0 B8R1.50 CC1=C(C)C(N)=NN1 Z5327 [0,0,0,0,0,0|4,0,0]=4 1 B8R1.50 CC1=C(C)C(N)=NO1 V1317 [0,0,0,0,0,0|3,0,0]=3 2 B8R1.50 CC1=C(O)COC1=O 2737AL [0,0,0,0,0,0|2,0,1]=3 3 B8R1.50 CC1=CSC(=S)N1O 6061AL [0,0,0,0,0,0|3,1,0]=4 4 B8R1.50 CC1=NNC(C)=C1Cl 5060AD [0,0,0,0,0,0|4,0,0]=4 5 B8R1.50 CC1=NOC(C)=C1N V0678 [0,0,0,0,0,0|3,0,0]=3 6 B8R1.50 CC1CCC(=O)C1=O 6795AA [0,0,0,0,0,0|1,0,2]=3 7 B8R1.50 CN1C(=O)CSC1=O 8285AA [0,0,0,0,0,0|3,1,0]=4 8 B8R1.50 NN1C(=O)CCC1=O 8496AL [0,0,0,0,0,0|4,0,0]=4 9 B8R1.50 O=C1CCC(=O)N1O 4715AH [0,0,0,0,0,0|3,0,0]=3 10 B8R1.50 O=C1COC(=O)C1Cl 6019AL [0,0,0,0,0,0|2,0,1]=3 11 B8R1.50 O=C1OCC(Br)=C1Br 4605AD [0,0,0,0,0,0|3,0,0]=3 12 B7R1.2 CC1=CC(Br)=NO1 2132AB [1,0,0,0,0,0|2,0,0]=3 13 B7R1.2 CC1=CC(Cl)=NN1 Y7686 [1,0,0,0,0,0|3,0,0]=4 14 B7R1.2 CC1=CC(I)=NN1 5774AC [1,0,0,0,0,0|3,0,0]=4 15 B7R1.2 CC1=CC(N)=NN1 2288AA [1,0,0,0,0,0|3,0,0]=4 16 B7R1.2 CC1=CSC(Br)=C1 7530AB [1,0,0,0,0,0|3,0,0]=4 17 B7R1.2 CC1=CSC(C)=C1 X6352 [1,0,0,0,0,0|1,1,1]=4 18 B7R1.2 CC1=NC(Br)=NO1 2584AD [1,0,0,0,0,0|3,0,0]=4 19 B7R1.2 CC1=NC(N)=NO1 5458AB [1,0,0,0,0,0|3,0,0]=4 20 B7R1.2 CC1=NSC(Br)=C1 0520AB [1,0,0,0,0,0|3,0,0]=4 21 B7R1.2 CC1CCC(=O)N1 1659AA [1,0,0,0,0,0|2,0,1]=4 22 B7R1.2 NC1=CC(=O)NN1 W5121 [1,0,0,0,0,0|3,0,0]=4 23 B7R1.2 NC1=NCC(=O)N1 9553AA [1,0,0,0,0,0|3,0,0]=4 24 B7R1.2 O=C1CNC(=O)O1 1066AB [1,0,0,0,0,0|3,0,0]=4 25 B7R1.4 BrC1=COC=C1Br V5173 [1,0,0,0,0,0|2,0,1]=4 26 B7R1.4 CC1=C(Br)C=NO1 0948AC [1,0,0,0,0,0|2,0,0]=3 27 B7R1.4 CC1=C(C)OC=C1 5235AL [1,0,0,0,0,0|1,0,1]=3 28 B7R1.4 CC1=CSC=C1N 1699AB [1,0,0,0,0,0|3,0,0]=4 29 B7R1.4 CC1=NNC=C1N Z7407 [1,0,0,0,0,0|3,0,0]=4 30 B7R1.4 CN1N=CC=C1O 3947AB [1,0,0,0,0,0|2,0,1]=4 31 B7R1.4 O=C1CCC=C1O X8732 [1,0,0,0,0,0|1,0,0]=2 32 B7R1.4 O=C1OCCC1O 0071AB [1,0,0,0,0,0|1,0,2]=4 33 B7R1.4 O=C1OCC[C@H]1O 8329AB [1,0,0,0,0,0|1,0,2]=4 34 B9R1.27 CC1=NOC(C)=C1C=O W6880 [0,1,0,0,0,0|2,0,1]=4 35 B9R1.27 CC1=NOC(C)=C1CO Y8136 [0,1,0,0,0,0|2,0,0]=3 36 B7R0.10 C=C(CO)C(=O)OC X7006 [0,0,1,0,0,0|2,0,1]=4 37 B7R0.10 C=CC(O)C(=O)OC 7788AL [0,0,1,0,0,0|2,0,1]=4 38 B7R0.10 COC(=O)C(=O)CBr S720 [0,0,1,0,0,0|2,0,1]=4 39 B7R0.10 C\C=C(/Br)C(=O)OC 3521AL [0,0,1,0,0,0|3,0,0]=4 40 B7R0.10 C\C=C(/C)C(=O)OC 8251AL [0,0,1,0,0,0|3,0,0]=4 41 B7R0.10 O=C(CO)[C@@H](O)CO 8755AJ [0,0,1,0,0,0|1,0,2]=4 42 B7R0.16 CC(=O)N(C)C(C)=O Y3328 [0,0,1,0,0,0|2,0,1]=4 43 B9R1.3 CC1=CC=CC(F)=C1O 5559AJ [0,0,0,0,0,1|2,0,1]=4 44 B9R1.3 CC1=NC=CC(C)=C1O 2563AB [0,0,0,0,0,1|2,0,1]=4 45 B9R1.69 CC1=CC(O)=C(N)N=C1 6871AD [0,0,0,0,0,1|3,0,0]=4 46 B9R1.69 CC1=CC=C(Br)C(O)=N1 N252 [0,0,0,0,0,1|2,0,1]=4 47 B9R1.69 CC1=CC=C(O)C=C1O W6520 [0,0,0,0,0,1|1,0,2]=4 48 B9R1.69 CC1=CN=C(Cl)C(O)=C1 V8962 [0,0,0,0,0,1|3,0,0]=4 49 B9R1.69 CC1=NC=C(Br)C=C1O W9387 [0,0,0,0,0,1|2,0,1]=4 50 B9R1.69 CC1=NNC(=O)C(Br)=C1 6446AC [0,0,0,0,0,1|3,0,0]=4 51 B9R1.69 CC1=NNC(=O)NC1=O K697 [0,0,0,0,0,1|2,0,1]=4 52 B9R1.69 CN1CCC(=O)CC1=O Y2123 [0,0,0,0,0,1|2,0,1]=4 53 B6R0.1 CCOC(=O)NO 6247AE [1,0,1,0,0,0|1,0,1]=4 54 B6R0.1 COC(=O)\C=C\I 9331AB [1,0,1,0,0,0|2,0,0]=4 55 B6R0.1 C\C=C\C(=O)CC 2730AL [1,0,1,0,0,0|1,0,0]=3 56 B6R0.4 CCNCC(=O)O X5133 [1,0,1,0,0,0|1,0,1]=4 57 B6R0.3 CC(=O)C(=O)CBr W6757 [1,0,1,0,0,0|1,0,1]=4 58 B6R0.3 CCC(=O)C(C)=O 7386AF [1,0,1,0,0,0|0,0,2]=4 59 B6R0.3 CCC(O)C(=O)O Z2570 [1,0,1,0,0,0|0,0,2]=4 60 B6R0.3 CN(C)C(=O)CO 4466AD [1,0,1,0,0,0|2,0,0]=4 61 B6R0.3 CNC(C)C(=O)O 0549AP [1,0,1,0,0,0|1,0,1]=4 62 B6R0.3 CON(C)C(=O)Cl 8593AL [1,0,1,0,0,0|2,0,0]=4 63 B6R0.3 O=C(O)C(=O)CBr 7040AD [1,0,1,0,0,0|2,0,0]=4 64 B6R0.2 CC(=O)NC(C)=O 7247AF [1,0,1,0,0,0|1,0,1]=4 65 B6R1.2 BrC1=CON=C1 X5415 [2,0,0,0,0,0|2,0,0]=4 66 B6R1.2 BrC1=NOC=C1 2067AA [2,0,0,0,0,0|2,0,0]=4 67 B6R1.2 IC1=CON=C1 W8742 [2,0,0,0,0,0|2,0,0]=4 68 B6R1.2 NC1=CC=NO1 Z4172 [2,0,0,0,0,0|2,0,0]=4 69 B6R1.2 O=C1C=CNN1 X9987 [2,0,0,0,0,0|2,0,0]=4 70 B6R1.2 O=C1C=CSN1 Z3786 [2,0,0,0,0,0|1,1,0]=4 71 B6R1.2 OC1=CNN=C1 Y1506 [2,0,0,0,0,0|2,0,0]=4 72 B8R0.18 CON(C(C)=O)C(C)=O 8592AL [0,1,1,0,0,0|1,0,1]=4 73 B8R1.1 CC1=CC(CO)=NO1 W5683 [1,1,0,0,0,0|1,0,1]=4 74 B8R1.1 CC1=CSC(C=O)=C1 Y9589 [1,1,0,0,0,0|2,0,0]=4 75 B8R1.1 CC1=NC(C=O)=CO1 Y5199 [1,1,0,0,0,0|1,0,1]=4 76 B8R1.1 CC1=NOC(CBr)=C1 Y8895 [1,1,0,0,0,0|2,0,0]=4 77 B8R1.1 CC1=NOC(CO)=C1 Y7569 [1,1,0,0,0,0|2,0,0]=4 78 B8R1.1 COC1=CC(=O)CC1 6398AB [1,1,0,0,0,0|1,0,0]=3 79 B8R1.1 COC1=CC(=O)OC1 1405AQ [1,1,0,0,0,0|1,0,1]=4 80 B8R1.1 COC1=CC(N)=NO1 R093 [1,1,0,0,0,0|2,0,0]=4 81 B8R1.1 ClCC1=CC(Br)=NO1 Y7302 [1,1,0,0,0,0|2,0,0]=4 82 B8R1.1 O=C1C=C(CBr)CO1 5995AJ [1,1,0,0,0,0|2,0,0]=4 83 B8R1.1 OCC1=CC(Br)=NO1 W4909 [1,1,0,0,0,0|2,0,0]=4 84 B8R1.11 CC1=NNC=C1CO 4676AE [1,1,0,0,0,0|2,0,0]=4 85 B10R1.245 COC1=C(C)NC=CC1=O Y4017 [0,1,0,0,0,1|1,0,1]=4 86 B10R1.245 COC1=C(C)OC=CC1=O 6531AB [0,1,0,0,0,1|0,0,1]=3 87 B10R1.25 CC1=CC=C(C=O)C(O)=C1 X2734 [0,1,0,0,0,1|1,0,1]=4 88 B6R1.5 CC1CC(=O)O1 7160AL [1,0,0,0,1,0|0,0,2]=4 89 B8R1.4 CC1CC(=O)CCO1 3309AA [1,0,0,0,0,1|0,0,2]=4 90 B8R1.4 O=C1COCC(=O)C1 9192AB [1,0,0,0,0,1|1,0,1]=4