0 B7R0.7 CCNC(=O)CCCl 4027744 [0,0,0,0,0,0|2,0,2]=4 1 B7R0.7 CCOC(=O)CCO 4040900 [0,0,0,0,0,0|1,0,2]=3 2 B7R0.7 CCOC(C)CNC 4030660 [0,0,0,0,0,0|2,0,2]=4 3 B6R0.1 CCCC(=O)NN 3002586 [1,0,0,0,0,0|3,0,0]=4 4 B6R0.1 CCNC(=O)CBr 4023688 [1,0,0,0,0,0|2,0,1]=4 5 B6R0.1 CNC(=O)CCCl 4027989 [1,0,0,0,0,0|3,0,0]=4 6 B6R0.1 CNC(=O)CCO 4035059 [1,0,0,0,0,0|3,0,0]=4 7 B6R0.1 CNCC(=O)NC 4033340 [1,0,0,0,0,0|2,0,1]=4 8 B6R0.1 COC(=O)CCO 4041011 [1,0,0,0,0,0|1,0,2]=4 9 B6R0.6 CCOCCNC 4030249 [1,0,0,0,0,0|1,0,2]=4 10 B8R0.3 CCOC(=O)C(=O)CC 4013605 [0,1,0,0,0,0|0,0,1]=2 11 B8R0.5 COCC(=O)CC(C)=O 4036230 [0,1,0,0,0,0|2,0,1]=4 12 B8R1.4 CC1CCCC(=O)N1 4027532 [0,0,0,1,0,0|1,0,2]=4 13 B8R1.4 CC1COCC(=O)N1 4028237 [0,0,0,1,0,0|2,0,1]=4 14 B8R1.4 C[C@@H]1CNCC(=O)N1 4054334 [0,0,0,1,0,0|2,0,1]=4 15 B8R1.4 C[C@H]1CNCC(=O)N1 4108180 [0,0,0,1,0,0|2,0,1]=4 16 B8R1.8 CCCC1C=CCN1 4029126 [0,0,0,1,0,0|2,0,1]=4 17 B8R1.11 CCC1CCNC1=O 4035898 [0,0,0,1,0,0|1,0,2]=4 18 B8R1.11 CCN1N=CC=C1Br 4043527 [0,0,0,1,0,0|3,0,0]=4 19 B8R1.18 CC1=C(C)NC(=O)N1 4085336 [0,0,0,1,0,0|2,0,1]=4 20 B8R1.18 CC1=C(C)OC(=O)N1 4044048 [0,0,0,1,0,0|1,0,1]=3 21 B8R1.18 CC1=C(C)OC(N)=N1 4030804 [0,0,0,1,0,0|2,0,1]=4 22 B8R1.22 O=C1CNCCCN1 4015468 [0,0,0,1,0,0|2,0,1]=4 23 B5R0.3 CNC(=O)CBr 4023689 [2,0,0,0,0,0|2,0,0]=4 24 B5R0.3 CNC(=O)CCl 4031514 [2,0,0,0,0,0|2,0,0]=4 25 B5R0.3 CNC(=O)CN 4030580 [2,0,0,0,0,0|2,0,0]=4 26 B5R0.3 CNC(=O)CO 4032781 [2,0,0,0,0,0|2,0,0]=4 27 B7R0.2 COC(=O)CC(=N)N 4042869 [1,1,0,0,0,0|1,0,1]=4 28 B7R0.3 CCC(=O)NCCN 4110359 [1,1,0,0,0,0|1,0,1]=4 29 B7R0.3 CCOCC(=O)NN 4024074 [1,1,0,0,0,0|2,0,0]=4 30 B7R0.3 CCOCC(=O)NN 4089996 [1,1,0,0,0,0|2,0,0]=4 31 B7R0.3 CNC(=O)CCCN 4030090 [1,1,0,0,0,0|2,0,0]=4 32 B7R0.3 CNCCC(=O)NC 4030744 [1,1,0,0,0,0|2,0,0]=4 33 B7R0.5 CCNC(=O)C(C)Cl 4028638 [1,1,0,0,0,0|1,0,1]=4 34 B7R0.10 CCC(N)C(=O)NC 4033837 [1,1,0,0,0,0|2,0,0]=4 35 B7R0.10 CNC(C)C(=O)OC 4044238 [1,1,0,0,0,0|1,0,1]=4 36 B7R0.10 COC(=O)C(=O)NN 4035403 [1,1,0,0,0,0|2,0,0]=4 37 B9R0.48 C=C(C)\C=C\C(=O)OCC 4074677 [0,2,0,0,0,0|0,0,0]=2 38 B7R1.1 CCC1=NNC=C1 4042936 [1,0,0,1,0,0|2,0,0]=4 39 B7R1.1 CCC1C=CCN1 4030606 [1,0,0,1,0,0|1,0,1]=4 40 B7R1.2 CC1CNC(=O)C1 4026755 [1,0,0,1,0,0|2,0,0]=4 41 B7R1.2 CC1CNC(=O)O1 4043936 [1,0,0,1,0,0|1,0,0]=3 42 B7R1.2 CC1COC(=O)N1 4045335 [1,0,0,1,0,0|1,0,1]=4 43 B7R1.3 O=C1CCCSC1 4021743 [1,0,0,1,0,0|1,0,1]=4 44 B7R1.3 O=C1NCCCO1 4035958 [1,0,0,1,0,0|1,0,0]=3 45 B9R1.7 CCOC1=CC(C)=NN1 4028938 [0,1,0,1,0,0|1,0,0]=3 46 B9R1.15 CCC1=NC=CNC1=O 4045735 [0,1,0,1,0,0|2,0,0]=4 47 B9R1.22 CC1=CC(CO)=C(C)O1 4034575 [0,1,0,1,0,0|1,0,1]=4 48 B9R1.22 CCN1N=C(N)C=C1C 4029410 [0,1,0,1,0,0|2,0,0]=4 49 B9R1.33 NCCN1CCOC1=O 4012055 [0,1,0,1,0,0|1,0,1]=4 50 B9R1.69 CC1=C(C)NC(=O)C=C1 4034896 [0,1,0,1,0,0|1,0,1]=4 51 B9R1.69 CC1=CC(=O)NN=C1C 4043500 [0,1,0,1,0,0|1,0,1]=4 52 B9R1.137 CC(=O)CC(=O)C1CC1 5108777 [0,1,0,1,0,0|1,0,1]=4