0 B5R0.1 C#CCC(=O)O 4035749 [0,0,0,0,0,0|2,0,2]=4 1 B5R0.1 C=C(C)CNN 4045392 [0,0,0,0,0,0|4,0,0]=4 2 B5R0.1 NC(=O)CCO 4070037 [0,0,0,0,0,0|3,0,1]=4 3 B5R0.1 NCCC(N)=O 4034723 [0,0,0,0,0,0|3,0,1]=4 4 B4R0.1 CC(=O)CN 4035253 [1,0,0,0,0,0|1,0,1]=3 5 B6R0.1 C=CCC(O)CN 4080175 [0,1,0,0,0,0|1,0,2]=4 6 B6R0.1 CCNC(=O)CBr 4023688 [0,1,0,0,0,0|1,0,2]=4 7 B6R0.1 CNC(=O)CCCl 4027989 [0,1,0,0,0,0|2,0,1]=4 8 B6R0.1 CNC(=O)CCO 4035059 [0,1,0,0,0,0|2,0,1]=4 9 B6R0.1 CNCC(=O)NC 4033340 [0,1,0,0,0,0|2,0,1]=4 10 B6R0.1 COC(=O)CCO 4041011 [0,1,0,0,0,0|2,0,1]=4 11 B6R0.2 NC(=O)CC(=O)O 4027194 [0,1,0,0,0,0|3,0,0]=4 12 B6R0.4 C=CCNC(C)C 4026873 [0,1,0,0,0,0|2,0,1]=4 13 B6R0.4 C=CCNC(C)C 4090944 [0,1,0,0,0,0|2,0,1]=4 14 B6R0.4 COCCC(C)=O 4022132 [0,1,0,0,0,0|1,0,2]=4 15 B6R0.5 C=CCS(=O)(=O)Cl 4006318 [0,1,0,0,0,0|3,0,0]=4 16 B6R1.2 BrC1=NC=CO1 4039122 [0,0,0,1,0,0|2,0,0]=3 17 B6R1.2 CC1=NNC=N1 4035655 [0,0,0,1,0,0|3,0,0]=4 18 B6R1.2 NC1=NN=CO1 4044829 [0,0,0,1,0,0|3,0,0]=4 19 B6R1.2 O=C1NC=CN1 4029600 [0,0,0,1,0,0|2,0,0]=3 20 B6R1.2 OC1=NN=CO1 4044051 [0,0,0,1,0,0|2,0,1]=4 21 B5R0.3 CNC(=O)CBr 4023689 [1,1,0,0,0,0|1,0,1]=4 22 B5R0.3 CNC(=O)CCl 4031514 [1,1,0,0,0,0|1,0,1]=4 23 B5R0.3 CNC(=O)CN 4030580 [1,1,0,0,0,0|1,0,1]=4 24 B5R0.3 CNC(=O)CO 4032781 [1,1,0,0,0,0|1,0,1]=4 25 B5R0.2 C=CCCCN 4075680 [1,1,0,0,0,0|1,0,1]=4 26 B5R0.2 C=CCCNC 4110731 [1,1,0,0,0,0|1,0,1]=4 27 B7R0.2 CNC(=O)CC(=N)N 4043145 [0,2,0,0,0,0|2,0,0]=4 28 B7R0.2 CNC(=O)CC(=O)O 4027258 [0,2,0,0,0,0|2,0,0]=4 29 B7R0.2 COC(=O)CC(=N)N 4042869 [0,2,0,0,0,0|2,0,0]=4 30 B7R0.7 CCOC(=O)CCO 4040900 [0,2,0,0,0,0|0,0,2]=4 31 B7R0.4 C=CCSCC(=O)O 4026839 [0,2,0,0,0,0|1,1,0]=4 32 B7R1.1 BrCC1=NC=CS1 4044498 [0,1,0,1,0,0|1,1,0]=4 33 B7R1.1 ClCC1=NC=CS1 4016914 [0,1,0,1,0,0|1,1,0]=4 34 B7R1.1 NCC1=CC=NO1 2102257 [0,1,0,1,0,0|2,0,0]=4 35 B7R1.1 NCC1=NC=CN1 4087964 [0,1,0,1,0,0|2,0,0]=4 36 B7R1.1 NCC1=NC=CN1 4101394 [0,1,0,1,0,0|2,0,0]=4 37 B7R1.1 NCC1=NC=CS1 2102321 [0,1,0,1,0,0|1,1,0]=4 38 B7R1.2 CC1=NC(Br)=NO1 4039731 [0,1,0,1,0,0|2,0,0]=4 39 B7R1.2 CC1=NC(Cl)=NO1 4039985 [0,1,0,1,0,0|2,0,0]=4 40 B7R1.2 CC1=NC(N)=NO1 4014408 [0,1,0,1,0,0|2,0,0]=4 41 B7R1.2 CC1=NN=C(N)O1 4013100 [0,1,0,1,0,0|2,0,0]=4 42 B7R1.2 CC1=NN=C(O)O1 4040622 [0,1,0,1,0,0|2,0,0]=4 43 B7R1.2 CC1=NN=C(S)O1 4110496 [0,1,0,1,0,0|2,0,0]=4 44 B7R1.2 CC1=NOC(N)=N1 4035358 [0,1,0,1,0,0|2,0,0]=4 45 B7R1.2 CC1=NOC(O)=N1 4043027 [0,1,0,1,0,0|2,0,0]=4 46 B7R1.2 CC1CNC(=O)O1 4043936 [0,1,0,1,0,0|0,0,2]=4 47 B7R1.3 O=C1NCCCO1 4035958 [0,1,0,1,0,0|0,0,2]=4 48 B7R1.4 CN1C=CN=C1N 4034680 [0,1,0,1,0,0|2,0,0]=4 49 B7R1.4 CN1C=CN=C1N 4085296 [0,1,0,1,0,0|2,0,0]=4 50 B7R1.4 CN1C=CNC1=O 4044124 [0,1,0,1,0,0|1,0,0]=3