0 B4R0.1 CC(=O)CN 4035253 [0,0,0,0,0,0|1,0,1]=2 1 B4R0.1 CC(C)NN 4032832 [0,0,0,0,0,0|3,0,1]=4 2 B4R0.1 CCC(=N)N 4012617 [0,0,0,0,0,0|3,0,1]=4 3 B4R0.1 CCC(=N)N 4090083 [0,0,0,0,0,0|3,0,1]=4 4 B4R0.1 N=C(N)CF 4028912 [0,0,0,0,0,0|3,0,1]=4 5 B5R0.1 C#CCC(=O)O 4035749 [0,1,0,0,0,0|2,0,1]=4 6 B5R0.1 C=C(C)CNN 4045392 [0,1,0,0,0,0|2,0,1]=4 7 B5R0.1 NC(=O)CCO 4070037 [0,1,0,0,0,0|1,0,2]=4 8 B5R0.1 NCCC(N)=O 4034723 [0,1,0,0,0,0|2,0,1]=4 9 B5R0.3 CC\C(N)=N\O 4030035 [0,1,0,0,0,0|2,0,1]=4 10 B5R0.3 CC\C(N)=N\O 4089717 [0,1,0,0,0,0|2,0,1]=4 11 B5R0.3 CNC(=O)CBr 4023689 [0,1,0,0,0,0|1,0,1]=3 12 B5R0.3 CNC(=O)CCl 4031514 [0,1,0,0,0,0|1,0,1]=3 13 B5R0.3 CNC(=O)CN 4030580 [0,1,0,0,0,0|1,0,1]=3 14 B5R0.3 CNC(=O)CO 4032781 [0,1,0,0,0,0|0,0,2]=3 15 B5R0.3 N\C(CO)=N/O 4045643 [0,1,0,0,0,0|2,0,1]=4 16 B5R0.5 CC(C)C(=N)N 4034735 [0,1,0,0,0,0|2,0,1]=4 17 B5R0.5 CC(C)C(=N)N 4088764 [0,1,0,0,0,0|2,0,1]=4 18 B5R0.5 CC(O)C(=N)N 4048497 [0,1,0,0,0,0|1,0,2]=4 19 B4R0.2 C=C=CCN 4085485 [1,1,0,0,0,0|1,0,1]=4 20 B4R0.3 NS(=O)(=O)Cl 4036618 [1,1,0,0,0,0|2,0,0]=4 21 B6R0.1 CCCC(=O)NN 3002586 [0,2,0,0,0,0|2,0,0]=4 22 B6R0.1 CCNC(=O)CBr 4023688 [0,2,0,0,0,0|1,0,1]=4 23 B6R0.1 CNC(=O)CCCl 4027989 [0,2,0,0,0,0|1,0,1]=4 24 B6R0.1 CNC(=O)CCO 4035059 [0,2,0,0,0,0|0,0,2]=4 25 B6R0.1 CNCC(=O)NC 4033340 [0,2,0,0,0,0|1,0,1]=4 26 B6R0.1 COC(=O)CCO 4041011 [0,2,0,0,0,0|0,0,2]=4 27 B6R0.2 NC(=O)CC(=O)O 4027194 [0,2,0,0,0,0|1,0,0]=3 28 B6R0.2 NC(N)=C[N+](=O)[O-] 4036725 [0,2,0,0,0,0|2,0,0]=4 29 B6R0.3 CC(C)C(=O)NN 3015435 [0,2,0,0,0,0|1,0,1]=4 30 B6R0.3 CN(C)C(=O)CN 4029380 [0,2,0,0,0,0|1,0,1]=4 31 B6R0.3 CN(C)C(=O)CO 4033769 [0,2,0,0,0,0|0,0,2]=4 32 B6R0.3 CNC(=O)C(C)Cl 4026929 [0,2,0,0,0,0|1,0,1]=4 33 B6R0.3 CNC(=O)C(C)N 4033710 [0,2,0,0,0,0|1,0,1]=4 34 B6R0.3 CNC(C)C(N)=O 4031071 [0,2,0,0,0,0|1,0,1]=4 35 B6R0.3 COC(C)C(=O)O 4020866 [0,2,0,0,0,0|0,0,2]=4 36 B6R0.3 CSC(C)C(=O)O 4034068 [0,2,0,0,0,0|0,1,1]=4 37 B6R0.3 NC(=O)\C(N)=N\O 4045328 [0,2,0,0,0,0|1,0,1]=4 38 B6R0.4 COCCC(C)=O 4022132 [0,2,0,0,0,0|0,0,2]=4 39 B6R0.7 CC(C)(N)C(N)=O 4029572 [0,2,0,0,0,0|1,0,1]=4 40 B6R1.2 CC1=NNC=N1 4035655 [0,1,0,1,0,0|2,0,0]=4 41 B6R1.2 O=C1NC=CN1 4029600 [0,1,0,1,0,0|2,0,0]=4