0 B4R0.1 C#CC(C)Cl 6017AL [0,0,0,0,0,0|2,0,2]=4 1 B4R0.1 CC(N)C#N V7482 [0,0,0,0,0,0|3,0,1]=4 2 B4R0.1 CC(S)CS 4476AL [0,0,0,0,0,0|2,1,1]=4 3 B4R0.1 CCC(=O)S Y1833 [0,0,0,0,0,0|2,0,0]=2 4 B4R0.1 O=CC(=O)[O-] 6895AF [0,0,0,0,0,0|3,0,0]=3 5 B3R0.1 C=CCF 0124AF [1,0,0,0,0,0|2,0,1]=4 6 B3R0.1 CC#CI 4962AL [1,0,0,0,0,0|2,0,1]=4 7 B3R0.1 F\C=C\Cl 3974AE [1,0,0,0,0,0|3,0,0]=4 8 B3R0.2 CC(=O)O O309 [1,0,0,0,0,0|0,0,0]=1 9 B3R0.2 CC(=O)[O-] E849 [1,0,0,0,0,0|0,0,1]=2 10 B3R0.2 O=C([O-])[O-] 8474AF [1,0,0,0,0,0|1,0,1]=3 11 B3R0.2 O=I(=O)[O-] 8775AF [1,0,0,0,0,0|2,0,1]=4 12 B3R0.2 O=[N+]([O-])[O-] 5376AF [1,0,0,0,0,0|2,0,1]=4 13 B3R0.2 O=[Si](O)O 8695AF [1,0,0,0,0,0|1,1,0]=3 14 B5R0.1 CC(C)=CC=O 8071AJ [0,1,0,0,0,0|2,0,1]=4 15 B5R0.1 CCC=C(F)F 2794AE [0,1,0,0,0,0|3,0,0]=4 16 B5R0.1 CCNC(=O)Cl Y1298 [0,1,0,0,0,0|2,0,0]=3 17 B5R0.1 CCSC(=S)[S-] Y8841 [0,1,0,0,0,0|1,2,0]=4 18 B5R0.1 NCCC(N)=O 6432AB [0,1,0,0,0,0|2,0,0]=3 19 B5R0.3 C=CC(C)ON 4428AJ [0,1,0,0,0,0|2,0,1]=4 20 B5R0.3 C=C\C(C)=C\C 6089AL [0,1,0,0,0,0|2,0,0]=3 21 B5R0.3 CC[C@@H](C)CO 1205AL [0,1,0,0,0,0|1,0,2]=4 22 B5R0.3 CC[SiH](C)CC 8570AJ [0,1,0,0,0,0|2,1,0]=4 23 B5R0.3 CN[C@H](C)CO X7939 [0,1,0,0,0,0|1,0,2]=4 24 B5R0.3 COC(C)CN 8504AE [0,1,0,0,0,0|1,0,1]=3 25 B5R0.3 NNC(=O)CCl 9693AF [0,1,0,0,0,0|2,0,0]=3 26 B5R0.4 COC(F)(F)F 3051AE [0,1,0,0,0,0|2,0,1]=4 27 B5R0.5 CC(=O)C(C)N X5091 [0,1,0,0,0,0|1,0,0]=2 28 B5R0.5 CC(O)C(=O)O Y1768 [0,1,0,0,0,0|2,0,0]=3 29 B5R0.5 CN(C)C(=N)N 3681AL [0,1,0,0,0,0|3,0,0]=4 30 B5R0.5 C[C@H](O)[C@H](C)O H556 [0,1,0,0,0,0|1,0,2]=4 31 B5R0.5 O=C(O)C(=O)O 7152AB [0,1,0,0,0,0|3,0,0]=4 32 B5R1.2 O=C1CNC1 3824AJ [0,0,0,1,0,0|2,0,0]=3 33 B5R1.5 CC1(C)CN1 8787AD [0,0,0,1,0,0|2,0,1]=4 34 B2R0.1 CC#N 0273AP [2,0,0,0,0,0|1,0,1]=4 35 B2R0.1 O=N[O-] R744 [2,0,0,0,0,0|1,0,1]=4 36 B4R0.2 C=C=CCC 4475AL [1,1,0,0,0,0|1,0,1]=4 37 B4R0.2 C=C\C=C/C 7414AL [1,1,0,0,0,0|1,0,1]=4 38 B4R0.2 CCC=NO 0148AQ [1,1,0,0,0,0|1,0,1]=4 39 B4R0.2 CCSCC E138 [1,1,0,0,0,0|0,1,1]=4 40 B4R0.2 CNCCBr 8487AH [1,1,0,0,0,0|1,0,1]=4 41 B4R0.2 CNCCF 1721AJ [1,1,0,0,0,0|1,0,1]=4 42 B4R0.2 CNCCF 8506AH [1,1,0,0,0,0|1,0,1]=4 43 B4R0.2 CSCCN 6224AD [1,1,0,0,0,0|0,1,1]=4 44 B4R0.2 C\C=C/CO 5583AB [1,1,0,0,0,0|1,0,0]=3 45 B4R0.2 C\C=C\CBr 8491AJ [1,1,0,0,0,0|1,0,0]=3 46 B4R0.2 NCCON 6473AB [1,1,0,0,0,0|1,0,1]=4 47 B4R0.2 O=[Pr]O[Pr]=O Y1145 [1,1,0,0,0,0|2,0,0]=4 48 B4R0.2 O=[Rh]O[Rh]=O 3526AA [1,1,0,0,0,0|2,0,0]=4 49 B4R0.3 C[N+](C)(C)C 0656AP [1,1,0,0,0,0|2,0,0]=4 50 B4R0.3 O=P([O-])(O)O 8189AF [1,1,0,0,0,0|2,0,0]=4 51 B4R0.3 O=P([O-])([O-])O 8820AF [1,1,0,0,0,0|2,0,0]=4 52 B6R0.1 CCCC(=O)OC 8838AJ [0,2,0,0,0,0|0,0,0]=2 53 B6R0.1 CCOC(C)CO 2072AL [0,2,0,0,0,0|0,0,2]=4 54 B6R0.1 CCOC(Cl)CCl V0733 [0,2,0,0,0,0|1,0,1]=4 55 B6R0.1 COC(=N)CCCl 3040AC [0,2,0,0,0,0|1,0,0]=3 56 B6R0.1 COC(=N)CCCl W4440 [0,2,0,0,0,0|1,0,0]=3 57 B6R0.1 COC(=O)NC=O 3236AB [0,2,0,0,0,0|0,0,1]=3 58 B6R0.1 COCC(N)=NO 6397AC [0,2,0,0,0,0|1,0,1]=4 59 B6R0.1 COC[C@H](C)CO 5230AC [0,2,0,0,0,0|0,0,2]=4 60 B6R0.2 CC(=O)CN(C)C 4784AD [0,2,0,0,0,0|1,0,0]=3 61 B6R0.2 CC(C)=CC(C)C 5316AL [0,2,0,0,0,0|2,0,0]=4 62 B6R0.2 O=C(O)CC(F)F Z1905 [0,2,0,0,0,0|2,0,0]=4 63 B6R0.3 CC(=O)[C@@H](N)CO 5840AA [0,2,0,0,0,0|1,0,0]=3 64 B6R0.3 C[C@H](CN)C(=O)O 0884AB [0,2,0,0,0,0|2,0,0]=4 65 B6R0.3 C[C@H](CO)C(=O)O 9932AA [0,2,0,0,0,0|2,0,0]=4 66 B6R0.3 C\C=C(/C)C(=O)Cl 3889AL [0,2,0,0,0,0|1,0,0]=3 67 B6R0.3 C\C=C(/C)C(C)C 9218AL [0,2,0,0,0,0|2,0,0]=4 68 B6R0.3 C\C=C(\C)B(O)O 4682AJ [0,2,0,0,0,0|1,0,1]=4 69 B6R0.3 C\C=C(\C)C(C)C 7430AL [0,2,0,0,0,0|2,0,0]=4 70 B6R0.3 NC(CF)C(=O)O 8475AA [0,2,0,0,0,0|2,0,0]=4 71 B6R0.3 NCC(F)C(=O)O X2955 [0,2,0,0,0,0|2,0,0]=4 72 B6R0.3 N[C@@H](CO)C(=O)O Z6084 [0,2,0,0,0,0|2,0,0]=4 73 B6R0.3 O=C(O)C(Br)CF 0454AQ [0,2,0,0,0,0|2,0,0]=4 74 B6R0.4 C=CCOC(N)=O 0515AQ [0,2,0,0,0,0|1,0,0]=3 75 B6R0.4 CC(C)=CCCO 1893AC [0,2,0,0,0,0|2,0,0]=4 76 B6R0.4 CCOCC(C)N 0535AD [0,2,0,0,0,0|1,0,1]=4 77 B6R0.4 C\C=C\CC(=O)O 6149AL [0,2,0,0,0,0|2,0,0]=4 78 B6R0.4 N#CCNC(N)=O X4454 [0,2,0,0,0,0|2,0,0]=4 79 B6R0.5 CCOC(C)(C)C 7559AF [0,2,0,0,0,0|1,0,1]=4 80 B6R0.9 C\N=C(/NC)SC 1480AL [0,2,0,0,0,0|1,1,0]=4 81 B6R1.2 CC1=CCCO1 0728AQ [0,1,0,1,0,0|1,0,0]=3 82 B6R1.2 CC1=COC=C1 X5961 [0,1,0,1,0,0|1,0,1]=4 83 B6R1.2 ClC1CCOC1 X2032 [0,1,0,1,0,0|1,0,1]=4 84 B6R1.5 C=C1CC(N)C1 7094AC [0,1,0,1,0,0|2,0,0]=4 85 B6R1.11 O=C(O)C1CO1 4445AJ [0,1,0,1,0,0|1,0,0]=3 86 B6R1.11 O=C(O)[C@@H]1CN1 9211AA [0,1,0,1,0,0|2,0,0]=4 87 B6R1.11 O=C(O)[C@H]1CN1 1874AC [0,1,0,1,0,0|2,0,0]=4 88 B6R1.11 [C@@H]1(C(=O)[O-])CO1 0147AF [0,1,0,1,0,0|1,0,0]=3 89 B6R1.4 NC1CCC1=O V9854 [0,1,0,1,0,0|1,0,0]=3 90 B6R1.7 CC1(C=O)CC1 1659AL [0,1,0,1,0,0|1,0,1]=4