0 B4R0.1 C#CC(C)Cl 6017AL [0,0,0,0,0,0|2,0,1]=3 1 B4R0.1 CC(N)C#N V7482 [0,0,0,0,0,0|1,0,1]=2 2 B4R0.1 CC(S)CS 4476AL [0,0,0,0,0,0|1,1,2]=4 3 B4R0.1 CCC(=O)S Y1833 [0,0,0,0,0,0|2,0,1]=3 4 B4R0.1 O=CC(=O)[O-] 6895AF [0,0,0,0,0,0|2,0,1]=3 5 B3R0.1 C=CCF 0124AF [1,0,0,0,0,0|1,0,2]=4 6 B3R0.1 CC#CI 4962AL [1,0,0,0,0,0|1,0,1]=3 7 B3R0.1 F\C=C\Cl 3974AE [1,0,0,0,0,0|2,0,1]=4 8 B3R0.2 CC(=O)O O309 [1,0,0,0,0,0|1,0,0]=2 9 B3R0.2 CC(=O)[O-] E849 [1,0,0,0,0,0|1,0,0]=2 10 B3R0.2 O=C([O-])[O-] 8474AF [1,0,0,0,0,0|2,0,0]=3 11 B3R0.2 O=I(=O)[O-] 8775AF [1,0,0,0,0,0|3,0,0]=4 12 B3R0.2 O=[N+]([O-])[O-] 5376AF [1,0,0,0,0,0|3,0,0]=4 13 B3R0.2 O=[Si](O)O 8695AF [1,0,0,0,0,0|2,1,0]=4 14 B5R0.1 C#CCN(C)C 4830AL [0,1,0,0,0,0|3,0,0]=4 15 B5R0.1 CC(C)=CC=O 8071AJ [0,1,0,0,0,0|2,0,1]=4 16 B5R0.1 CCNC(=O)Cl Y1298 [0,1,0,0,0,0|2,0,1]=4 17 B5R0.1 C[C@H](N)CC#N 0475AC [0,1,0,0,0,0|1,0,1]=3 18 B5R0.1 C[C@H](O)CC#N 4512AA [0,1,0,0,0,0|0,0,2]=3 19 B5R0.1 NCCC(N)=O 6432AB [0,1,0,0,0,0|1,0,2]=4 20 B5R0.3 C=C\C(C)=C\C 6089AL [0,1,0,0,0,0|2,0,1]=4 21 B5R0.3 N#CC(Br)C=O 6842AC [0,1,0,0,0,0|1,0,1]=3 22 B5R0.3 N#CC(Cl)C=O 7527AB [0,1,0,0,0,0|1,0,1]=3 23 B5R0.3 NNC(=O)CCl 9693AF [0,1,0,0,0,0|1,0,1]=3 24 B5R0.4 C#CC(C)(C)Br Y9639 [0,1,0,0,0,0|2,0,1]=4 25 B5R0.4 N#CC(F)(F)Br 9342AE [0,1,0,0,0,0|2,0,1]=4 26 B5R0.5 CC(=O)C(C)N X5091 [0,1,0,0,0,0|0,0,2]=3 27 B5R0.5 CC(O)C(=O)O Y1768 [0,1,0,0,0,0|2,0,1]=4 28 B5R0.5 O=C(O)C(=O)O 7152AB [0,1,0,0,0,0|2,0,1]=4 29 B5R1.2 O=C1CNC1 3824AJ [0,0,0,1,0,0|0,0,2]=3 30 B2R0.1 CC#N 0273AP [2,0,0,0,0,0|0,0,0]=2 31 B2R0.1 O=N[O-] R744 [2,0,0,0,0,0|2,0,0]=4 32 B4R0.2 C=C=CCC 4475AL [1,1,0,0,0,0|1,0,1]=4 33 B4R0.2 C=C\C=C/C 7414AL [1,1,0,0,0,0|1,0,1]=4 34 B4R0.2 CCC=NO 0148AQ [1,1,0,0,0,0|2,0,0]=4 35 B4R0.2 C\C=C/CO 5583AB [1,1,0,0,0,0|1,0,1]=4 36 B4R0.2 C\C=C\CBr 8491AJ [1,1,0,0,0,0|1,0,1]=4 37 B6R0.1 CCCC(=O)OC 8838AJ [0,2,0,0,0,0|1,0,1]=4 38 B6R0.1 COC(=O)NC=O 3236AB [0,2,0,0,0,0|1,0,1]=4 39 B6R0.2 CC(=O)CN(C)C 4784AD [0,2,0,0,0,0|0,0,2]=4 40 B6R0.3 CC(=O)[C@@H](N)CO 5840AA [0,2,0,0,0,0|0,0,2]=4 41 B6R0.3 CC(C#N)N(C)C 5120AE [0,2,0,0,0,0|1,0,1]=4 42 B6R0.3 C\C=C(/C)C(=O)Cl 3889AL [0,2,0,0,0,0|1,0,1]=4 43 B6R0.4 N#CCNC(N)=O X4454 [0,2,0,0,0,0|1,0,0]=3 44 B6R1.4 NC1CCC1=O V9854 [0,1,0,1,0,0|0,0,2]=4