0 B5R0.1 C=C(C)CNN 4045392 [0,0,0,0,0,0|2,0,2]=4 1 B5R0.1 CC(C)N=[N+]=[N-] 4041293 [0,0,0,0,0,0|3,0,1]=4 2 B5R0.1 CC(N)CCO 4027026 [0,0,0,0,0,0|1,1,2]=4 3 B5R0.1 NC(=O)CCO 4070037 [0,0,0,0,0,0|2,1,1]=4 4 B5R0.1 NCCC(N)=O 4034723 [0,0,0,0,0,0|3,0,1]=4 5 B4R0.1 CC(=O)CN 4035253 [1,0,0,0,0,0|2,0,0]=3 6 B4R0.1 CC(C)NN 4032832 [1,0,0,0,0,0|2,0,1]=4 7 B4R0.1 CCC(=N)N 4012617 [1,0,0,0,0,0|2,0,1]=4 8 B4R0.1 CCC(=N)N 4090083 [1,0,0,0,0,0|2,0,1]=4 9 B4R0.1 N=C(N)CF 4028912 [1,0,0,0,0,0|3,0,0]=4 10 B4R0.2 C=C=CCN 4085485 [1,0,0,0,0,0|1,0,2]=4 11 B6R0.1 CCC(C)CCN 4015078 [0,1,0,0,0,0|1,0,2]=4 12 B6R0.1 CCNC(=O)CBr 4023688 [0,1,0,0,0,0|3,0,0]=4 13 B6R0.1 CCNC(C)CC 4024881 [0,1,0,0,0,0|2,0,1]=4 14 B6R0.1 CCNC(C)CC 4089770 [0,1,0,0,0,0|2,0,1]=4 15 B6R0.1 CCNC(C)CO 4027506 [0,1,0,0,0,0|2,0,1]=4 16 B6R0.1 CCOC(C)CN 4029821 [0,1,0,0,0,0|2,0,1]=4 17 B6R0.1 CNC(=O)CCCl 4027989 [0,1,0,0,0,0|2,0,1]=4 18 B6R0.1 CNC(=O)CCO 4035059 [0,1,0,0,0,0|1,1,1]=4 19 B6R0.1 CNC(C)CCO 4027121 [0,1,0,0,0,0|0,1,2]=4 20 B6R0.1 COC(=O)CCO 4041011 [0,1,0,0,0,0|1,1,1]=4 21 B6R0.1 COC(C)CCN 4043534 [0,1,0,0,0,0|1,0,2]=4 22 B6R0.3 CC(C)C(=O)NN 3015435 [0,1,0,0,0,0|2,0,1]=4 23 B6R0.3 CC(C)C(O)CN 4038941 [0,1,0,0,0,0|1,0,2]=4 24 B6R0.3 CC(C)\C(N)=N\O 4031815 [0,1,0,0,0,0|1,1,1]=4 25 B6R0.3 CC(CN)N(C)C 4026858 [0,1,0,0,0,0|2,0,1]=4 26 B6R0.3 CN(C)C(=O)CN 4029380 [0,1,0,0,0,0|2,0,0]=3 27 B6R0.3 CN(C)C(=O)CO 4033769 [0,1,0,0,0,0|1,1,0]=3 28 B6R0.4 C=CCNC(C)C 4026873 [0,1,0,0,0,0|2,0,1]=4 29 B6R0.4 C=CCNC(C)C 4090944 [0,1,0,0,0,0|2,0,1]=4 30 B6R0.4 CC(C)SCCN 4012669 [0,1,0,0,0,0|1,0,2]=4 31 B6R0.4 CC(C)SCCN 4089980 [0,1,0,0,0,0|1,0,2]=4 32 B6R0.4 COCCC(C)=O 4022132 [0,1,0,0,0,0|1,1,1]=4 33 B6R0.4 CSCCC(=N)N 4042665 [0,1,0,0,0,0|2,0,1]=4 34 B6R0.5 CC(C)(O)CCCl 4047844 [0,1,0,0,0,0|1,0,2]=4 35 B6R0.5 CC(C)(O)CCN 4044047 [0,1,0,0,0,0|1,0,2]=4 36 B6R1.2 BrC1=CSN=C1 4039606 [0,0,0,1,0,0|2,0,1]=4 37 B6R1.2 ClC1=NSN=C1 4085357 [0,0,0,1,0,0|3,0,0]=4 38 B6R1.3 CCNC1CC1 4110570 [0,0,0,1,0,0|2,0,1]=4 39 B5R0.3 CC(CN)CO 4036254 [1,1,0,0,0,0|0,1,1]=4 40 B5R0.3 CNC(=O)CBr 4023689 [1,1,0,0,0,0|2,0,0]=4 41 B5R0.3 CNC(=O)CCl 4031514 [1,1,0,0,0,0|2,0,0]=4 42 B5R0.3 CNC(=O)CN 4030580 [1,1,0,0,0,0|2,0,0]=4 43 B5R0.3 CNC(=O)CO 4032781 [1,1,0,0,0,0|1,1,0]=4 44 B5R0.3 CNC(C)CO 4028640 [1,1,0,0,0,0|0,1,1]=4 45 B5R0.3 COC(C)CN 4031070 [1,1,0,0,0,0|1,0,1]=4 46 B5R0.3 COC(C)CO 4045600 [1,1,0,0,0,0|0,1,1]=4 47 B5R0.5 CC(C)C(=N)N 4034735 [1,1,0,0,0,0|1,0,1]=4 48 B5R0.5 CC(C)C(=N)N 4088764 [1,1,0,0,0,0|1,0,1]=4 49 B5R0.2 CNCCSC 4036386 [1,1,0,0,0,0|1,0,1]=4 50 B7R0.2 CC(C)NC(=O)CBr 4023681 [0,2,0,0,0,0|1,0,1]=4 51 B7R0.2 CC(C)NC(=O)CN 4030242 [0,2,0,0,0,0|1,0,1]=4 52 B7R0.2 CC(C)NC(=O)CN 4091078 [0,2,0,0,0,0|1,0,1]=4 53 B7R0.5 CN(C)C(=O)CCCl 4027165 [0,2,0,0,0,0|2,0,0]=4 54 B7R0.5 CN(C)C(=O)CCN 4033580 [0,2,0,0,0,0|2,0,0]=4 55 B7R0.5 CN(C)C(=O)CCO 4035245 [0,2,0,0,0,0|1,1,0]=4 56 B7R0.10 CCN(C)C(=O)CCl 4027839 [0,2,0,0,0,0|2,0,0]=4 57 B7R0.16 CC(Br)C(=O)N(C)C 4027414 [0,2,0,0,0,0|2,0,0]=4 58 B7R0.16 CC(N)C(=O)N(C)C 4033000 [0,2,0,0,0,0|2,0,0]=4 59 B7R0.16 CC(N)C(=O)N(C)C 4088550 [0,2,0,0,0,0|2,0,0]=4 60 B7R0.16 CC(O)C(=O)N(C)C 4035486 [0,2,0,0,0,0|1,1,0]=4 61 B7R0.14 CC(C)(C)C(=O)CN 4030730 [0,2,0,0,0,0|1,0,1]=4 62 B5R1.2 CC1CCN1 4040985 [1,0,0,1,0,0|1,0,1]=4 63 B5R1.2 OC1CSC1 4042896 [1,0,0,1,0,0|1,0,1]=4 64 B5R1.1 C1=CSN=C1 4036435 [1,0,0,1,0,0|1,0,1]=4 65 B7R1.1 NCC1=CSC=C1 4089439 [0,1,0,1,0,0|0,0,2]=4 66 B7R1.1 NCC1=CSC=C1 4100798 [0,1,0,1,0,0|0,0,2]=4 67 B7R1.3 CC1=CCNCC1 4036573 [0,1,0,1,0,0|1,0,0]=3 68 B7R1.3 O=C1CCCSC1 4021743 [0,1,0,1,0,0|1,0,1]=4