,0,0]=4 49 B8R0.14 CCOC(=O)C(C)(C)N AK-54013 [1,1,0,0,0,0|2,0,0]=4 50 B8R0.23 CC(C)OC([C@H](C)N)=O AK-40023 [1,1,0,0,0,0|2,0,0]=4 51 B8R0.23 C[C@H](N)C(OC(C)C)=O AK136097 [1,1,0,0,0,0|2,0,0]=4 52 B10R0.28 BrCCNC(OC(C)(C)C)=O AK-27139 [0,1,0,0,0,1|2,0,0]=4 53 B10R0.28 C(=O)(OC(C)(C)C)NCCCl AK-50072 [0,1,0,0,0,1|2,0,0]=4 54 B10R0.28 CC(C)(C)OC(=O)NCCO AK-73054 [0,1,0,0,0,1|1,0,0]=3 55 B10R0.28 NCCNC(OC(C)(C)C)=O AK-47125 [0,1,0,0,0,1|2,0,0]=4 56 B10R0.28 O=C(OC(C)(C)C)NCCN AK-38370 [0,1,0,0,0,1|2,0,0]=4 57 B10R0.96 O=C(O)CNC(CC(C)C)=O AK-61155 [0,1,0,0,0,1|1,0,1]=4 58 B8R1.1 O=C1NC(CO)CC1 AK114000 [1,0,0,1,0,0|0,0,0]=2 59 B8R1.1 O=C1N[C@@H](CBr)CC1 AK-45071 [1,0,0,1,0,0|1,0,0]=3 60 B8R1.1 O=C1N[C@H](CBr)CC1 AK-45147 [1,0,0,1,0,0|1,0,0]=3 61 B8R1.1 O=C1OC[C@H](CI)N1 AK131031 [1,0,0,1,0,0|2,0,0]=4 62 B8R1.1 OC[C@@H]1CCC(=O)N1 AK-25498 [1,0,0,1,0,0|0,0,0]=2 63 B8R1.1 OC[C@@H]1NC[C@H](O)C1 AK516296 [1,0,0,1,0,0|1,0,1]=4 64 B8R1.1 OC[C@H]1CCC(=O)N1 AK-26242 [1,0,0,1,0,0|0,0,0]=2 65 B8R1.1 O[C@H]1CN[C@H](CO)C1 AK158520 [1,0,0,1,0,0|1,0,1]=4 66 B8R1.2 CC[C@@H]1NCCOC1 AK-45140 [1,0,0,1,0,0|1,0,1]=4 67 B8R1.2 OC[C@@H]1COCCN1 AK-54783 [1,0,0,1,0,0|1,0,1]=4 68 B8R1.2 OC[C@@H]1NCCOC1 AK-51349 [1,0,0,1,0,0|1,0,1]=4 69 B8R1.2 OC[C@H]1COCCN1 AK-59902 [1,0,0,1,0,0|1,0,1]=4 70 B8R1.3 O=C1CCC(N)CC1 AK-46313 [1,0,0,1,0,0|2,0,0]=4 71 B8R1.3 O=C1COC(O)C=C1 AK-82130 [1,0,0,1,0,0|1,0,1]=4 72 B8R1.3 O=C1NCC(N)CC1 AK132996 [1,0,0,1,0,0|1,0,0]=3 73 B8R1.3 O=C1NCC(O)CC1 AK-54796 [1,0,0,1,0,0|0,0,0]=2 74 B8R1.3 O=C1NC[C@@H](N)CC1 AK121888 [1,0,0,1,0,0|1,0,0]=3 75 B8R1.3 O=C1NC[C@@H](O)CC1 AK-76841 [1,0,0,1,0,0|0,0,0]=2 76 B8R1.3 OC1CCC(=O)CC1 AK-46440 [1,0,0,1,0,0|1,0,0]=3 77 B8R1.5 NC1CCCNC1=O AK-32522 [1,0,0,1,0,0|2,0,0]=4 78 B8R1.5 O=C1NCCCC1N AK-58866 [1,0,0,1,0,0|2,0,0]=4 79 B8R1.5 O=C1NCCCC1O AK-25552 [1,0,0,1,0,0|1,0,0]=3 80 B8R1.5 O=C1NCCC[C@@H]1N AK-34760 [1,0,0,1,0,0|2,0,0]=4 81 B8R1.5 O=C1NCCN[C@@H]1C AK102951 [1,0,0,1,0,0|1,0,0]=3 82 B8R1.22 N1CCCC(CC1)=O AK-26041 [1,0,0,1,0,0|2,0,0]=4 83 B8R1.22 O=C1CNCCCN1 AK-94980 [1,0,0,1,0,0|2,0,0]=4 84 B8R1.22 O=C1NCCNCC1 AK-25582 [1,0,0,1,0,0|1,0,0]=3 85 B8R1.22 O=C1NCCOCC1 AK158455 [1,0,0,1,0,0|0,0,0]=2 86 B8R1.22 O=C1OCCCCC1 AK164169 [1,0,0,1,0,0|2,0,0]=4 87 B8R1.40 O=C(NC1CC1)CCl AK115237 [1,0,0,1,0,0|2,0,0]=4 88 B8R1.50 O=C1OC[C@@H](O)[C@H]1O AK158528 [1,0,0,1,0,0|1,0,0]=3 89 B8R1.4 C[C@H]1O[C@H](C)CNC1 AK-67874 [1,0,0,1,0,0|1,0,1]=4 90 B8R1.72 CC1(C)CNCCO1 AK113050 [1,0,0,1,0,0|1,0,1]=4 91 B8R1.72 CC1(C)CNCCO1 AK128847 [1,0,0,1,0,0|1,0,1]=4 92 B10R1.36 O=C1N[C@H](CO)CC1(F)F AK133320 [0,1,0,1,0,0|1,0,0]=3 93 B10R1.34 O[C@H]1[C@H]([C@@H](CO)OC1=O)O AK307810 [0,1,0,1,0,0|1,0,0]=3 94 B10R2.178 O=C1C2CC(CC2)CN1 AK311924 [0,0,0,2,0,0|2,0,0]=4