0 B4R0.2 C=C=CCN 4085485 [0,0,0,0,0,0|3,0,1]=4 1 B4R0.2 CCCNN 4085300 [0,0,0,0,0,0|3,0,0]=3 2 B5R0.1 C#CCC(=O)O 4035749 [0,1,0,0,0,0|1,0,2]=4 3 B5R0.1 CC(C)N=[N+]=[N-] 4041293 [0,1,0,0,0,0|3,0,0]=4 4 B5R0.1 CC(N)CCO 4027026 [0,1,0,0,0,0|1,0,2]=4 5 B5R0.1 CC(O)CNN 4028962 [0,1,0,0,0,0|3,0,0]=4 6 B5R0.1 CNCC(C)O 4035012 [0,1,0,0,0,0|3,0,0]=4 7 B5R0.1 COCC(=N)N 4018503 [0,1,0,0,0,0|3,0,0]=4 8 B5R0.1 NC(=O)CCO 4070037 [0,1,0,0,0,0|2,0,0]=3 9 B5R0.1 NCCC(N)=O 4034723 [0,1,0,0,0,0|2,0,0]=3 10 B5R0.2 C#CCCCBr 4079721 [0,1,0,0,0,0|2,0,1]=4 11 B5R0.2 C#CCCCN 4063954 [0,1,0,0,0,0|2,0,1]=4 12 B5R0.2 C=CCCCN 4075680 [0,1,0,0,0,0|2,0,0]=3 13 B5R0.2 C=CCCNC 4110731 [0,1,0,0,0,0|2,0,0]=3 14 B5R0.2 CNCCSC 4036386 [0,1,0,0,0,0|3,0,0]=4 15 B5R0.2 COCCNN 4108243 [0,1,0,0,0,0|3,0,0]=4 16 B5R0.2 NNCCCO 4085333 [0,1,0,0,0,0|3,0,0]=4 17 B5R0.3 CC[C@@H](O)CN 4036900 [0,1,0,0,0,0|2,0,1]=4 18 B5R0.3 CC\C(N)=N\O 4030035 [0,1,0,0,0,0|2,0,1]=4 19 B5R0.3 CC\C(N)=N\O 4089717 [0,1,0,0,0,0|2,0,1]=4 20 B5R1.1 C1CNOC1 4013261 [0,0,0,1,0,0|2,0,0]=3 21 B5R1.2 CC1CCN1 4040985 [0,0,0,1,0,0|2,0,1]=4 22 B5R1.2 OC1CCC1 4034696 [0,0,0,1,0,0|1,0,2]=4 23 B4R0.1 CC(=O)CN 4035253 [1,1,0,0,0,0|1,0,0]=3 24 B4R0.1 CC(C)NN 4032832 [1,1,0,0,0,0|2,0,0]=4 25 B4R0.1 CCC(=N)N 4012617 [1,1,0,0,0,0|1,0,0]=3 26 B4R0.1 CCC(=N)N 4090083 [1,1,0,0,0,0|1,0,0]=3 27 B4R0.1 N=C(N)CF 4028912 [1,1,0,0,0,0|2,0,0]=4 28 B6R0.1 C=CCC(O)CN 4080175 [0,2,0,0,0,0|2,0,0]=4 29 B6R0.1 CCCC(=O)NN 3002586 [0,2,0,0,0,0|1,0,0]=3 30 B6R0.1 CCC\C(N)=N\O 4030621 [0,2,0,0,0,0|1,0,1]=4 31 B6R0.1 CCC\C(N)=N\O 4089955 [0,2,0,0,0,0|1,0,1]=4 32 B6R0.1 CCNC(=O)CBr 4023688 [0,2,0,0,0,0|1,0,0]=3 33 B6R0.1 CCOC(C)CN 4029821 [0,2,0,0,0,0|1,0,1]=4 34 B6R0.1 CNC(=O)CCCl 4027989 [0,2,0,0,0,0|2,0,0]=4 35 B6R0.1 CNC(=O)CCO 4035059 [0,2,0,0,0,0|2,0,0]=4 36 B6R0.1 CNCC(=O)NC 4033340 [0,2,0,0,0,0|2,0,0]=4 37 B6R0.1 COC(=O)CCO 4041011 [0,2,0,0,0,0|2,0,0]=4 38 B6R0.2 CC(C)CC(=N)N 4012906 [0,2,0,0,0,0|2,0,0]=4 39 B6R0.3 CNC(C)C(N)=O 4031071 [0,2,0,0,0,0|2,0,0]=4 40 B6R0.3 COC(C)C(=O)O 4020866 [0,2,0,0,0,0|2,0,0]=4 41 B6R0.3 CSC(C)C(=O)O 4034068 [0,2,0,0,0,0|2,0,0]=4 42 B6R0.4 C=CCNC(C)C 4026873 [0,2,0,0,0,0|2,0,0]=4 43 B6R0.4 C=CCNC(C)C 4090944 [0,2,0,0,0,0|2,0,0]=4 44 B6R0.4 CCCCC(=N)N 4012905 [0,2,0,0,0,0|2,0,0]=4 45 B6R0.4 CCOCC(=N)N 4018504 [0,2,0,0,0,0|1,0,0]=3 46 B6R0.4 CCOCC(=N)N 4088124 [0,2,0,0,0,0|1,0,0]=3 47 B6R0.4 CNCCC(=O)O 4036102 [0,2,0,0,0,0|1,0,0]=3 48 B6R0.4 CNCCC(N)=O 4029061 [0,2,0,0,0,0|1,0,0]=3 49 B6R0.4 COCCC(C)=O 4022132 [0,2,0,0,0,0|1,0,0]=3 50 B6R0.4 CSCCC(=N)N 4042665 [0,2,0,0,0,0|2,0,0]=4 51 B6R0.4 NC(=O)CCCCl 4028442 [0,2,0,0,0,0|1,0,0]=3 52 B6R0.6 C=CCCCCN 4067494 [0,2,0,0,0,0|2,0,0]=4 53 B6R0.6 C=CCNCCC 4031693 [0,2,0,0,0,0|2,0,0]=4 54 B6R0.6 CCOCCNC 4030249 [0,2,0,0,0,0|1,0,1]=4 55 B6R0.6 COCCN=C=O 4027817 [0,2,0,0,0,0|1,0,1]=4 56 B6R1.2 CC1CNOC1 4040895 [0,1,0,1,0,0|2,0,0]=4 57 B6R1.2 NC1CCOC1 4003522 [0,1,0,1,0,0|1,0,1]=4 58 B6R1.2 OC1CNOC1 4044152 [0,1,0,1,0,0|2,0,0]=4 59 B6R1.11 N=C(N)C1CC1 4041549 [0,1,0,1,0,0|2,0,0]=4 60 B6R1.11 N=C(N)C1CC1 4088692 [0,1,0,1,0,0|2,0,0]=4 61 B6R1.1 C1=CCONC1 4044151 [0,1,0,1,0,0|2,0,0]=4 62 B6R1.1 C1CCONC1 4013260 [0,1,0,1,0,0|1,0,1]=4