0 B5R0.1 C#CCC(=O)O 4035749 [0,0,0,0,0,0|1,0,3]=4 1 B5R0.1 C=C(C)CNN 4045392 [0,0,0,0,0,0|3,0,1]=4 2 B5R0.1 CNCC(C)O 4035012 [0,0,0,0,0,0|1,0,3]=4 3 B5R0.1 COCC(=N)N 4018503 [0,0,0,0,0,0|3,0,1]=4 4 B5R0.1 NC(=O)CCO 4070037 [0,0,0,0,0,0|2,0,2]=4 5 B5R0.1 NCCC(N)=O 4034723 [0,0,0,0,0,0|2,0,2]=4 6 B4R0.1 CC(=O)CN 4035253 [1,0,0,0,0,0|1,0,1]=3 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 B6R0.1 CCCC(=O)NN 3002586 [0,1,0,0,0,0|1,0,2]=4 10 B6R0.1 CCNC(=O)CBr 4023688 [0,1,0,0,0,0|1,0,1]=3 11 B6R0.1 CNC(=O)CCCl 4027989 [0,1,0,0,0,0|1,0,2]=4 12 B6R0.1 CNC(=O)CCO 4035059 [0,1,0,0,0,0|1,0,2]=4 13 B6R0.1 CNCC(=O)NC 4033340 [0,1,0,0,0,0|1,0,1]=3 14 B6R0.1 COC(=O)CCO 4041011 [0,1,0,0,0,0|1,0,2]=4 15 B6R0.2 NC(=O)CC(=O)O 4027194 [0,1,0,0,0,0|2,0,1]=4 16 B6R0.2 NC(N)=C[N+](=O)[O-] 4036725 [0,1,0,0,0,0|3,0,0]=4 17 B6R0.3 CNC(=O)C(C)Cl 4026929 [0,1,0,0,0,0|2,0,1]=4 18 B6R0.3 CNC(=O)C(C)N 4033710 [0,1,0,0,0,0|2,0,1]=4 19 B6R0.3 CNC(C)C(N)=O 4031071 [0,1,0,0,0,0|2,0,1]=4 20 B6R0.3 COC(C)C(=O)O 4020866 [0,1,0,0,0,0|2,0,1]=4 21 B6R0.3 CSC(C)C(=O)O 4034068 [0,1,0,0,0,0|2,0,1]=4 22 B6R0.3 NC(=O)\C(N)=N\O 4045328 [0,1,0,0,0,0|3,0,0]=4 23 B6R0.4 CNCCC(=O)O 4036102 [0,1,0,0,0,0|1,0,2]=4 24 B6R0.4 CNCCC(N)=O 4029061 [0,1,0,0,0,0|1,0,2]=4 25 B6R0.4 COCCC(C)=O 4022132 [0,1,0,0,0,0|0,0,2]=3 26 B6R0.4 NC(=O)CCCCl 4028442 [0,1,0,0,0,0|1,0,2]=4 27 B6R1.2 CC1=NNC=N1 4035655 [0,0,0,1,0,0|3,0,0]=4 28 B6R1.2 NC1=NOC=C1 4034713 [0,0,0,1,0,0|3,0,0]=4 29 B6R1.2 O=C1NC=CN1 4029600 [0,0,0,1,0,0|2,0,1]=4 30 B5R0.3 CNC(=O)CBr 4023689 [1,1,0,0,0,0|1,0,0]=3 31 B5R0.3 CNC(=O)CCl 4031514 [1,1,0,0,0,0|1,0,0]=3 32 B5R0.3 CNC(=O)CN 4030580 [1,1,0,0,0,0|1,0,0]=3 33 B5R0.3 CNC(=O)CO 4032781 [1,1,0,0,0,0|1,0,0]=3 34 B7R0.2 CC(C)NC(=O)CBr 4023681 [0,2,0,0,0,0|1,0,1]=4 35 B7R0.2 CC(C)NC(=O)CN 4030242 [0,2,0,0,0,0|1,0,1]=4 36 B7R0.2 CC(C)NC(=O)CN 4091078 [0,2,0,0,0,0|1,0,1]=4 37 B7R0.2 CCC(C)CC(C)=O 4031282 [0,2,0,0,0,0|0,0,2]=4 38 B7R0.2 CCN(C)CC(C)=O 4028374 [0,2,0,0,0,0|0,0,2]=4 39 B7R0.2 CCN(C)CC(C)=O 4088950 [0,2,0,0,0,0|0,0,2]=4 40 B7R0.2 CNC(=O)CC(=N)N 4043145 [0,2,0,0,0,0|1,0,1]=4 41 B7R0.2 CNC(=O)CC(=O)O 4027258 [0,2,0,0,0,0|1,0,1]=4 42 B7R0.2 COC(=O)CC(=N)N 4042869 [0,2,0,0,0,0|1,0,1]=4 43 B7R0.3 CCC(=O)NCCN 4110359 [0,2,0,0,0,0|1,0,1]=4 44 B7R0.3 CNC(=O)CCCN 4030090 [0,2,0,0,0,0|0,0,2]=4 45 B7R0.3 CNCCC(=O)NC 4030744 [0,2,0,0,0,0|0,0,2]=4 46 B7R0.5 CC(=O)N(C)CCO 4036108 [0,2,0,0,0,0|1,0,1]=4 47 B7R0.5 CCNC(=O)C(C)Cl 4028638 [0,2,0,0,0,0|1,0,1]=4 48 B7R0.7 CCNC(=O)CCCl 4027744 [0,2,0,0,0,0|1,0,1]=4 49 B7R0.7 CCOC(=O)CCO 4040900 [0,2,0,0,0,0|1,0,1]=4 50 B7R0.10 CCC(N)C(=O)NC 4033837 [0,2,0,0,0,0|0,0,2]=4 51 B7R0.10 CCN(C)C(=O)CCl 4027839 [0,2,0,0,0,0|1,0,1]=4 52 B7R0.10 CNC(=O)C(C)NC 4034384 [0,2,0,0,0,0|1,0,1]=4 53 B7R0.10 CNC(=O)\C(N)=N/O 4045634 [0,2,0,0,0,0|2,0,0]=4 54 B7R0.10 CNC(C)C(=O)OC 4044238 [0,2,0,0,0,0|1,0,1]=4 55 B7R0.10 COC(=O)C(=O)NN 4035403 [0,2,0,0,0,0|2,0,0]=4 56 B7R0.16 CC(=O)C(=O)N(C)C 4051999 [0,2,0,0,0,0|1,0,0]=3 57 B7R0.4 CC(=O)NCCCO 4032317 [0,2,0,0,0,0|0,0,2]=4 58 B7R0.6 CC(=O)CCN(C)C 4090669 [0,2,0,0,0,0|0,0,2]=4 59 B7R0.6 CC(=O)CCN(C)C 5108147 [0,2,0,0,0,0|0,0,2]=4 60 B5R1.1 C1=CSN=C1 4036435 [1,0,0,1,0,0|1,1,0]=4 61 B7R1.1 CCC1=NNC=C1 4042936 [0,1,0,1,0,0|2,0,0]=4 62 B7R1.1 CCC1C=CCN1 4030606 [0,1,0,1,0,0|1,0,1]=4 63 B7R1.1 NCC1=CC=NN1 2102294 [0,1,0,1,0,0|2,0,0]=4 64 B7R1.1 NCC1=CC=NO1 2102257 [0,1,0,1,0,0|1,0,1]=4 65 B7R1.1 NCC1=CSC=C1 4089439 [0,1,0,1,0,0|2,0,0]=4 66 B7R1.1 NCC1=CSC=C1 4100798 [0,1,0,1,0,0|2,0,0]=4 67 B7R1.1 OCC1C=CCN1 4029232 [0,1,0,1,0,0|1,0,1]=4 68 B7R1.2 CC1=NN=C(C)N1 4030190 [0,1,0,1,0,0|2,0,0]=4 69 B7R1.2 CC1=NNC(Br)=C1 4074511 [0,1,0,1,0,0|2,0,0]=4 70 B7R1.2 CC1=NNC(Cl)=C1 4029847 [0,1,0,1,0,0|2,0,0]=4 71 B7R1.2 CC1CNC(=O)C1 4026755 [0,1,0,1,0,0|0,0,2]=4 72 B7R1.2 CC1CNC(=O)O1 4043936 [0,1,0,1,0,0|1,0,1]=4 73 B7R1.2 CC1COC(=O)N1 4045335 [0,1,0,1,0,0|1,0,1]=4 74 B7R1.2 CN1C=CC(Br)=N1 4036169 [0,1,0,1,0,0|2,0,0]=4 75 B7R1.3 CC1=CCNCC1 4036573 [0,1,0,1,0,0|1,0,1]=4 76 B7R1.3 O=C1CCCSC1 4021743 [0,1,0,1,0,0|0,0,2]=4 77 B7R1.3 O=C1CNCCN1 4102110 [0,1,0,1,0,0|1,0,1]=4 78 B7R1.3 O=C1NCCCO1 4035958 [0,1,0,1,0,0|1,0,1]=4 79 B7R1.4 CC1=C(N)C=NN1 4033144 [0,1,0,1,0,0|2,0,0]=4 80 B7R1.4 CC1=NNC=C1Cl 4045387 [0,1,0,1,0,0|2,0,0]=4 81 B7R1.4 CN1C=CNC1=O 4044124 [0,1,0,1,0,0|1,0,1]=4 82 B7R1.4 CN1N=CC=C1Br 4035636 [0,1,0,1,0,0|2,0,0]=4 83 B7R1.4 NC1CCNC1=O 4110613 [0,1,0,1,0,0|1,0,1]=4 84 B7R1.20 CC(=O)CC1CC1 4002838 [0,1,0,1,0,0|0,0,2]=4