0 B8R1.50 CC1=C(O)C(=O)CC1 5650AL [0,0,0,0,0,0|0,0,2]=2 1 B8R1.50 CC1CCC(=O)N1C 0337AQ [0,0,0,0,0,0|2,0,0]=2 2 B7R1.2 CC1CCC(=O)C1 7470AF [1,0,0,0,0,0|0,0,1]=2 3 B7R1.2 CC1CCC(C)N1 Y8778 [1,0,0,0,0,0|2,0,1]=4 4 B7R1.2 C[C@@H]1CC[C@@H](C)N1 8295AH [1,0,0,0,0,0|2,0,1]=4 5 B7R1.2 C[C@@H]1CC[C@@H](C)N1 8559AH [1,0,0,0,0,0|2,0,1]=4 6 B7R1.2 C[C@H]1CC[C@H](C)N1 8586AH [1,0,0,0,0,0|2,0,1]=4 7 B7R1.4 CC1=C(S)CCO1 R544 [1,0,0,0,0,0|2,1,0]=4 8 B7R1.4 C[C@@H]1CCC[C@H]1O S086 [1,0,0,0,0,0|0,0,3]=4 9 B7R1.4 NC1=CCOC1=O 3957AB [1,0,0,0,0,0|2,0,1]=4 10 B7R1.4 NC1CCNC1=O W4818 [1,0,0,0,0,0|2,0,0]=3 11 B7R1.4 N[C@@H]1CCNC1=O 1294AB [1,0,0,0,0,0|2,0,0]=3 12 B7R1.4 N[C@H]1CCNC1=O 5681AB [1,0,0,0,0,0|2,0,0]=3 13 B7R1.4 O=C1OCC=C1Br 1872AC [1,0,0,0,0,0|2,0,1]=4 14 B7R1.4 O=C1O[Ba]OC1=O 6788AF [1,0,0,0,0,0|3,0,0]=4 15 B7R1.4 O=C1O[Ca]OC1=O 6793AF [1,0,0,0,0,0|3,0,0]=4 16 B7R1.4 O=C1O[Cu]OC1=O 6805AF [1,0,0,0,0,0|3,0,0]=4 17 B7R1.4 O=C1O[Mn]OC1=O 6901AF [1,0,0,0,0,0|3,0,0]=4 18 B7R1.4 O=C1O[PbH2]OC1=O Z1767 [1,0,0,0,0,0|3,0,0]=4 19 B7R1.4 O=C1O[Sr]OC1=O 6917AF [1,0,0,0,0,0|3,0,0]=4 20 B7R1.4 O=C1O[Zn]OC1=O 6920AF [1,0,0,0,0,0|3,0,0]=4 21 B9R1.37 C[C@H]1CN(O)C(=O)[C@H]1N 4755AJ [0,1,0,0,0,0|2,0,1]=4 22 B9R1.132 COC1=C(Br)C(=O)CC1 Y6053 [0,1,0,0,0,0|1,0,1]=3 23 B7R0.3 CCCOC(=O)CCl U589 [0,0,1,0,0,0|2,0,1]=4 24 B7R0.3 CCCOC(=O)CN 3440AL [0,0,1,0,0,0|2,0,1]=4 25 B7R0.3 COC(=O)CCCO 3568AL [0,0,1,0,0,0|3,0,0]=4 26 B7R0.3 C\C=C(/C)CCCC 6098AL [0,0,1,0,0,0|2,0,0]=3 27 B7R0.10 CCC(C)C(=O)SC U625 [0,0,1,0,0,0|2,0,0]=3 28 B7R0.10 COC(=O)C(C)CN X3684 [0,0,1,0,0,0|3,0,0]=4 29 B7R1.15 O=C1C=C([O-])C1=O 8854AJ [0,0,0,0,1,0|1,0,2]=4 30 B9R1.3 O=C1NCCC(O)C1Cl 9133AF [0,0,0,0,0,1|2,0,1]=4 31 B9R1.69 CC1CNC(=O)CC1=O X9250 [0,0,0,0,0,1|1,0,0]=2 32 B9R1.69 CC1CNC(=O)NC1=O K164 [0,0,0,0,0,1|1,0,0]=2 33 B9R1.69 CN1CCC(N)CC1=O 2791AF [0,0,0,0,0,1|2,0,1]=4 34 B9R1.69 NC1CCC(=O)NC1=O 9455AJ [0,0,0,0,0,1|1,0,0]=2 35 B9R1.69 N[C@@H]1CCC(=O)NC1=O 8996AH [0,0,0,0,0,1|1,0,0]=2 36 B6R0.1 C=CC(=O)COC S897 [1,0,1,0,0,0|2,0,0]=4 37 B6R0.1 CCOC(=O)CF C411 [1,0,1,0,0,0|2,0,0]=4 38 B6R0.1 C\C=C\C(C)CC 6598AL [1,0,1,0,0,0|1,0,0]=3 39 B6R0.4 CN(C)CCC=O 0848AC [1,0,1,0,0,0|1,0,1]=4 40 B6R0.3 C=C(C)C(=O)OC P536 [1,0,1,0,0,0|2,0,0]=4 41 B6R0.3 C=C(C)C(C)CC 7776AF [1,0,1,0,0,0|1,0,0]=3 42 B6R0.3 CC(C)C(Br)C=O 9932AB [1,0,1,0,0,0|1,0,1]=4 43 B6R0.3 CC[C@H](C)C(=O)O Z9667 [1,0,1,0,0,0|0,0,1]=3 44 B6R0.3 COC(=O)C(C)N X3707 [1,0,1,0,0,0|2,0,0]=4 45 B6R0.3 COC(=O)C(N)=O L906 [1,0,1,0,0,0|2,0,0]=4 46 B6R0.2 CC(=O)\C=C(\C)[O-] 7375AF [1,0,1,0,0,0|1,0,1]=4 47 B6R0.2 CC(C)CC(=O)Cl V2138 [1,0,1,0,0,0|1,0,1]=4 48 B6R0.2 CC(C)CC(=O)[O-] 7399AF [1,0,1,0,0,0|1,0,1]=4 49 B6R0.2 CC(C)CC(=O)[O-] 7400AF [1,0,1,0,0,0|1,0,1]=4 50 B6R1.2 CC1=[C-]CC=C1 Y1619 [2,0,0,0,0,0|0,0,2]=4 51 B6R1.2 CC1C=COC1 8769AA [2,0,0,0,0,0|1,0,0]=3 52 B6R1.2 O=C1C=CNC1 8696AB [2,0,0,0,0,0|1,0,1]=4 53 B6R1.2 O=C1CCNC1 R079 [2,0,0,0,0,0|1,0,1]=4 54 B8R0.6 CCCCCC(=O)SC U833 [0,1,1,0,0,0|2,0,0]=4 55 B8R0.6 CCCCOC(=O)C=O 3194AL [0,1,1,0,0,0|0,0,0]=2 56 B8R0.8 CC(=O)C(C)CCC#N 7950AC [0,1,1,0,0,0|1,0,1]=4 57 B8R0.9 C=CC(=O)OCC(C)O Z5430 [0,1,1,0,0,0|2,0,0]=4 58 B8R0.11 COC(CCC=O)OC 8294AB [0,1,1,0,0,0|2,0,0]=4 59 B8R0.2 CCC(C)[C@H](Cl)C(=O)O Z6070 [0,1,1,0,0,0|1,0,1]=4 60 B8R1.1 O=C1C[C@H](CF)CO1 2632AC [1,1,0,0,0,0|1,0,1]=4 61 B8R1.51 O=C1CCC(F)(F)C1 3912AA [1,1,0,0,0,0|1,0,1]=4 62 B10R1.176 CN1CCC(CO)CC1=O 7090AD [0,1,0,0,0,1|2,0,0]=4 63 B8R1.2 O=CC1CCCCN1 Z3377 [0,0,1,1,0,0|1,0,1]=4 64 B8R1.5 CC1CCNCC1=O 2896AJ [0,0,1,1,0,0|2,0,0]=4 65 B8R1.22 O=C1CCCCCN1 X5632 [0,0,1,1,0,0|2,0,0]=4 66 B6R1.4 O=C1CCC1Br 0705AD [1,0,0,0,1,0|1,0,0]=3 67 B6R1.4 O=C1CCC1Cl 7041AD [1,0,0,0,1,0|1,0,0]=3 68 B8R0.23 C=C(CN(C)C)C(C)=O 9427AJ [0,0,1,0,0,1|2,0,0]=4 69 B8R0.23 CC(C)CC(=O)C(=O)[O-] 9511AJ [0,0,1,0,0,1|1,0,0]=3 70 B8R1.4 CC1=CC(O)CCC1 X4463 [1,0,0,0,0,1|2,0,0]=4 71 B8R1.4 CC1CCOC(=O)C1 2149AA [1,0,0,0,0,1|0,0,1]=3 72 B8R1.4 C[C@H]1CNCC(=O)N1 7823AA [1,0,0,0,0,1|1,0,0]=3 73 B8R1.4 NC1CCCC(=O)C1 7456AA [1,0,0,0,0,1|1,0,1]=4 74 B8R1.4 NC1CCCC(=O)C1 V9436 [1,0,0,0,0,1|1,0,1]=4 75 B8R1.4 NC1CCNC(=O)C1 V1291 [1,0,0,0,0,1|1,0,1]=4