0 B4R0.1 C=NN(C)C CS-M3085 [0,0,0,0,0,0|4,0,0]=4 1 B4R0.1 COC(=N)N CS-0114088 [0,0,0,0,0,0|4,0,0]=4 2 B4R0.1 C[C@@H](N)CF CS-0104382 [0,0,0,0,0,0|2,0,2]=4 3 B4R0.1 C[C@H](N)CF CS-0090252 [0,0,0,0,0,0|2,0,2]=4 4 B4R0.1 NC(=O)CI CS-0020050 [0,0,0,0,0,0|2,0,1]=3 5 B3R0.2 CB(O)O CS-W018525 [1,0,0,0,0,0|1,0,2]=4 6 B3R0.2 CC(O)=S CS-0015317 [1,0,0,0,0,0|0,1,1]=3 7 B3R0.2 O=C([O-])[O-] CS-0015156 [1,0,0,0,0,0|1,0,1]=3 8 B5R0.1 C#CCC(=O)O CS-W004784 [0,1,0,0,0,0|2,0,1]=4 9 B5R0.1 C=CC[C@H](C)O CS-0081915 [0,1,0,0,0,0|1,0,2]=4 10 B5R0.3 C=C(C#N)CO CS-0079973 [0,1,0,0,0,0|2,0,1]=4 11 B5R0.5 CC(=O)C(C)N CS-0105630 [0,1,0,0,0,0|1,0,1]=3 12 B5R0.5 CC(=O)C(N)=S CS-0047258 [0,1,0,0,0,0|0,1,0]=2 13 B5R0.5 CC(C)C(N)=S CS-W011304 [0,1,0,0,0,0|1,1,1]=4 14 B5R0.5 CC(C)S(=O)[O-] CS-M3052 [0,1,0,0,0,0|2,0,1]=4 15 B5R0.5 CC(O)C(=O)[O-] CS-0021602 [0,1,0,0,0,0|0,0,2]=3 16 B5R0.5 C[C@H](N)C(N)=O CS-0005782 [0,1,0,0,0,0|1,0,1]=3 17 B5R1.2 O=C1CCN1 CS-W011364 [0,0,0,1,0,0|2,0,0]=3 18 B5R1.3 O=CC1CC1 CS-W013759 [0,0,0,1,0,0|1,0,1]=3 19 B2R0.1 CNN CS-W022891 [2,0,0,0,0,0|2,0,0]=4 20 B2R0.1 O=[Pt]=O CS-W007817 [2,0,0,0,0,0|1,0,0]=3 21 B2R0.1 O=[Ru]=O CS-0015275 [2,0,0,0,0,0|1,0,0]=3 22 B2R0.1 O=[Ru]=O CS-0080854 [2,0,0,0,0,0|1,0,0]=3 23 B4R0.2 C=CCCN CS-0028781 [1,1,0,0,0,0|1,0,1]=4 24 B4R0.3 C[S+](C)(C)=O CS-0097768 [1,1,0,0,0,0|1,0,1]=4 25 B4R0.3 C[S+](C)(C)=O CS-W008974 [1,1,0,0,0,0|1,0,1]=4 26 B6R0.1 CNCC(=O)NC CS-0039124 [0,2,0,0,0,0|1,0,1]=4 27 B6R0.1 COC(=O)CCO CS-0022864 [0,2,0,0,0,0|0,0,2]=4 28 B6R0.2 CC(=O)\C=C(\C)[O-] CS-0015107 [0,2,0,0,0,0|0,0,1]=3 29 B6R0.2 CC(C)=CB(O)O CS-0046252 [0,2,0,0,0,0|1,0,1]=4 30 B6R0.2 C[C@H](N)CC(=O)O CS-0031371 [0,2,0,0,0,0|1,0,1]=4 31 B6R0.3 COC(=O)C(=N)N CS-0038769 [0,2,0,0,0,0|1,0,0]=3 32 B6R0.3 CO[C@@H](C)C(=O)O CS-D0537 [0,2,0,0,0,0|0,0,2]=4 33 B6R0.7 CC(C)(C)C(=O)[O-] CS-W022935 [0,2,0,0,0,0|1,0,1]=4 34 B6R1.2 CC1=CN=CS1 CS-W007489 [0,1,0,1,0,0|1,1,0]=4 35 B6R1.2 O=C1C=CSN1 CS-0005502 [0,1,0,1,0,0|1,1,0]=4 36 B6R1.2 O=C1CCNC1 CS-W005267 [0,1,0,1,0,0|1,0,1]=4 37 B6R1.2 O=C1CCNN1 CS-W001151 [0,1,0,1,0,0|2,0,0]=4 38 B6R1.4 CC1OCC1=O CS-0051833 [0,1,0,1,0,0|0,0,2]=4