0 B5R0.1 C#CCC(=O)O Amb6272489 [0,0,0,0,0,0|2,0,2]=4 1 B5R0.1 C=C(C)CCO Amb8513522 [0,0,0,0,0,0|1,0,1]=2 2 B5R0.1 CC(C)=CCO Amb4605830 [0,0,0,0,0,0|1,0,2]=3 3 B5R0.1 CC(C)CC=O Amb3939851 [0,0,0,0,0,0|1,0,2]=3 4 B5R0.1 CC(C)CCO Amb4605831 [0,0,0,0,0,0|1,0,0]=1 5 B5R0.1 CC(C)N=C=S Amb6565430 [0,0,0,0,0,0|2,1,1]=4 6 B5R0.1 CCCC(=O)O Amb3939012 [0,0,0,0,0,0|2,0,1]=3 7 B4R0.1 CC(S)CS Amb4034635 [1,0,0,0,0,0|0,2,0]=3 8 B4R0.1 CCC(C)C Amb8513244 [1,0,0,0,0,0|1,0,0]=2 9 B4R0.2 CCCCC Amb8513659 [1,0,0,0,0,0|1,0,0]=2 10 B6R0.1 CCCC(=O)CC Amb8513390 [0,1,0,0,0,0|1,0,2]=4 11 B6R0.1 CCCC(=O)OC Amb8516697 [0,1,0,0,0,0|1,0,2]=4 12 B6R0.1 CCCC(O)CC Amb4037277 [0,1,0,0,0,0|1,0,0]=2 13 B6R0.2 CC(C)CC(=O)O Amb3939848 [0,1,0,0,0,0|1,0,1]=3 14 B6R0.3 CC(C)C(N)CO Amb3939342 [0,1,0,0,0,0|1,0,0]=2 15 B6R0.3 CC(CN)C(=O)O Amb6600138 [0,1,0,0,0,0|2,0,1]=4 16 B6R0.3 CCC(N)C(=O)O Amb2694208 [0,1,0,0,0,0|2,0,1]=4 17 B6R0.3 COC(=O)C(C)O Amb3939672 [0,1,0,0,0,0|2,0,1]=4 18 B6R0.3 NC(CO)C(=O)O Amb2690463 [0,1,0,0,0,0|1,0,1]=3 19 B6R0.3 NC(CO)C(=O)O Amb6410375 [0,1,0,0,0,0|1,0,1]=3 20 B6R0.3 NC(CO)C(=O)O Amb8387621 [0,1,0,0,0,0|1,0,1]=3 21 B6R0.3 NC(CS)C(=O)O Amb3940755 [0,1,0,0,0,0|1,1,1]=4 22 B6R0.3 NC(CS)C(=O)O Amb6537913 [0,1,0,0,0,0|1,1,1]=4 23 B6R0.3 NC(CS)C(=O)O Amb8394603 [0,1,0,0,0,0|1,1,1]=4 24 B6R0.3 O=C(O)C(O)CO Amb4166319 [0,1,0,0,0,0|1,0,1]=3 25 B6R0.4 CC(C)CN=C=S Amb6565431 [0,1,0,0,0,0|1,1,1]=4 26 B6R0.4 CCCCC(=O)O Amb3939877 [0,1,0,0,0,0|2,0,1]=4 27 B6R0.4 CCCCC(C)O Amb4605977 [0,1,0,0,0,0|1,0,0]=2 28 B6R0.5 C[N+](C)(C)CCO Amb19748170 [0,1,0,0,0,0|2,0,0]=3 29 B5R0.3 NC(CO)CO Amb3939868 [1,1,0,0,0,0|1,0,0]=3 30 B5R0.3 OCC(O)CO Amb6608790 [1,1,0,0,0,0|0,0,0]=2 31 B5R0.5 CC(N)C(=O)O Amb3940457 [1,1,0,0,0,0|1,0,1]=4 32 B5R0.5 CC(N)C(=O)O Amb6298336 [1,1,0,0,0,0|1,0,1]=4 33 B5R0.5 CC(O)C(=O)O Amb6600026 [1,1,0,0,0,0|0,0,1]=3 34 B5R0.5 CC(O)C(C)O Amb8514566 [1,1,0,0,0,0|0,0,0]=2 35 B5R0.2 CC#CCCO Amb2721725 [1,1,0,0,0,0|0,0,1]=3 36 B5R0.2 CCCCCC Amb2447471 [1,1,0,0,0,0|1,0,0]=3 37 B7R0.5 CCCC(N)C(=O)O Amb8514700 [0,2,0,0,0,0|2,0,0]=4 38 B7R0.5 CCCC(N)C(=O)O Amb8514701 [0,2,0,0,0,0|2,0,0]=4 39 B7R0.5 NC(CCO)C(=O)O Amb6600040 [0,2,0,0,0,0|1,0,0]=3 40 B7R0.5 NC(CCO)C(=O)O Amb8514287 [0,2,0,0,0,0|1,0,0]=3 41 B7R0.5 NC(CCS)C(=O)O Amb6600039 [0,2,0,0,0,0|1,1,0]=4 42 B7R0.10 COC(=O)C(C)CO Amb17615445 [0,2,0,0,0,0|0,0,2]=4 43 B7R0.10 COC(=O)C(N)CO Amb8390418 [0,2,0,0,0,0|0,0,2]=4 44 B7R0.10 O=CC(O)C(O)CO Amb9825398 [0,2,0,0,0,0|0,0,1]=3 45 B7R0.10 OCC(O)C(O)CO Amb8513161 [0,2,0,0,0,0|0,0,0]=2 46 B7R0.16 CC(C)C(N)C(=O)O Amb2720566 [0,2,0,0,0,0|1,0,1]=4 47 B7R0.16 CC(O)C(N)C(=O)O Amb6297293 [0,2,0,0,0,0|0,0,1]=3 48 B7R0.16 CC(O)C(N)C(=O)O Amb6599999 [0,2,0,0,0,0|0,0,1]=3 49 B7R0.16 CC(O)C(N)C(=O)O Amb8514159 [0,2,0,0,0,0|0,0,1]=3 50 B7R0.4 CCCCCC(C)C Amb8513253 [0,2,0,0,0,0|2,0,0]=4 51 B7R0.6 CC(=O)CCC(=O)O Amb534169 [0,2,0,0,0,0|0,0,2]=4 52 B5R1.3 OCC1CO1 Amb8389331 [1,0,0,1,0,0|0,0,0]=2 53 B7R1.1 OCC1CCCN1 Amb2237182 [0,1,0,1,0,0|2,0,0]=4 54 B7R1.3 O=C1COCCN1 Amb15691115 [0,1,0,1,0,0|0,0,2]=4 55 B7R1.4 CC1CCOC1=O Amb16185414 [0,1,0,1,0,0|0,0,1]=3