0 B3R0.2 CC(=O)[O-] AC2626 [0,0,0,0,0,0|3,0,1]=4 1 B3R0.2 CC(=O)[O-] D70195 [0,0,0,0,0,0|3,0,1]=4 2 B3R0.2 CC(=O)[O-] I11566 [0,0,0,0,0,0|3,0,1]=4 3 B3R0.2 CC(Br)Br D78418 [0,0,0,0,0,0|1,2,0]=3 4 B3R0.2 C[13C](=O)O 41422 [0,0,0,0,0,0|3,0,1]=4 5 B3R0.2 C[S+](C)C AC2631 [0,0,0,0,0,0|4,0,0]=4 6 B3R0.2 O=C([O-])[O-] AC2639 [0,0,0,0,0,0|3,0,1]=4 7 B3R0.2 O=C([O-])[O-] AC7869 [0,0,0,0,0,0|3,0,1]=4 8 B3R0.2 O=C([O-])[O-] F20746 [0,0,0,0,0,0|3,0,1]=4 9 B3R0.2 [13CH3]C(=O)O 41421 [0,0,0,0,0,0|3,0,1]=4 10 B3R0.2 [15NH2]C([15NH2])=O 41394 [0,0,0,0,0,0|3,0,1]=4 11 B3R0.2 [15NH2][13C]([15NH2])=O 41395 [0,0,0,0,0,0|3,0,1]=4 12 B2R0.1 CNC T70981 [1,0,0,0,0,0|3,0,0]=4 13 B2R0.1 CNN C10129 [1,0,0,0,0,0|3,0,0]=4 14 B2R0.1 CSC D78287 [1,0,0,0,0,0|3,0,0]=4 15 B2R0.1 FCI AT16478 [1,0,0,0,0,0|0,2,0]=3 16 B2R0.1 N#C[S-] F21288 [1,0,0,0,0,0|2,0,1]=4 17 B4R0.1 C#C[C@H](C)N AB1311 [0,1,0,0,0,0|3,0,0]=4 18 B4R0.1 C#C[C@H](C)N F31055 [0,1,0,0,0,0|3,0,0]=4 19 B4R0.1 C=C[C@H](C)N 81150 [0,1,0,0,0,0|3,0,0]=4 20 B4R0.1 C=C[C@H](C)N C77628 [0,1,0,0,0,0|3,0,0]=4 21 B4R0.1 C=C[C@H](C)N N11410 [0,1,0,0,0,0|3,0,0]=4 22 B4R0.1 CC(C)CBr P19652 [0,1,0,0,0,0|2,1,0]=4 23 B4R0.1 CC[C@H](C)N 74047 [0,1,0,0,0,0|3,0,0]=4 24 B4R0.1 C[C@H](Br)CN F11189 [0,1,0,0,0,0|2,1,0]=4 25 B4R0.1 C[C@H](Br)CO W17591 [0,1,0,0,0,0|2,1,0]=4 26 B4R0.1 C[C@H](Cl)CN Y14715 [0,1,0,0,0,0|2,0,0]=3 27 B4R0.1 C[C@H](N)C#N I11084 [0,1,0,0,0,0|3,0,0]=4 28 B4R0.1 C[C@H](N)CF AC1136 [0,1,0,0,0,0|2,1,0]=4 29 B4R0.1 C[C@H](N)CF AC6177 [0,1,0,0,0,0|2,1,0]=4 30 B4R0.1 NCC(F)F C16390 [0,1,0,0,0,0|1,2,0]=4 31 B4R0.3 CC(C)(Br)Br T71108 [0,1,0,0,0,0|1,2,0]=4 32 B4R0.3 Cl[Pd-2](Cl)(Cl)Cl AC2661 [0,1,0,0,0,0|1,0,0]=2 33 B4R0.3 Cl[Pt-2](Cl)(Cl)Cl 23131 [0,1,0,0,0,0|1,0,0]=2 34 B4R0.3 [2H]C([2H])([2H])N W11835 [0,1,0,0,0,0|3,0,0]=4 35 B4R1.2 C[C@H]1CN1 68557 [0,0,0,1,0,0|3,0,0]=4 36 B4R1.2 IC1CC1 AC5127 [0,0,0,1,0,0|2,1,0]=4 37 B1R0.1 C=C D89533 [2,0,0,0,0,0|1,0,1]=4 38 B1R0.1 C=C F16606 [2,0,0,0,0,0|1,0,1]=4 39 B1R0.1 [C-]#[O+] T71827 [2,0,0,0,0,0|1,0,1]=4 40 B1R0.1 [CH]=C D78465 [2,0,0,0,0,0|1,0,1]=4 41 B3R0.1 CCNN D79778 [1,1,0,0,0,0|2,0,0]=4 42 B3R0.1 CCON C13232 [1,1,0,0,0,0|2,0,0]=4 43 B3R0.1 ClCCI T71139 [1,1,0,0,0,0|0,1,0]=3 44 B3R0.1 NCCN A12036 [1,1,0,0,0,0|2,0,0]=4 45 B3R0.1 NCCN T72722 [1,1,0,0,0,0|2,0,0]=4 46 B5R0.3 C[C@@H](CN)CCl 72948 [0,2,0,0,0,0|2,0,0]=4 47 B5R0.3 NC[C@H](O)CCl C10413 [0,2,0,0,0,0|2,0,0]=4 48 B5R0.4 CC(C)(Cl)CCl H11156 [0,2,0,0,0,0|1,0,0]=3 49 B5R1.2 ClC1CCC1 T70092 [0,1,0,1,0,0|2,0,0]=4 50 B5R1.2 ClC1CNC1 37968 [0,1,0,1,0,0|2,0,0]=4 51 B5R1.2 ClC1COC1 CS1986 [0,1,0,1,0,0|2,0,0]=4