0 B8R0.23 C/C(=C\C(=O)O)/C(=O)O Z104476308 [0,0,0,0,0,0|0,0,0]=0 1 B8R0.23 C=C(CC(=O)O)C(=O)O Z57127539 [0,0,0,0,0,0|0,0,2]=2 2 B8R0.23 CC(=O)N(C)CC(=O)O Z85895184 [0,0,0,0,0,0|2,0,1]=3 3 B8R0.23 CC(=O)NC(C)C(=O)O Z104483794 [0,0,0,0,0,0|2,0,1]=3 4 B8R0.23 CC(=O)N[C@@H](C)C(=O)O Z98655371 [0,0,0,0,0,0|2,0,1]=3 5 B8R0.23 CC(=O)N[C@H](C)C(=O)O Z829930658 [0,0,0,0,0,0|2,0,1]=3 6 B8R0.23 CC(CC(=O)N)C(=O)O Z1203581899 [0,0,0,0,0,0|1,0,2]=3 7 B8R0.23 CC(CC(=O)O)C(=O)N Z1203579878 [0,0,0,0,0,0|1,0,2]=3 8 B8R0.23 CC(CS(=O)C)C(=O)O Z802572188 [0,0,0,0,0,0|2,0,2]=4 9 B8R0.23 CC(NC(=O)N)C(=O)O Z56858169 [0,0,0,0,0,0|2,0,1]=3 10 B8R0.23 CN(CC(=O)O)C(=N)N Z1203577925 [0,0,0,0,0,0|3,0,1]=4 11 B8R0.23 CN(CC(=O)O)C(=O)N Z126513734 [0,0,0,0,0,0|2,0,1]=3 12 B8R0.23 NC(=O)CC(N)C(=O)O Z104481196 [0,0,0,0,0,0|2,0,2]=4 13 B8R0.23 NC(=O)C[C@@H](N)C(=O)O Z1147451758 [0,0,0,0,0,0|2,0,2]=4 14 B8R0.23 NC(=O)C[C@H](N)C(=O)O Z1066276474 [0,0,0,0,0,0|2,0,2]=4 15 B8R0.23 NC(=O)[C@@H](N)CC(=O)O Z1198149443 [0,0,0,0,0,0|2,0,2]=4 16 B8R0.23 NC(CC(=O)O)C(=O)O Z104474760 [0,0,0,0,0,0|1,0,2]=3 17 B8R0.23 N[C@@H](CC(=O)O)C(=O)O Z995084132 [0,0,0,0,0,0|1,0,2]=3 18 B8R0.23 N[C@H](CC(=O)O)C(=O)O Z1079451886 [0,0,0,0,0,0|1,0,2]=3 19 B8R0.23 O=C(O)/C=C(\I)/C(=O)O Z540727104 [0,0,0,0,0,0|1,0,0]=1 20 B8R0.23 O=C(O)CC(=O)C(=O)O Z271128590 [0,0,0,0,0,0|1,0,1]=2 21 B8R0.23 O=C(O)CC(O)C(=O)O Z104473230 [0,0,0,0,0,0|1,0,2]=3 22 B8R0.23 O=C(O)CC(S)C(=O)O Z104478826 [0,0,0,0,0,0|1,0,2]=3 23 B8R0.23 O=C(O)C[C@@H](O)C(=O)O Z1205493568 [0,0,0,0,0,0|1,0,2]=3 24 B8R0.23 O=C(O)C[C@H](O)C(=O)O Z1201618618 [0,0,0,0,0,0|1,0,2]=3 25 B7R0.2 CC/C(=C/C(=O)O)/C Z2583321519 [1,0,0,0,0,0|1,0,1]=3 26 B7R0.2 CN(CC(=O)O)N=O Z1198151307 [1,0,0,0,0,0|2,0,1]=4 27 B7R0.5 C/C=C/C(O)C(=O)O Z2515207189 [1,0,0,0,0,0|2,0,1]=4 28 B7R0.5 CC(NC=O)C(=O)O Z56757230 [1,0,0,0,0,0|1,0,1]=3 29 B7R0.6 CC(=O)CCC(=O)O Z104477318 [1,0,0,0,0,0|1,0,2]=4 30 B7R0.6 CC(=O)NCC(=O)O Z85886676 [1,0,0,0,0,0|2,0,1]=4 31 B7R0.6 NC(=O)NCC(=O)O Z57009586 [1,0,0,0,0,0|2,0,1]=4 32 B7R0.6 O=C(O)/C=C/C(=O)O Z57127460 [1,0,0,0,0,0|0,0,0]=1 33 B7R0.6 O=C(O)CCC(=O)O Z57127453 [1,0,0,0,0,0|0,0,2]=3 34 B9R0.10 C/C(=C\C(=O)O)/P(=O)(O)O Z1262523268 [0,1,0,0,0,0|1,0,0]=2 35 B9R0.11 CC(=O)CC(C)(C)C(=O)O Z1205493714 [0,1,0,0,0,0|1,0,2]=4 36 B9R0.11 CC(=O)NC(C)(C)C(=O)O Z801820486 [0,1,0,0,0,0|2,0,1]=4 37 B9R0.11 CC(O)(CC(=O)O)C(=O)O Z1255442426 [0,1,0,0,0,0|0,0,2]=3 38 B9R0.23 C=CC(=O)N(C)CC(=O)O Z316091412 [0,1,0,0,0,0|2,0,1]=4 39 B9R0.23 COC(=O)C(=O)CC(=O)C Z111869226 [0,1,0,0,0,0|2,0,1]=4 40 B9R0.23 COC(=O)C(C)CC(=O)C Z838956118 [0,1,0,0,0,0|1,0,2]=4 41 B9R0.23 COC(=O)C(C)CC(=O)O Z1365493289 [0,1,0,0,0,0|0,0,2]=3 42 B9R0.23 COC(=O)N(C)CC(=O)O Z319610256 [0,1,0,0,0,0|1,0,1]=3 43 B9R0.39 CC(=O)NC(CO)C(=O)O Z239132792 [0,1,0,0,0,0|2,0,1]=4 44 B9R0.39 CC(=O)N[C@@H](CS)C(=O)O Z1143441555 [0,1,0,0,0,0|2,0,1]=4 45 B9R0.39 CCC(CC(=O)O)C(=O)O Z1205493643 [0,1,0,0,0,0|0,0,2]=3 46 B9R0.39 CCC(NC(=O)N)C(=O)O Z90663559 [0,1,0,0,0,0|2,0,1]=4 47 B9R0.39 NC(=O)NC(CO)C(=O)O Z57009601 [0,1,0,0,0,0|2,0,1]=4 48 B9R0.39 NCC(CC(=O)O)C(=O)O Z1532540523 [0,1,0,0,0,0|0,0,2]=3 49 B9R0.42 C=C(CC(=O)OC)C(=O)O Z1201617378 [0,1,0,0,0,0|0,0,2]=3 50 B9R0.42 CC(NC(=O)CCl)C(=O)O Z235363005 [0,1,0,0,0,0|2,0,1]=4 51 B9R0.42 CCC(=O)NC(C)C(=O)O Z239130514 [0,1,0,0,0,0|2,0,1]=4 52 B9R0.42 CNC(=O)NC(C)C(=O)O Z223131756 [0,1,0,0,0,0|2,0,1]=4 53 B9R0.42 COC(=O)/C=C(\N)/C(=O)N Z87002018 [0,1,0,0,0,0|2,0,0]=3 54 B9R0.42 COC(=O)C[C@H](N)C(=O)O Z1079458540 [0,1,0,0,0,0|1,0,2]=4 55 B9R0.57 C/C(=C\C(C)(C)C)/C(=O)O Z1868430509 [0,1,0,0,0,0|2,0,1]=4 56 B9R0.57 C=C(OP(=O)([O-])O)C(=O)O Z2429425999 [0,1,0,0,0,0|2,0,1]=4 57 B9R0.79 C/C(=C(/C)\C(=O)O)/C(=O)O Z2607361494 [0,1,0,0,0,0|0,0,0]=1 58 B9R0.79 CC(C(=O)O)C(C)C(=O)O Z1205493640 [0,1,0,0,0,0|0,0,2]=3 59 B9R0.79 O=C(O)C(O)C(O)C(=O)O Z104473036 [0,1,0,0,0,0|1,0,2]=4 60 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O Z1147451575 [0,1,0,0,0,0|1,0,2]=4 61 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O Z1147451717 [0,1,0,0,0,0|1,0,2]=4 62 B9R0.79 O=C(O)[C@H](S)[C@H](S)C(=O)O Z1255431202 [0,1,0,0,0,0|1,0,2]=4 63 B9R1.35 CC(=O)C1=NOC(=C1)C Z1255384089 [0,0,0,1,0,0|3,0,0]=4 64 B9R1.35 CC1=CC(=CN1)C(=O)O Z1198267230 [0,0,0,1,0,0|2,0,1]=4 65 B9R1.35 CC1=CC(=CO1)C(=O)O Z1205493994 [0,0,0,1,0,0|1,0,1]=3 66 B9R1.35 CC1=CC(=CS1)C(=O)O Z979749380 [0,0,0,1,0,0|1,1,1]=4 67 B9R1.35 CC1=CC(=NN1)C(=O)O Z752370868 [0,0,0,1,0,0|3,0,0]=4 68 B9R1.35 CC1=CNC(=C1)C(=O)O Z1201622537 [0,0,0,1,0,0|3,0,0]=4 69 B9R1.35 CC1=COC(=C1)C(=O)O Z1205494707 [0,0,0,1,0,0|3,0,0]=4 70 B9R1.35 CC1=CSC(=C1)C(=O)O Z1203160201 [0,0,0,1,0,0|3,0,0]=4 71 B9R1.35 CC1=NOC(=C1)C(=O)O Z90660974 [0,0,0,1,0,0|3,0,0]=4 72 B9R1.35 CC1=NSC(=C1)C(=O)O Z1198313658 [0,0,0,1,0,0|3,0,0]=4 73 B9R1.35 CC1C=C(CC1)C(=O)O Z1205494874 [0,0,0,1,0,0|2,0,1]=4 74 B9R1.35 NC(=O)C1=COC(=C1)Br Z337983072 [0,0,0,1,0,0|2,0,1]=4 75 B9R1.35 NC1=NNC(=C1)C(=O)O Z275170588 [0,0,0,1,0,0|3,0,0]=4 76 B9R1.35 O=C(O)C1=CC(=CN1)Cl Z104341138 [0,0,0,1,0,0|3,0,0]=4 77 B9R1.35 O=C(O)C1=CC(=CN1)I Z1183442837 [0,0,0,1,0,0|3,0,0]=4 78 B9R1.35 O=C(O)C1=CC(=CO1)Br Z1198150497 [0,0,0,1,0,0|3,0,0]=4 79 B9R1.35 O=C(O)C1=CC(=CS1)Br Z275128148 [0,0,0,1,0,0|3,0,0]=4 80 B9R1.35 O=C(O)C1=CC(=CS1)F Z1198275133 [0,0,0,1,0,0|3,0,0]=4 81 B9R1.35 O=C(O)C1=CC(=CS1)O Z1157742699 [0,0,0,1,0,0|2,0,0]=3 82 B9R1.35 O=C(O)C1=CC(=NO1)O Z1198180707 [0,0,0,1,0,0|2,0,0]=3 83 B9R1.35 O=C(O)C1=CNC(=C1)Br Z1171220840 [0,0,0,1,0,0|2,0,1]=4 84 B9R1.35 O=C(O)C1=COC(=C1)Br Z255102436 [0,0,0,1,0,0|1,0,1]=3 85 B9R1.35 O=C(O)C1=COC(=C1)Cl Z1255365854 [0,0,0,1,0,0|1,0,1]=3 86 B9R1.35 O=C(O)C1=COC(=N1)Cl Z1198305489 [0,0,0,1,0,0|2,0,1]=4 87 B9R1.35 O=C(O)C1=CSC(=C1)Br Z234969399 [0,0,0,1,0,0|1,1,1]=4 88 B9R1.35 O=C(O)C1=CSC(=C1)Cl Z1198150257 [0,0,0,1,0,0|1,1,1]=4 89 B9R1.35 O=C(O)C1=CSC(=C1)I Z952016278 [0,0,0,1,0,0|1,1,1]=4 90 B9R1.35 O=C(O)C1=NNC(=C1)Br Z1416184726 [0,0,0,1,0,0|3,0,0]=4 91 B9R1.35 O=C1CC(=NN1)C(=O)O Z815290366 [0,0,0,1,0,0|2,0,1]=4 92 B9R1.35 O=C1CC(CN1)C(=O)O Z239137534 [0,0,0,1,0,0|1,0,2]=4 93 B9R1.35 O=C1CC(CO1)C(=O)O Z1205493721 [0,0,0,1,0,0|0,0,2]=3 94 B9R1.35 O=C1CC(CS1)C(=O)O Z1201622329 [0,0,0,1,0,0|0,1,2]=4 95 B9R1.35 O=C1CCC(C1)C(=O)O Z1205493622 [0,0,0,1,0,0|1,0,2]=4 96 B9R1.35 O=C1CCC(N1)C(=O)O Z104474096 [0,0,0,1,0,0|2,0,1]=4 97 B9R1.35 O=C1CCC(O1)C(=O)O Z1198149867 [0,0,0,1,0,0|2,0,1]=4 98 B9R1.35 O=C1CCC(S1)C(=O)O Z1205655674 [0,0,0,1,0,0|2,0,1]=4 99 B9R1.35 O=C1CC[C@@H](N1)C(=O)O Z812534840 [0,0,0,1,0,0|2,0,1]=4 100 B9R1.35 O=C1CC[C@H](N1)C(=O)O Z1154378309 [0,0,0,1,0,0|2,0,1]=4 101 B9R1.35 O=C1NC(=CS1)C(=O)O Z1205494720 [0,0,0,1,0,0|1,1,1]=4 102 B9R1.35 O=C1NC(CO1)C(=O)O Z1201627960 [0,0,0,1,0,0|1,0,1]=3 103 B9R1.35 O=C1NC(CS1)C(=O)O Z199409846 [0,0,0,1,0,0|1,1,1]=4 104 B9R1.35 O=C1NC=C(N1)C(=O)O Z56921827 [0,0,0,1,0,0|2,0,1]=4 105 B9R1.35 O=C1NCC(N1)C(=O)O Z1162470818 [0,0,0,1,0,0|2,0,1]=4 106 B9R1.35 O=C1NCC(O1)C(=O)O Z1203735066 [0,0,0,1,0,0|2,0,1]=4 107 B9R1.35 O=C1N[C@@H](CS1)C(=O)O Z203038562 [0,0,0,1,0,0|1,1,1]=4 108 B9R1.35 O=C1OCC(O1)C(=O)O Z1889707900 [0,0,0,1,0,0|1,0,1]=3 109 B9R1.69 CC1=C(C=C(C=C1)O)C Z104477218 [0,0,0,1,0,0|3,0,0]=4 110 B9R1.69 CC1=C(C=CC(=C1)Br)O Z57203793 [0,0,0,1,0,0|3,0,0]=4 111 B9R1.69 CC1=C(C=CC(=C1)Cl)O Z104477908 [0,0,0,1,0,0|3,0,0]=4 112 B9R1.69 CC1=C(C=CC(=C1)F)O Z384970672 [0,0,0,1,0,0|3,0,0]=4 113 B9R1.69 CC1=C(C=CC(=C1)O)Br Z401597308 [0,0,0,1,0,0|3,0,0]=4 114 B9R1.69 CC1=C(C=CC(=C1)O)Cl Z104477910 [0,0,0,1,0,0|3,0,0]=4 115 B9R1.69 CC1=C(C=CC(=C1)O)F Z1021305330 [0,0,0,1,0,0|3,0,0]=4 116 B9R1.69 CC1=C(C=CC(=C1)O)I Z1269160508 [0,0,0,1,0,0|3,0,0]=4 117 B9R1.69 CC1=C(C=NC(=C1)O)I Z1269231181 [0,0,0,1,0,0|3,0,0]=4 118 B9R1.69 CC1=C(N=NC(=C1)O)C Z1258992450 [0,0,0,1,0,0|3,0,0]=4 119 B9R1.69 CC1=C(N=NC(=C1)O)O Z2379087837 [0,0,0,1,0,0|2,0,0]=3 120 B9R1.69 CC1=CC(=CNC1=O)Br Z1251353012 [0,0,0,1,0,0|3,0,0]=4 121 B9R1.69 CC1=CC(=CNC1=O)I Z1258842308 [0,0,0,1,0,0|3,0,0]=4 122 B9R1.69 CC1=CC(=O)C(=CO1)O Z1198164652 [0,0,0,1,0,0|3,0,0]=4 123 B9R1.69 CC1=CC(=O)C=CC1=O Z57248271 [0,0,0,1,0,0|2,0,0]=3 124 B9R1.69 CC1=CC(=O)NC=C1Br Z1251353595 [0,0,0,1,0,0|3,0,0]=4 125 B9R1.69 CC1=CNC(=O)C(=C1)C Z1203732572 [0,0,0,1,0,0|3,0,0]=4 126 B9R1.69 CC1NC(=O)COC1=O Z1203734682 [0,0,0,1,0,0|2,0,1]=4 127 B9R1.69 OC1=CC(=C(C=C1)O)O Z1255438414 [0,0,0,1,0,0|3,0,0]=4 128 B9R1.69 OC1=NN=C(C(=C1)Br)O Z1198655184 [0,0,0,1,0,0|3,0,0]=4 129 B9R1.137 C/C(=C\C(=O)O)/C1CC1 Z352747102 [0,0,0,1,0,0|2,0,1]=4 130 B9R1.161 NC(=O)[C@@H]1C[C@@H]1C(=O)O Z1955831192 [0,0,0,1,0,0|1,0,2]=4 131 B9R1.161 O=C(O)[C@@H]1C[C@H]1C(=O)O Z1198723936 [0,0,0,1,0,0|0,0,2]=3 132 B9R1.161 O=C(O)[C@H]1C[C@H]1C(=O)O Z1955918485 [0,0,0,1,0,0|0,0,2]=3 133 B7R0.16 CC(=C(F)C(=O)O)C Z1205494362 [0,0,0,0,1,0|3,0,0]=4 134 B7R0.16 CC(=C(F)F)C(=O)O Z1205497572 [0,0,0,0,1,0|2,0,0]=3 135 B7R0.16 CC(=O)C(C)C(=O)C Z56943775 [0,0,0,0,1,0|2,0,1]=4 136 B7R0.16 CC(C(=O)N)C(=O)N Z1203578231 [0,0,0,0,1,0|2,0,1]=4 137 B7R0.16 CC(C(=O)O)C(=O)O Z787653408 [0,0,0,0,1,0|0,0,1]=2 138 B7R0.16 CC(O)C(C)C(=O)O Z982137146 [0,0,0,0,1,0|1,0,2]=4 139 B7R0.16 O=C(O)C(O)C(=O)O Z90123595 [0,0,0,0,1,0|1,0,1]=3 140 B9R0.7 NC(CCC(=O)O)C(=O)O Z57127545 [0,0,0,0,0,1|1,0,2]=4 141 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O Z756440052 [0,0,0,0,0,1|1,0,2]=4 142 B9R0.7 N[C@H](CCC(=O)O)C(=O)O Z1741982700 [0,0,0,0,0,1|1,0,2]=4 143 B9R0.7 O=C(O)CCC(=O)C(=O)O Z57127547 [0,0,0,0,0,1|1,0,1]=3 144 B9R0.53 C/C(=C\C(=O)O)/CC(=O)O Z1198157053 [0,0,0,0,0,1|0,0,0]=1 145 B9R0.53 CC(CC(=O)O)CC(=O)O Z1041180516 [0,0,0,0,0,1|0,0,2]=3 146 B9R0.53 CC(CC(=O)O)NC(=O)N Z398943198 [0,0,0,0,0,1|1,0,2]=4 147 B9R0.53 CN(CC(=O)O)CC(=O)O Z119894774 [0,0,0,0,0,1|1,0,1]=3 148 B9R0.53 O=C(O)CC(O)CC(=O)O Z1198167174 [0,0,0,0,0,1|1,0,2]=4 149 B6R0.2 C/C(=C/C(=O)O)/I Z1508917269 [2,0,0,0,0,0|1,0,0]=3 150 B6R0.2 C=C(C)CC(=O)O Z295890066 [2,0,0,0,0,0|0,0,1]=3 151 B6R0.2 CC(=CC(=O)N)C Z33546934 [2,0,0,0,0,0|1,0,1]=4 152 B6R0.2 CC(=CC(=O)O)C Z104480144 [2,0,0,0,0,0|0,0,1]=3 153 B6R0.2 CC(=O)/C=C(/C)\N Z56858245 [2,0,0,0,0,0|2,0,0]=4 154 B6R0.2 CC(=O)NC(=O)N Z104476284 [2,0,0,0,0,0|2,0,0]=4 155 B6R0.2 NC(=O)CC(=O)O Z963467736 [2,0,0,0,0,0|1,0,1]=4 156 B6R0.2 O=C(O)C=C(Br)Br Z1416198234 [2,0,0,0,0,0|2,0,0]=4 157 B6R0.2 O=C(O)C=C(Cl)Cl Z1205493743 [2,0,0,0,0,0|2,0,0]=4 158 B6R0.2 O=C(O)CC(=O)O Z57965450 [2,0,0,0,0,0|1,0,1]=4 159 B6R0.4 CC/C=C/C(=O)O Z2311573931 [2,0,0,0,0,0|1,0,1]=4 160 B6R0.4 CS/C=C/C(=O)O Z1868430572 [2,0,0,0,0,0|2,0,0]=4 161 B6R0.4 O=C(O)/C=C/CO Z3178016098 [2,0,0,0,0,0|0,0,1]=3 162 B6R0.3 C=CC(N)C(=O)O Z3244810526 [2,0,0,0,0,0|1,0,1]=4 163 B6R0.3 CC(CO)C(=O)O Z431541400 [2,0,0,0,0,0|0,0,2]=4 164 B8R0.2 CC/C(=C(\C)/C(=O)O)/C Z1642058353 [1,1,0,0,0,0|1,0,1]=4 165 B8R0.2 O=C/C(=C(\Cl)/C(=O)O)/Cl Z147641078 [1,1,0,0,0,0|1,0,0]=3 166 B8R0.5 CCC/C(=C/C(=O)O)/C Z352746820 [1,1,0,0,0,0|1,0,1]=4 167 B8R0.5 COC/C(=C/C(=O)O)/C Z992443856 [1,1,0,0,0,0|0,0,1]=3 168 B8R0.16 CCC(=CC(=O)O)CC Z352746706 [1,1,0,0,0,0|1,0,1]=4 169 B8R0.9 COC(=O)/C=C/C(=O)O Z2315585555 [1,1,0,0,0,0|0,0,0]=2 170 B8R0.9 COC(=O)CCC(=O)O Z57663583 [1,1,0,0,0,0|0,0,2]=4 171 B8R0.9 COC(=O)NCC(=O)O Z111492620 [1,1,0,0,0,0|1,0,1]=4 172 B8R0.29 CS(=O)(=O)/C=C/C(=O)O Z1868430518 [1,1,0,0,0,0|1,0,1]=4 173 B8R0.27 CC(C(=O)O)S(=O)(=O)O Z1262510815 [0,1,0,0,1,0|1,0,1]=4 174 B8R0.37 CC(C)(C(=O)N)C(=O)O Z1198174895 [0,1,0,0,1,0|1,0,1]=4 175 B8R0.37 CC(N)(C(=O)O)C(=O)O Z4968335428 [0,1,0,0,1,0|0,0,1]=3 176 B10R0.43 CC(C)(CCC(=O)O)C(=O)O Z1255464958 [0,1,0,0,0,1|0,0,2]=4 177 B10R0.43 CC(C)(SCC(=O)O)C(=O)O Z1251354570 [0,1,0,0,0,1|0,0,2]=4 178 B10R0.82 C=C(CCC(=O)OC)C(=O)O Z1262513566 [0,1,0,0,0,1|0,0,2]=4 179 B10R0.93 C=C(CC(N)C(=O)O)C(=O)O Z3444602422 [0,1,0,0,0,1|0,0,2]=4 180 B10R0.93 CC(CC(C)C(=O)O)C(=O)O Z1255485193 [0,1,0,0,0,1|0,0,2]=4 181 B10R0.93 CC(NC(=O)C(=O)O)C(=O)O Z1262543836 [0,1,0,0,0,1|0,0,1]=3 182 B10R0.165 CC(C)(CC(=O)O)CC(=O)O Z104510054 [0,1,0,0,0,1|0,0,2]=4 183 B10R0.47 COC(=O)CC(C)(C)C(=O)O Z1255393158 [0,2,0,0,0,0|0,0,2]=4 184 B10R0.47 COC(=O)NC(C)(C)C(=O)O Z801822452 [0,2,0,0,0,0|1,0,1]=4 185 B10R0.119 CC(CN)(CC(=O)O)C(=O)O Z1262524919 [0,2,0,0,0,0|0,0,2]=4 186 B10R0.141 COC(=O)C(C)(C)CC(=O)O Z1198342215 [0,2,0,0,0,0|0,0,2]=4 187 B10R0.32 C=C(CC(=O)O)C(=O)OCC Z1262519977 [0,2,0,0,0,0|0,0,2]=4 188 B10R0.32 CCOC(=O)N(C)CC(=O)O Z64442393 [0,2,0,0,0,0|1,0,1]=4 189 B10R0.32 COCC(=O)N(C)CC(=O)O Z85895324 [0,2,0,0,0,0|1,0,1]=4 190 B10R0.46 COC(=O)/C=C(\I)/C(=O)OC Z57107759 [0,2,0,0,0,0|1,0,0]=3 191 B10R0.162 CC(C)/C(=C\C(=O)O)/C(=O)O Z1262511666 [0,2,0,0,0,0|0,0,0]=2 192 B10R0.162 CN(C)[C@H](CC(=O)O)C(=O)O Z1262526606 [0,2,0,0,0,0|0,0,2]=4 193 B10R0.26 COCC(=O)NC(C)C(=O)O Z85890361 [0,2,0,0,0,0|1,0,1]=4 194 B8R1.1 CC1=CC(=NO1)C=O Z1162446008 [1,0,0,1,0,0|2,0,0]=4 195 B8R1.1 O=C1C=C(CO1)CO Z1486015893 [1,0,0,1,0,0|0,0,1]=3 196 B8R1.4 CC1=CC(=CC=C1)O Z104473820 [1,0,0,1,0,0|2,0,0]=4 197 B8R1.4 CC1=CC(=NN=C1)O Z1198278270 [1,0,0,1,0,0|2,0,0]=4 198 B8R1.4 CC1=CC(=O)NC=C1 Z1065655286 [1,0,0,1,0,0|2,0,0]=4 199 B8R1.34 O=C(O)C=C1CCC1 Z1205494261 [1,0,0,1,0,0|1,0,1]=4 200 B8R1.43 O=C[C@@H]1C[C@H]1C(=O)O Z3664810585 [1,0,0,1,0,0|0,0,2]=4 201 B8R1.43 O=C[C@H]1C[C@H]1C(=O)O Z2944291920 [1,0,0,1,0,0|0,0,2]=4 202 B8R1.5 CC1=C(C=CC=C1)O Z104473822 [1,0,0,1,0,0|2,0,0]=4 203 B8R1.5 CC1=CC=CNC1=O Z1013766914 [1,0,0,1,0,0|2,0,0]=4 204 B8R1.5 CC1=CC=NNC1=O Z3227035121 [1,0,0,1,0,0|2,0,0]=4 205 B8R1.5 O=C1C=COC=C1O Z1198235068 [1,0,0,1,0,0|2,0,0]=4 206 B8R1.5 O=C1COC=CC1=S Z1513610972 [1,0,0,1,0,0|2,0,0]=4 207 B8R1.5 O=C1OC=CC=C1O Z1198156687 [1,0,0,1,0,0|2,0,0]=4 208 B8R1.7 CC(=O)C1=COC=C1 Z1137167495 [1,0,0,1,0,0|1,0,1]=4 209 B8R1.7 NC(=O)C1=COC=C1 Z168362720 [1,0,0,1,0,0|1,0,1]=4 210 B8R1.7 NC(=O)C1=NOC=C1 Z875021158 [1,0,0,1,0,0|2,0,0]=4 211 B8R1.7 O=C(O)C1=CC=CN1 Z94599900 [1,0,0,1,0,0|2,0,0]=4 212 B8R1.7 O=C(O)C1=CC=CO1 Z104473462 [1,0,0,1,0,0|2,0,0]=4 213 B8R1.7 O=C(O)C1=CC=NO1 Z56943419 [1,0,0,1,0,0|2,0,0]=4 214 B8R1.7 O=C(O)C1=CC=NS1 Z1079264356 [1,0,0,1,0,0|2,0,0]=4 215 B8R1.7 O=C(O)C1=CCCC1 Z1205493596 [1,0,0,1,0,0|1,0,1]=4 216 B8R1.7 O=C(O)C1=CNC=C1 Z1154253207 [1,0,0,1,0,0|1,0,1]=4 217 B8R1.7 O=C(O)C1=COC=C1 Z164706016 [1,0,0,1,0,0|0,0,1]=3 218 B8R1.7 O=C(O)C1=COC=N1 Z1095349994 [1,0,0,1,0,0|1,0,1]=4 219 B8R1.7 O=C(O)C1=COCC1 Z1013753090 [1,0,0,1,0,0|2,0,0]=4 220 B8R1.7 O=C(O)C1=CSC=C1 Z147647094 [1,0,0,1,0,0|0,1,1]=4 221 B8R1.7 O=C(O)C1=NNC=C1 Z381357668 [1,0,0,1,0,0|2,0,0]=4 222 B8R1.7 O=C(O)C1=NOC=C1 Z147642256 [1,0,0,1,0,0|1,0,0]=3 223 B8R1.7 O=C(O)C1=NON=C1 Z1201620383 [1,0,0,1,0,0|2,0,0]=4 224 B8R1.7 O=C(O)C1=NSC=C1 Z1198233153 [1,0,0,1,0,0|1,1,0]=4 225 B8R1.23 O=C1CC(C1)C(=O)O Z235344247 [1,0,0,1,0,0|0,0,2]=4 226 B8R1.3 O=C1C=CC(=O)C=C1 Z104474802 [1,0,0,1,0,0|2,0,0]=4 227 B8R1.3 O=C1C=CC(=O)NN1 Z57032544 [1,0,0,1,0,0|2,0,0]=4 228 B8R1.3 OC1=CC=C(C=C1)O Z57127551 [1,0,0,1,0,0|2,0,0]=4 229 B8R1.3 OC1=CN=C(C=C1)O Z1198152559 [1,0,0,1,0,0|2,0,0]=4 230 B8R1.50 CN1C(=O)COC1=O Z1618025816 [0,0,0,1,1,0|2,0,0]=4 231 B10R1.13 O=C(O)C1=CC=C(C=C1)O Z104498098 [0,0,0,1,0,1|1,0,1]=4 232 B10R1.13 O=C(O)C1=CN=C(C=C1)O Z104500708 [0,0,0,1,0,1|1,0,1]=4 233 B10R1.13 O=C1C=CC(=CO1)C(=O)O Z104472302 [0,0,0,1,0,1|0,0,1]=3 234 B10R1.13 O=C1C=CC(=NN1)C(=O)O Z56878668 [0,0,0,1,0,1|2,0,0]=4 235 B10R1.13 O=C1CCC(=NN1)C(=O)O Z56871458 [0,0,0,1,0,1|2,0,0]=4 236 B10R1.58 CC1=C(C=C(S1)C(=O)O)Br Z1263738666 [0,0,0,1,0,1|2,0,0]=4 237 B10R1.58 CC1=C(N=C(S1)C(=O)O)O Z1216838537 [0,0,0,1,0,1|1,0,0]=3 238 B10R1.58 CC1=C(NC(=C1)C(=O)O)C Z1198334173 [0,0,0,1,0,1|2,0,0]=4 239 B10R1.58 CC1=C(OC(=C1)C(=O)O)Br Z2732856968 [0,0,0,1,0,1|1,0,0]=3 240 B10R1.58 CC1=C(OC(=C1)C(=O)O)C Z1201618976 [0,0,0,1,0,1|1,0,0]=3 241 B10R1.58 CC1=C(SC(=C1)C(=O)O)Br Z1269169628 [0,0,0,1,0,1|1,1,0]=4 242 B10R1.58 CC1=C(SC(=C1)C(=O)O)C Z104492212 [0,0,0,1,0,1|1,1,0]=4 243 B10R1.58 CC1=C(SC(=C1)C(=O)O)Cl Z1198158702 [0,0,0,1,0,1|1,1,0]=4 244 B10R1.58 CN1C=C(NC1=O)C(=O)O Z1205495049 [0,0,0,1,0,1|2,0,0]=4 245 B10R1.58 CN1NC(=CC1=O)C(=O)O Z2236735605 [0,0,0,1,0,1|2,0,0]=4 246 B10R1.58 CN1OC(=CC1=O)C(=O)O Z1824003143 [0,0,0,1,0,1|2,0,0]=4 247 B10R1.54 CC1=CC(=NO1)CC(=O)O Z1194052187 [0,0,0,1,0,1|2,0,0]=4 248 B10R1.54 O=C(O)CC1COC(=O)C1 Z1205494290 [0,0,0,1,0,1|0,0,2]=4 249 B10R1.59 CC1=C(C=C(S1)Br)C(=O)O Z1267558920 [0,0,0,1,0,1|2,0,0]=4 250 B10R1.59 CC1=C(N=C(S1)Br)C(=O)O Z1269201664 [0,0,0,1,0,1|2,0,0]=4 251 B10R1.59 CC1=C(N=C(S1)Cl)C(=O)O Z1255493333 [0,0,0,1,0,1|2,0,0]=4 252 B10R1.59 CC1=C(N=C(S1)O)C(=O)O Z1495933763 [0,0,0,1,0,1|1,0,0]=3 253 B10R1.59 CC1=C(OC(=C1)Br)C(=O)O Z360059658 [0,0,0,1,0,1|1,0,0]=3 254 B10R1.59 CC1=C(SC(=C1)F)C(=O)O Z3055840367 [0,0,0,1,0,1|1,1,0]=4 255 B10R1.59 CC1=C(SC(=N1)Br)C(=O)O Z1269127046 [0,0,0,1,0,1|1,1,0]=4 256 B10R1.59 CC1=C(SC(=N1)Cl)C(=O)O Z1198163499 [0,0,0,1,0,1|1,1,0]=4 257 B10R1.59 CC1=CC(=C(N1)C)C(=O)O Z239549280 [0,0,0,1,0,1|2,0,0]=4 258 B10R1.59 CC1=CC(=C(O1)C(=O)O)C Z1198180768 [0,0,0,1,0,1|1,0,0]=3 259 B10R1.59 CC1=CC(=C(O1)C)C(=O)O Z56867309 [0,0,0,1,0,1|2,0,0]=4 260 B10R1.59 CC1=CC(=C(S1)C(=O)O)C Z1198163824 [0,0,0,1,0,1|1,1,0]=4 261 B10R1.59 CC1=CC(=C(S1)C)C(=O)O Z90121763 [0,0,0,1,0,1|2,0,0]=4 262 B10R1.59 CC1=NC(=C(N1)C)C(=O)O Z2230911407 [0,0,0,1,0,1|2,0,0]=4 263 B10R1.59 CC1=NC(=C(O1)C(=O)N)C Z1216817898 [0,0,0,1,0,1|2,0,0]=4 264 B10R1.59 CC1=NC(=C(O1)C(=O)O)C Z335442470 [0,0,0,1,0,1|1,0,0]=3 265 B10R1.59 CC1=NC(=C(O1)C)C(=O)O Z969117654 [0,0,0,1,0,1|2,0,0]=4 266 B10R1.59 CC1=NC(=C(S1)C(=O)O)C Z56347315 [0,0,0,1,0,1|1,1,0]=4 267 B10R1.59 CC1=NC(=C(S1)C)C(=O)O Z1198236098 [0,0,0,1,0,1|2,0,0]=4 268 B10R1.59 CN1N=C(C=C1C(=O)O)O Z1205496528 [0,0,0,1,0,1|2,0,0]=4 269 B10R1.282 C=C1[C@@H]([C@H]1C(=O)O)C(=O)O Z2306725862 [0,0,0,1,0,1|0,0,2]=4 270 B10R1.282 CC1[C@@H]([C@H]1C(=O)O)C(=O)O Z2311222768 [0,0,0,1,0,1|0,0,2]=4 271 B10R1.14 COC(=O)C1=CC(=NS1)O Z1198234407 [0,1,0,1,0,0|2,0,0]=4 272 B10R1.14 COC(=O)C1=CC(=O)NN1 Z2238508536 [0,1,0,1,0,0|2,0,0]=4 273 B10R1.14 COC(=O)C1=NOC(=C1)C Z17141189 [0,1,0,1,0,0|2,0,0]=4 274 B10R1.14 COC(=O)C1=NOC(=C1)N Z1862015833 [0,1,0,1,0,0|2,0,0]=4 275 B10R1.22 CC1=CC(=C(C(=O)O1)O)O Z4089903129 [0,1,0,1,0,0|2,0,0]=4 276 B10R1.25 CC1=C(C=CC(=C1)O)C=O Z1161074806 [0,1,0,1,0,0|2,0,0]=4 277 B10R1.25 CC1=C(C=NC(=C1)O)C=O Z1486001188 [0,1,0,1,0,0|2,0,0]=4 278 B10R1.64 O=C(O)CN1CCOC1=O Z323040332 [0,1,0,1,0,0|1,0,1]=4 279 B10R1.194 CC1=C(C(=CS1)C(=O)O)C Z275191052 [0,1,0,1,0,0|1,1,0]=4 280 B10R1.194 CC1=C(C(=NN1)C(=O)O)C Z1868430510 [0,1,0,1,0,0|2,0,0]=4 281 B10R1.194 CC1=C(C(=NO1)C(=O)O)I Z2044775958 [0,1,0,1,0,0|2,0,0]=4 282 B10R1.194 CC1=C(SC=C1C(=O)O)Br Z1450923281 [0,1,0,1,0,0|1,1,0]=4 283 B10R1.194 CC1=COC(=C1C)C(=O)O Z1205496460 [0,1,0,1,0,0|1,0,0]=3 284 B10R1.194 CC1=CSC(=C1C)C(=O)O Z1255497776 [0,1,0,1,0,0|1,1,0]=4 285 B10R1.194 CC1=NOC(=C1C)C(=O)O Z1198221230 [0,1,0,1,0,0|1,0,0]=3 286 B10R1.194 CN1C(=O)OCC1C(=O)O Z1813205659 [0,1,0,1,0,0|1,0,1]=4 287 B10R1.408 COC(=O)C1CC1C(=O)O Z1065630378 [0,1,0,1,0,0|0,0,2]=4 288 B10R1.30 CCC1=C(C=CC(=C1)O)O Z1255360449 [0,1,0,1,0,0|2,0,0]=4 289 B10R1.30 NCC1=C(C=CC(=C1)O)O Z2757657768 [0,1,0,1,0,0|2,0,0]=4 290 B10R1.113 O=C(O)C1=CC(=CC=C1)O Z56919254 [0,1,0,1,0,0|1,0,1]=4 291 B10R1.113 O=C(O)C1=CC(=CN=C1)O Z57124104 [0,1,0,1,0,0|1,0,1]=4 292 B10R1.113 O=C(O)C1=NC=CC(=C1)O Z385458378 [0,1,0,1,0,0|1,0,1]=4 293 B10R1.113 O=C1C=C(C=CN1)C(=O)O Z1416200909 [0,1,0,1,0,0|1,0,1]=4 294 B10R1.113 O=C1C=C(C=NN1)C(=O)O Z1198177386 [0,1,0,1,0,0|1,0,1]=4 295 B10R1.113 O=C1C=C(N=CN1)C(=O)O Z2689031648 [0,1,0,1,0,0|1,0,1]=4 296 B10R1.113 O=C1NC(CCO1)C(=O)O Z1509031012 [0,1,0,1,0,0|1,0,1]=4 297 B10R1.361 O=C(O)[C@@H]1CC[C@H]1C(=O)O Z2306736599 [0,1,0,1,0,0|0,0,2]=4 298 B10R1.31 CCC1=CC(=NO1)C(=O)O Z415731152 [0,1,0,1,0,0|2,0,0]=4 299 B10R1.31 COC1=CSC(=C1)C(=O)O Z335442452 [0,1,0,1,0,0|2,0,0]=4 300 B10R1.31 COC1=NSC(=C1)C(=O)O Z2301475282 [0,1,0,1,0,0|2,0,0]=4 301 B10R1.31 CSC1=CC(=CO1)C(=O)O Z2408373903 [0,1,0,1,0,0|0,1,1]=4 302 B10R1.31 NCC1=CC(=NO1)C(=O)O Z1272739867 [0,1,0,1,0,0|2,0,0]=4 303 B10R1.31 O=C(O)C1=COC(=C1)CO Z970074936 [0,1,0,1,0,0|0,0,2]=4 304 B10R1.31 O=C(O)C1=NNC(=C1)CO Z1205495512 [0,1,0,1,0,0|2,0,0]=4 305 B10R1.31 O=C(O)C1=NOC(=C1)CO Z815737212 [0,1,0,1,0,0|1,0,1]=4 306 B10R1.31 O=CC1=CC(=CN1)C(=O)O Z1203825503 [0,1,0,1,0,0|1,0,1]=4 307 B10R1.31 O=CC1=CC(=CO1)C(=O)O Z1197921203 [0,1,0,1,0,0|0,0,1]=3 308 B10R1.31 O=CC1=CC(=CS1)C(=O)O Z1198158838 [0,1,0,1,0,0|0,1,1]=4 309 B10R1.31 O=CC1=CNC(=C1)C(=O)O Z1190318813 [0,1,0,1,0,0|2,0,0]=4 310 B10R1.31 O=CC1=CSC(=C1)C(=O)O Z1262525684 [0,1,0,1,0,0|2,0,0]=4 311 B10R1.176 CC1=C(C=CC(=C1)C=O)O Z1082846778 [0,1,0,1,0,0|2,0,0]=4 312 B10R1.176 CC1=C(N=CC(=C1)C=O)O Z1415926172 [0,1,0,1,0,0|2,0,0]=4 313 B10R1.176 COC1=CC(=C(C=C1)O)C Z1198310476 [0,1,0,1,0,0|2,0,0]=4 314 B10R1.119 CC1=C(C(=O)C=CC1=O)C Z1198157405 [0,1,0,1,0,0|2,0,0]=4 315 B10R1.119 CC1=C(C(=O)NNC1=O)Br Z1650169342 [0,1,0,1,0,0|2,0,0]=4 316 B10R1.119 CC1=C(C(=O)NNC1=O)C Z1117897095 [0,1,0,1,0,0|2,0,0]=4 317 B8R0.28 O=C(O)CCCC(=O)O Z57127454 [1,0,0,0,0,1|0,0,2]=4 318 B8R0.28 O=C(O)CNCC(=O)O Z104476528 [1,0,0,0,0,1|0,0,2]=4 319 B8R0.28 O=C(O)COCC(=O)O Z57965384 [1,0,0,0,0,1|0,0,2]=4 320 B8R0.28 O=C(O)CSCC(=O)O Z104478584 [1,0,0,0,0,1|0,0,2]=4 321 B10R0.96 CC(CCC(=O)O)CC(=O)O Z104477714 [0,0,0,0,0,2|0,0,2]=4