0 B5R0.1 C/C=C/C(O)=O T5301 [0,0,0,0,0,0|2,0,1]=3 1 B5R0.1 CC(C)=CCO T4747 [0,0,0,0,0,0|1,0,2]=3 2 B5R0.1 CC(C)C=NO T4930 [0,0,0,0,0,0|2,0,0]=2 3 B5R0.1 CN(C)CC=O T19099 [0,0,0,0,0,0|2,0,1]=3 4 B5R0.1 CN(C)CC=O T19100 [0,0,0,0,0,0|2,0,1]=3 5 B5R0.1 C[C@@H](CCO)O T9257 [0,0,0,0,0,0|2,0,2]=4 6 B5R0.1 C[C@@H](O)CCO T19538 [0,0,0,0,0,0|2,0,2]=4 7 B5R0.1 ClC(Cl)=CC=C T31434 [0,0,0,0,0,0|2,0,2]=4 8 B5R0.1 [O-]C(=O)/C=C\Cl T29626 [0,0,0,0,0,0|3,0,1]=4 9 B4R0.1 CC(=O)C=O T19536 [1,0,0,0,0,0|2,0,1]=4 10 B4R0.1 CC(N)C=O T29820 [1,0,0,0,0,0|2,0,0]=3 11 B4R0.1 CC(N)CO T27792 [1,0,0,0,0,0|2,0,1]=4 12 B4R0.1 COC(C)=N T24458 [1,0,0,0,0,0|2,0,1]=4 13 B4R0.1 C[C@H](O)CO T12810 [1,0,0,0,0,0|2,0,1]=4 14 B4R0.2 CCNCC T31448 [1,0,0,0,0,0|1,0,1]=3 15 B4R0.2 CCNCC T9038 [1,0,0,0,0,0|1,0,1]=3 16 B4R0.2 CNCCO TN2779 [1,0,0,0,0,0|2,0,1]=4 17 B4R0.2 CSCC=C T5579 [1,0,0,0,0,0|1,0,2]=4 18 B4R0.2 CSSSC T8034 [1,0,0,0,0,0|3,0,0]=4 19 B6R0.2 CC(C)=CC(O)=O T5305 [0,1,0,0,0,0|1,0,1]=3 20 B6R0.2 CC(C)CC(N)=O T0361 [0,1,0,0,0,0|1,0,1]=3 21 B6R0.2 CC(C)CC(O)=O T5609 [0,1,0,0,0,0|1,0,1]=3 22 B6R0.2 CC(C)OC([S-])=S T20111 [0,1,0,0,0,0|2,0,0]=3 23 B6R0.2 CC(C)SC(N)=N T23300 [0,1,0,0,0,0|2,0,0]=3 24 B6R0.2 CC(CC(O)=O)N TN6756 [0,1,0,0,0,0|2,0,1]=4 25 B6R0.2 CC(O)CC(O)=O T4947 [0,1,0,0,0,0|2,0,1]=4 26 B6R0.2 CN(C)CC(O)=O T4120 [0,1,0,0,0,0|2,0,1]=4 27 B6R0.2 C[C@@H](O)CC(O)=O T5248 [0,1,0,0,0,0|2,0,1]=4 28 B6R0.2 C[C@H](O)CC(O)=O T13979 [0,1,0,0,0,0|2,0,1]=4 29 B6R0.3 C/C=C(/C)C(O)=O T3328 [0,1,0,0,0,0|2,0,1]=4 30 B6R0.3 C/C=C(\C)C(O)=O T5542 [0,1,0,0,0,0|2,0,1]=4 31 B6R0.4 CC(C)CCC=O T20931 [0,1,0,0,0,0|1,0,1]=3 32 B6R0.4 CN(C)NCCCl T32428 [0,1,0,0,0,0|2,0,1]=4 33 B6R0.4 NC/C=C/C(O)=O T23414 [0,1,0,0,0,0|2,0,1]=4 34 B6R0.4 OC/C=C/C(O)=O T23473 [0,1,0,0,0,0|2,0,1]=4 35 B6R1.2 CN1CCCC1 T8029 [0,0,0,1,0,0|1,0,2]=4 36 B6R1.2 C[c-]1cccc1 T20558 [0,0,0,1,0,0|0,0,3]=4 37 B6R1.2 Cn1ccnc1 T0575 [0,0,0,1,0,0|2,0,1]=4 38 B3R0.2 CC([O-])C T19372 [2,0,0,0,0,0|1,0,0]=3 39 B3R0.2 CN(C)C T4827 [2,0,0,0,0,0|1,0,0]=3 40 B5R0.3 CC(CCl)CCl T31230 [1,1,0,0,0,0|1,0,1]=4 41 B5R0.3 CCC(C)C=O T5090 [1,1,0,0,0,0|1,0,0]=3 42 B5R0.3 CCC(O)C=C TN6958 [1,1,0,0,0,0|1,0,0]=3 43 B5R0.3 OCC(O)C=O T4918 [1,1,0,0,0,0|2,0,0]=4 44 B5R0.5 CC(O)C(C)O T19094 [1,1,0,0,0,0|1,0,1]=4 45 B5R0.5 CC(O)C(O)=O TN6945 [1,1,0,0,0,0|2,0,0]=4 46 B5R0.5 CC(O)C([O-])=O T20574 [1,1,0,0,0,0|2,0,0]=4 47 B5R0.5 CC(O)C([O-])=O T32809 [1,1,0,0,0,0|2,0,0]=4 48 B5R0.5 CC(O)C([O-])=O T5220 [1,1,0,0,0,0|2,0,0]=4 49 B5R0.5 CN(C)C(C)=O T19439 [1,1,0,0,0,0|1,0,0]=3 50 B5R0.5 C[C@@H](N)C(O)=O T4811 [1,1,0,0,0,0|2,0,0]=4 51 B5R0.5 C[C@@H](O)C(O)=O T10943 [1,1,0,0,0,0|2,0,0]=4 52 B5R0.5 C[C@@H](O)[C@@H](C)O T4751 [1,1,0,0,0,0|1,0,1]=4 53 B5R0.5 C[C@H](N)C(O)=O TJO2729 [1,1,0,0,0,0|2,0,0]=4 54 B5R0.5 C[C@H](N)C(O)=O TN1003 [1,1,0,0,0,0|2,0,0]=4 55 B5R0.5 C[C@H](O)C(O)=O T4845 [1,1,0,0,0,0|2,0,0]=4 56 B5R0.5 C[C@H](O)C([O-])=O T4103 [1,1,0,0,0,0|2,0,0]=4 57 B5R0.5 O=C(O)[C@H](C)N T34103 [1,1,0,0,0,0|2,0,0]=4 58 B5R0.2 CCCSSC T39668 [1,1,0,0,0,0|1,0,1]=4 59 B7R0.2 CC(C)C[C@H](N)C=O T25675 [0,2,0,0,0,0|1,0,1]=4 60 B7R0.2 CC(C)C[C@H](N)CO T5652 [0,2,0,0,0,0|0,0,2]=4 61 B7R0.2 CCC(C)CC(O)=O T19122 [0,2,0,0,0,0|1,0,1]=4 62 B7R0.3 CO/C=C/C(=O)OC TN6402 [0,2,0,0,0,0|1,0,1]=4 63 B7R0.10 CCC(O)C(=O)CC T20376 [0,2,0,0,0,0|1,0,1]=4 64 B7R0.10 [C@@H](C(=O)OC)(CS)N T1547 [0,2,0,0,0,0|2,0,0]=4 65 B7R0.9 CC(=O)CC(C)(C)N TMA2536 [0,2,0,0,0,0|0,0,1]=3 66 B7R0.9 CC(C)(O)CC(O)=O T0613 [0,2,0,0,0,0|1,0,1]=4 67 B7R0.9 CC(O)CC(C)(C)O T0763 [0,2,0,0,0,0|0,0,2]=4 68 B7R0.16 CC(C)C(=O)C(O)=O T5232 [0,2,0,0,0,0|1,0,0]=3 69 B7R0.16 CC(C)C(O)C(O)=O T5273 [0,2,0,0,0,0|1,0,1]=4 70 B7R0.16 CC(C)[C@H](C(O)=O)N T9298 [0,2,0,0,0,0|1,0,1]=4 71 B7R0.16 CC(C)[C@H](N)C(O)=O T2O2776 [0,2,0,0,0,0|1,0,1]=4 72 B7R0.16 NC(C(C)C)C(O)=O T9294 [0,2,0,0,0,0|1,0,1]=4 73 B7R0.6 CC(C)CCC(O)=O T19138 [0,2,0,0,0,0|1,0,1]=4 74 B5R1.3 N#CC1CC1 T0536 [1,0,0,1,0,0|1,0,1]=4 75 B5R1.1 C1CC=CO1 T0654 [1,0,0,1,0,0|1,0,0]=3 76 B7R1.2 OC1CCC(=O)N1 TN3117 [0,1,0,1,0,0|2,0,0]=4 77 B7R1.3 CC1CCOCO1 T21291 [0,1,0,1,0,0|1,0,1]=4 78 B7R1.3 O=C1NCCC=C1 TN3081 [0,1,0,1,0,0|1,0,1]=4 79 B7R1.4 CC1OCCC1=O T8050 [0,1,0,1,0,0|1,0,1]=4 80 B7R1.4 CN1CCCC1=O T5851 [0,1,0,1,0,0|1,0,1]=4 81 B7R1.4 NC1CCSC1=O T5968 [0,1,0,1,0,0|2,0,0]=4 82 B7R1.4 N[C@H]1CCSC1=O T19393 [0,1,0,1,0,0|2,0,0]=4