0 B7R0.6 C=C(C)CCC(=O)O 0114AA [0,0,0,0,0,0|2,0,2]=4 1 B7R0.6 CC(=O)CNC(C)=O 2096AC [0,0,0,0,0,0|3,0,1]=4 2 B7R0.6 CC(=O)\C=C\N(C)C 3259AA [0,0,0,0,0,0|4,0,0]=4 3 B7R0.6 O=C(O)\C=C\C(=O)O X2063 [0,0,0,0,0,0|0,0,0]=0 4 B7R0.6 O=C([O-])\C=C/C(=O)O 8175AL [0,0,0,0,0,0|0,0,1]=1 5 B6R0.4 C=C\C=C\C(=O)O Z4964 [1,0,0,0,0,0|1,0,0]=2 6 B8R0.9 CCC(=O)CCC(=O)O 8820AC [0,1,0,0,0,0|1,0,2]=4 7 B8R0.9 COC(=O)CCC(N)=O 8250AL [0,1,0,0,0,0|1,0,2]=4 8 B8R0.9 O=C(O)CNC(=O)CCl 7081AE [0,1,0,0,0,0|2,0,1]=4 9 B8R0.23 CC(NC(N)=O)C(=O)O 3202AL [0,1,0,0,0,0|2,0,1]=4 10 B8R0.23 C[C@@H](CC(=O)O)C(=O)O V1342 [0,1,0,0,0,0|0,0,2]=3 11 B8R0.23 NC(CC(=O)O)C(=O)[O-] 3294AL [0,1,0,0,0,0|0,0,3]=4 12 B8R0.23 NC(CC(=O)[O-])C(=O)O X5496 [0,1,0,0,0,0|0,0,3]=4 13 B8R0.23 N[C@@H](CC(=O)[O-])C(=O)O 6072AH [0,1,0,0,0,0|0,0,3]=4 14 B8R0.23 N[C@@H](CC(=O)[O-])C(=O)O 7299AH [0,1,0,0,0,0|0,0,3]=4 15 B8R0.23 N[C@@H](CC(=O)[O-])C(=O)O 7654AH [0,1,0,0,0,0|0,0,3]=4 16 B8R0.23 O=C(O)CC(Br)C(=O)O S343 [0,1,0,0,0,0|0,0,2]=3 17 B8R0.23 O=C(O)CC(O)C(=O)O 8844AL [0,1,0,0,0,0|0,0,2]=3 18 B8R1.3 CC1=NNC(=O)C=C1 6455AJ [0,0,0,1,0,0|3,0,0]=4 19 B8R1.3 CC1=NNC(=O)C=C1 Y9893 [0,0,0,1,0,0|3,0,0]=4 20 B8R1.3 NC1=CN=C(O)C=C1 V5265 [0,0,0,1,0,0|3,0,0]=4 21 B8R1.3 NC1=NC=C(O)C=C1 V8126 [0,0,0,1,0,0|3,0,0]=4 22 B8R1.3 OC1=CN=C(I)C=C1 5466AA [0,0,0,1,0,0|3,0,0]=4 23 B6R0.2 CC(=O)NC(C)=O 7247AF [0,0,0,0,1,0|3,0,0]=4 24 B8R0.28 CC(=O)\C=C\C=C(C)C 8087AA [0,0,0,0,0,1|3,0,0]=4 25 B8R0.28 O=C(O)\C=C\CC(=O)O C638 [0,0,0,0,0,1|0,0,0]=1 26 B5R0.1 C=CNC(C)=O 8689AL [2,0,0,0,0,0|2,0,0]=4 27 B5R0.2 C\C=C\C=C\C 5333AL [2,0,0,0,0,0|2,0,0]=4 28 B7R0.3 CCC(O)\C=C\C=O 1086AH [1,1,0,0,0,0|1,0,1]=4 29 B7R0.3 COC(=O)CNC=O 3413AB [1,1,0,0,0,0|1,0,1]=4 30 B7R0.5 CC(NC=O)C(=O)O 6246AE [1,1,0,0,0,0|1,0,1]=4 31 B9R0.53 NC(CC(=O)O)CC(=O)O 3938AB [0,1,0,0,0,1|0,0,2]=4 32 B9R0.23 C=C(NC(C)=O)C(=O)OC 4405AB [0,2,0,0,0,0|2,0,0]=4 33 B9R0.23 COC(=O)[C@@H](N)CC(=O)O V1217 [0,2,0,0,0,0|0,0,2]=4 34 B9R0.42 COC(=O)C[C@@H](N)C(=O)O V1600 [0,2,0,0,0,0|0,0,2]=4 35 B9R0.48 CCOC(=O)\C=C\C(C)=O 1161AL [0,2,0,0,0,0|1,0,0]=3 36 B9R0.39 CN[C@@H](CC(=O)O)C(=O)O Z5868 [0,2,0,0,0,0|0,0,2]=4 37 B9R0.57 C=C(OP(=O)(O)O)C(=O)O 1199AA [0,2,0,0,0,0|2,0,0]=4 38 B9R0.57 C=C(OP(=O)(O)O)C(=O)O 7634AH [0,2,0,0,0,0|2,0,0]=4 39 B9R0.57 C=C(OP(=O)([O-])O)C(=O)O 0193AQ [0,2,0,0,0,0|2,0,0]=4 40 B9R0.57 C=C(OP(=O)([O-])O)C(=O)O V5907 [0,2,0,0,0,0|2,0,0]=4 41 B9R0.79 NC(C(=O)O)C(O)C(=O)O 6063AL [0,2,0,0,0,0|0,0,2]=4 42 B9R0.79 O=C(O)C(Br)C(Br)C(=O)O H285 [0,2,0,0,0,0|0,0,2]=4 43 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O 1449AB [0,2,0,0,0,0|0,0,2]=4 44 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O Z7777 [0,2,0,0,0,0|0,0,2]=4 45 B7R1.2 O=C1CNC(=O)O1 1066AB [1,0,0,1,0,0|1,0,1]=4 46 B7R1.3 O=C1C=CC=CO1 X6757 [1,0,0,1,0,0|1,0,0]=3 47 B9R1.35 CC1=CC(C(=O)O)=CO1 Y8297 [0,0,0,1,0,1|2,0,0]=4 48 B9R1.35 CC1=CC(C(=O)O)=CS1 Y8110 [0,0,0,1,0,1|2,0,0]=4 49 B9R1.35 CC1=CN=C(C(=O)O)S1 X0108 [0,0,0,1,0,1|1,1,0]=4 50 B9R1.35 CC1=CSC(C(=O)O)=C1 Z0185 [0,0,0,1,0,1|2,0,0]=4 51 B9R1.35 CC1=CSC(C(=O)O)=N1 X0105 [0,0,0,1,0,1|2,0,0]=4 52 B9R1.35 CC1=NC(C(=O)O)=CN1 W3181 [0,0,0,1,0,1|2,0,0]=4 53 B9R1.35 CC1=NC(C(=O)O)=CO1 W4681 [0,0,0,1,0,1|2,0,0]=4 54 B9R1.35 CC1=NC(C(=O)O)=CS1 W5694 [0,0,0,1,0,1|2,0,0]=4 55 B9R1.35 CC1=NC=C(C(=O)O)O1 Y5240 [0,0,0,1,0,1|1,0,0]=3 56 B9R1.35 NC(=O)C1=CC=C(Br)O1 6684AE [0,0,0,1,0,1|2,0,0]=4 57 B9R1.35 O=C(O)C1=CC(Br)=CO1 Z4623 [0,0,0,1,0,1|2,0,0]=4 58 B9R1.35 O=C(O)C1=CC=C(F)S1 W6292 [0,0,0,1,0,1|1,1,0]=4 59 B9R1.35 O=C(O)C1=CC=C(I)S1 8970AB [0,0,0,1,0,1|1,1,0]=4 60 B9R1.35 O=C(O)C1=COC(Br)=C1 5491AJ [0,0,0,1,0,1|2,0,0]=4 61 B9R1.35 O=C(O)C1=COC(Br)=N1 Z3924 [0,0,0,1,0,1|2,0,0]=4 62 B9R1.35 O=C(O)C1=CSC(Br)=N1 W6688 [0,0,0,1,0,1|2,0,0]=4 63 B9R1.35 O=C(O)C1=CSC(Cl)=C1 W5762 [0,0,0,1,0,1|2,0,0]=4 64 B9R1.35 O=C(O)C1=CSC(Cl)=N1 W6687 [0,0,0,1,0,1|2,0,0]=4 65 B9R1.35 O=C(O)C1=NC=C(Br)S1 Y4853 [0,0,0,1,0,1|1,1,0]=4 66 B9R1.35 O=C(O)C1=NNC(O)=C1 4841AC [0,0,0,1,0,1|2,0,0]=4 67 B9R1.35 O=C1CCC(C(=O)O)O1 Y8251 [0,0,0,1,0,1|0,0,2]=4 68 B9R1.35 O=C1NC=C(C(=O)O)N1 V5719 [0,0,0,1,0,1|1,0,0]=3 69 B9R1.1 O=CC1=NC=C(O)C=C1 Y8673 [0,1,0,1,0,0|2,0,0]=4 70 B9R1.1 O=CC1=NN=C(O)C=C1 V9271 [0,1,0,1,0,0|2,0,0]=4 71 B9R1.69 CC1=CC=C(O)C=C1O W6520 [0,1,0,1,0,0|2,0,0]=4 72 B9R1.69 CN1NC(=O)C=CC1=O 5306AE [0,1,0,1,0,0|2,0,0]=4 73 B9R1.69 NC1=CC=C(O)C=C1O X7137 [0,1,0,1,0,0|2,0,0]=4 74 B9R1.69 O=C1C=CC(=O)C(Cl)=C1 Y1598 [0,1,0,1,0,0|2,0,0]=4 75 B9R1.69 OC1=CC(Br)=C(O)C=C1 8644AB [0,1,0,1,0,0|2,0,0]=4 76 B5R0.5 NC(=O)C(=O)[O-] Z3402 [0,0,0,0,2,0|1,0,1]=4