0 B7R0.6 CC(=O)CCC(=O)O Z104477318 [0,0,0,0,0,0|1,0,2]=3 1 B7R0.6 CC(=O)NCC(=O)O Z85886676 [0,0,0,0,0,0|2,0,1]=3 2 B7R0.6 CC(O)CCC(=O)O Z838959470 [0,0,0,0,0,0|1,0,3]=4 3 B7R0.6 CS(=O)CCC(=O)O Z667974346 [0,0,0,0,0,0|2,0,2]=4 4 B7R0.6 N=C(N)NCC(=O)O Z586248684 [0,0,0,0,0,0|3,0,1]=4 5 B7R0.6 N=C(N)SCC(=O)O Z2944342055 [0,0,0,0,0,0|3,0,1]=4 6 B7R0.6 NC(=O)C#CC(=O)N Z1203578096 [0,0,0,0,0,0|2,0,2]=4 7 B7R0.6 NC(=O)NCC(=O)O Z57009586 [0,0,0,0,0,0|2,0,1]=3 8 B7R0.6 O=C(O)/C=C/C(=O)O Z57127460 [0,0,0,0,0,0|0,0,0]=0 9 B7R0.6 O=C(O)CCC(=O)O Z57127453 [0,0,0,0,0,0|0,0,2]=2 10 B7R0.6 O=C(O)CN[N+](=O)[O-] Z1198158238 [0,0,0,0,0,0|2,0,2]=4 11 B6R0.4 C=CCCC(=O)O Z995028722 [1,0,0,0,0,0|1,0,2]=4 12 B6R0.4 CC/C=C/C(=O)O Z2311573931 [1,0,0,0,0,0|1,0,1]=3 13 B6R0.4 CS/C=C/C(=O)O Z1868430572 [1,0,0,0,0,0|2,0,0]=3 14 B6R0.4 O=C(O)/C=C/CO Z3178016098 [1,0,0,0,0,0|0,0,1]=2 15 B6R0.4 O=C(O)C#CCO Z1198169479 [1,0,0,0,0,0|0,0,3]=4 16 B8R0.9 CCC(=O)CCC(=O)O Z838955680 [0,1,0,0,0,0|1,0,2]=4 17 B8R0.9 CCC(=O)NCC(=O)O Z85886715 [0,1,0,0,0,0|2,0,1]=4 18 B8R0.9 CNC(=O)CCC(=O)O Z429593572 [0,1,0,0,0,0|1,0,2]=4 19 B8R0.9 CNC(=O)NCC(=O)O Z223126780 [0,1,0,0,0,0|2,0,1]=4 20 B8R0.9 COC(=O)/C=C/C(=O)O Z2315585555 [0,1,0,0,0,0|0,0,0]=1 21 B8R0.9 COC(=O)CCC(=O)O Z57663583 [0,1,0,0,0,0|0,0,2]=3 22 B8R0.9 COC(=O)NCC(=O)O Z111492620 [0,1,0,0,0,0|1,0,1]=3 23 B8R0.9 NCC(=O)CCC(=O)O Z1741972992 [0,1,0,0,0,0|1,0,2]=4 24 B8R0.9 NCC(=O)NCC(=O)O Z56896934 [0,1,0,0,0,0|2,0,1]=4 25 B8R0.23 C/C(=C\C(=O)O)/C(=O)O Z104476308 [0,1,0,0,0,0|0,0,0]=1 26 B8R0.23 C=C(CC(=O)O)C(=O)O Z57127539 [0,1,0,0,0,0|0,0,1]=2 27 B8R0.23 CC(=O)N(C)CC(=O)O Z85895184 [0,1,0,0,0,0|2,0,1]=4 28 B8R0.23 CC(=O)NC(C)C(=O)O Z104483794 [0,1,0,0,0,0|2,0,1]=4 29 B8R0.23 CC(=O)N[C@@H](C)C(=O)O Z98655371 [0,1,0,0,0,0|2,0,1]=4 30 B8R0.23 CC(=O)N[C@H](C)C(=O)O Z829930658 [0,1,0,0,0,0|2,0,1]=4 31 B8R0.23 CC(CC(=O)N)C(=O)O Z1203581899 [0,1,0,0,0,0|1,0,2]=4 32 B8R0.23 CC(CC(=O)O)C(=O)N Z1203579878 [0,1,0,0,0,0|1,0,2]=4 33 B8R0.23 CC(NC(=O)N)C(=O)O Z56858169 [0,1,0,0,0,0|2,0,1]=4 34 B8R0.23 CN(CC(=O)O)C(=O)N Z126513734 [0,1,0,0,0,0|2,0,1]=4 35 B8R0.23 NC(=O)CC(N)C(=O)O Z104481196 [0,1,0,0,0,0|1,0,2]=4 36 B8R0.23 NC(=O)C[C@@H](N)C(=O)O Z1147451758 [0,1,0,0,0,0|1,0,2]=4 37 B8R0.23 NC(=O)C[C@H](N)C(=O)O Z1066276474 [0,1,0,0,0,0|1,0,2]=4 38 B8R0.23 NC(=O)[C@@H](N)CC(=O)O Z1198149443 [0,1,0,0,0,0|1,0,2]=4 39 B8R0.23 NC(CC(=O)O)C(=O)O Z104474760 [0,1,0,0,0,0|0,0,2]=3 40 B8R0.23 N[C@@H](CC(=O)O)C(=O)O Z995084132 [0,1,0,0,0,0|0,0,2]=3 41 B8R0.23 N[C@H](CC(=O)O)C(=O)O Z1079451886 [0,1,0,0,0,0|0,0,2]=3 42 B8R0.23 O=C(O)/C=C(\I)/C(=O)O Z540727104 [0,1,0,0,0,0|0,0,0]=1 43 B8R0.23 O=C(O)CC(=O)C(=O)O Z271128590 [0,1,0,0,0,0|0,0,1]=2 44 B8R0.23 O=C(O)CC(O)C(=O)O Z104473230 [0,1,0,0,0,0|0,0,2]=3 45 B8R0.23 O=C(O)CC(S)C(=O)O Z104478826 [0,1,0,0,0,0|0,0,2]=3 46 B8R0.23 O=C(O)C[C@@H](O)C(=O)O Z1205493568 [0,1,0,0,0,0|0,0,2]=3 47 B8R0.23 O=C(O)C[C@H](O)C(=O)O Z1201618618 [0,1,0,0,0,0|0,0,2]=3 48 B8R0.29 CS(=O)(=O)/C=C/C(=O)O Z1868430518 [0,1,0,0,0,0|1,0,1]=3 49 B8R1.3 CC1=CC=C(C=C1)O Z104473818 [0,0,0,1,0,0|3,0,0]=4 50 B8R1.3 CC1=CN=C(C=C1)O Z1255523405 [0,0,0,1,0,0|3,0,0]=4 51 B8R1.3 CC1=NC=C(C=C1)O Z838078132 [0,0,0,1,0,0|3,0,0]=4 52 B8R1.3 CC1=NNC(=O)C=C1 Z1201023044 [0,0,0,1,0,0|3,0,0]=4 53 B8R1.3 NC1=CC=C(C=C1)O Z57127517 [0,0,0,1,0,0|3,0,0]=4 54 B8R1.3 NC1=CN=C(C=C1)O Z385458150 [0,0,0,1,0,0|3,0,0]=4 55 B8R1.3 NC1=NNC(=O)C=C1 Z1723418911 [0,0,0,1,0,0|3,0,0]=4 56 B8R1.3 O=C1C=CC(=CN1)Br Z271004874 [0,0,0,1,0,0|3,0,0]=4 57 B8R1.3 O=C1C=CC(=O)C=C1 Z104474802 [0,0,0,1,0,0|2,0,0]=3 58 B8R1.3 O=C1C=CC(=O)NN1 Z57032544 [0,0,0,1,0,0|2,0,0]=3 59 B8R1.3 O=C1COC(=O)CO1 Z1201618919 [0,0,0,1,0,0|2,0,1]=4 60 B8R1.3 OC1=CC=C(C=C1)Br Z57127362 [0,0,0,1,0,0|3,0,0]=4 61 B8R1.3 OC1=CC=C(C=C1)Cl Z104473434 [0,0,0,1,0,0|3,0,0]=4 62 B8R1.3 OC1=CC=C(C=C1)I Z104496300 [0,0,0,1,0,0|3,0,0]=4 63 B8R1.3 OC1=CC=C(C=C1)O Z57127551 [0,0,0,1,0,0|2,0,0]=3 64 B8R1.3 OC1=CN=C(C=C1)Br Z1201622821 [0,0,0,1,0,0|3,0,0]=4 65 B8R1.3 OC1=CN=C(C=C1)I Z1269183606 [0,0,0,1,0,0|3,0,0]=4 66 B8R1.3 OC1=CN=C(C=C1)O Z1198152559 [0,0,0,1,0,0|2,0,0]=3 67 B8R1.3 OC1=NC=C(C=C1)Cl Z2235409237 [0,0,0,1,0,0|3,0,0]=4 68 B8R1.3 OC1=NC=C(C=C1)F Z594267896 [0,0,0,1,0,0|3,0,0]=4 69 B8R1.3 OC1=NC=C(C=C1)I Z1269227573 [0,0,0,1,0,0|3,0,0]=4 70 B8R1.23 O=C1CC(C1)C(=O)O Z235344247 [0,0,0,1,0,0|1,0,2]=4 71 B6R0.2 C/C(=C/C(=O)O)/I Z1508917269 [0,0,0,0,1,0|2,0,0]=3 72 B6R0.2 C=C(C)CC(=O)O Z295890066 [0,0,0,0,1,0|2,0,1]=4 73 B6R0.2 CC(=CC(=O)N)C Z33546934 [0,0,0,0,1,0|3,0,0]=4 74 B6R0.2 CC(=CC(=O)O)C Z104480144 [0,0,0,0,1,0|2,0,0]=3 75 B6R0.2 CC(=O)/C=C(/C)\N Z56858245 [0,0,0,0,1,0|3,0,0]=4 76 B6R0.2 CC(=O)NC(=O)N Z104476284 [0,0,0,0,1,0|3,0,0]=4 77 B6R0.2 NC(=O)CC(=O)N Z104473780 [0,0,0,0,1,0|2,0,1]=4 78 B6R0.2 NC(=O)CC(=O)O Z963467736 [0,0,0,0,1,0|1,0,1]=3 79 B6R0.2 NC(=O)NC(=O)N Z57206006 [0,0,0,0,1,0|3,0,0]=4 80 B6R0.2 O=C(O)C=C(Br)Br Z1416198234 [0,0,0,0,1,0|2,0,0]=3 81 B6R0.2 O=C(O)C=C(Cl)Cl Z1205493743 [0,0,0,0,1,0|2,0,0]=3 82 B6R0.2 O=C(O)CC(=O)O Z57965450 [0,0,0,0,1,0|0,0,1]=2 83 B8R0.28 CC(=CCCC(=O)O)C Z1198162635 [0,0,0,0,0,1|2,0,1]=4 84 B8R0.28 CC(=O)CCCC(=O)O Z147652222 [0,0,0,0,0,1|1,0,2]=4 85 B8R0.28 CC(=O)NCCC(=O)O Z56886421 [0,0,0,0,0,1|1,0,2]=4 86 B8R0.28 CC(=O)OCCC(=O)O Z216124300 [0,0,0,0,0,1|1,0,2]=4 87 B8R0.28 NC(=O)CCCC(=O)O Z336080698 [0,0,0,0,0,1|1,0,2]=4 88 B8R0.28 NC(=O)CNCC(=O)O Z4658099947 [0,0,0,0,0,1|1,0,2]=4 89 B8R0.28 NC(=O)CSCC(=O)O Z19691778 [0,0,0,0,0,1|1,0,2]=4 90 B8R0.28 NC(=O)NCCC(=O)O Z56347556 [0,0,0,0,0,1|1,0,2]=4 91 B8R0.28 O=C(O)CCCC(=O)O Z57127454 [0,0,0,0,0,1|0,0,2]=3 92 B8R0.28 O=C(O)CNCC(=O)O Z104476528 [0,0,0,0,0,1|0,0,2]=3 93 B8R0.28 O=C(O)COCC(=O)O Z57965384 [0,0,0,0,0,1|0,0,2]=3 94 B8R0.28 O=C(O)CSCC(=O)O Z104478584 [0,0,0,0,0,1|0,0,2]=3 95 B5R0.1 C/C=C/C(=O)O Z104476026 [2,0,0,0,0,0|0,0,1]=3 96 B5R0.1 O=C(O)/C=C/I Z2327124440 [2,0,0,0,0,0|1,0,0]=3 97 B5R0.1 O=C(O)CNO Z1205493750 [2,0,0,0,0,0|1,0,1]=4 98 B5R0.2 OC/C=C/CO Z237581088 [2,0,0,0,0,0|0,0,2]=4 99 B7R0.2 CC/C(=C/C(=O)O)/C Z2583321519 [1,1,0,0,0,0|1,0,1]=4 100 B7R0.4 C/C=C/C=C/C(=O)O Z57127888 [1,1,0,0,0,0|1,0,0]=3 101 B7R0.4 CCC/C=C/C(=O)O Z104506794 [1,1,0,0,0,0|1,0,1]=4 102 B7R0.5 C/C=C/C(O)C(=O)O Z2515207189 [1,1,0,0,0,0|1,0,1]=4 103 B7R0.5 CC(NC=O)C(=O)O Z56757230 [1,1,0,0,0,0|1,0,1]=4 104 B7R0.9 O=C(O)CP(=O)(O)O Z277558864 [0,1,0,0,1,0|1,0,1]=4 105 B7R0.16 CC(=C(F)C(=O)O)C Z1205494362 [0,1,0,0,1,0|2,0,0]=4 106 B7R0.16 CC(=C(F)F)C(=O)O Z1205497572 [0,1,0,0,1,0|2,0,0]=4 107 B7R0.16 CC(C(=O)O)C(=O)O Z787653408 [0,1,0,0,1,0|0,0,1]=3 108 B7R0.16 O=C(O)C(O)C(=O)O Z90123595 [0,1,0,0,1,0|0,0,1]=3 109 B9R0.1 COC(=O)CCCC(=O)O Z203045008 [0,1,0,0,0,1|0,0,2]=4 110 B9R0.1 COC(=O)CSCC(=O)O Z65933549 [0,1,0,0,0,1|0,0,2]=4 111 B9R0.1 COC(=O)NCCC(=O)O Z192954732 [0,1,0,0,0,1|0,0,2]=4 112 B9R0.1 O=C(O)CCNC(=O)CO Z1203746027 [0,1,0,0,0,1|0,0,2]=4 113 B9R0.7 NC(CCC(=O)O)C(=O)O Z57127545 [0,1,0,0,0,1|0,0,2]=4 114 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O Z756440052 [0,1,0,0,0,1|0,0,2]=4 115 B9R0.7 N[C@H](CCC(=O)O)C(=O)O Z1741982700 [0,1,0,0,0,1|0,0,2]=4 116 B9R0.7 O=C(O)CCC(=O)C(=O)O Z57127547 [0,1,0,0,0,1|0,0,1]=3 117 B9R0.53 C/C(=C\C(=O)O)/CC(=O)O Z1198157053 [0,1,0,0,0,1|0,0,0]=2 118 B9R0.53 CC(CC(=O)O)CC(=O)O Z1041180516 [0,1,0,0,0,1|0,0,2]=4 119 B9R0.53 CN(CC(=O)O)CC(=O)O Z119894774 [0,1,0,0,0,1|0,0,2]=4 120 B9R0.53 O=C(O)CC(O)CC(=O)O Z1198167174 [0,1,0,0,0,1|0,0,2]=4 121 B9R0.23 COC(=O)C(=O)CC(=O)C Z111869226 [0,2,0,0,0,0|1,0,1]=4 122 B9R0.23 COC(=O)C(C)CC(=O)O Z1365493289 [0,2,0,0,0,0|0,0,2]=4 123 B9R0.23 COC(=O)N(C)CC(=O)O Z319610256 [0,2,0,0,0,0|1,0,1]=4 124 B9R0.24 COC(=O)/C=C/C(=O)OC Z49500377 [0,2,0,0,0,0|0,0,0]=2 125 B9R0.24 COC(=O)C#CC(=O)OC Z104473200 [0,2,0,0,0,0|0,0,2]=4 126 B9R0.42 C=C(CC(=O)OC)C(=O)O Z1201617378 [0,2,0,0,0,0|0,0,1]=3 127 B9R0.42 COC(=O)/C=C(\N)/C(=O)N Z87002018 [0,2,0,0,0,0|1,0,0]=3 128 B9R0.42 COC(=O)C[C@H](N)C(=O)O Z1079458540 [0,2,0,0,0,0|0,0,2]=4 129 B9R0.48 CCOC(=O)/C=C/C(=O)O Z2315575179 [0,2,0,0,0,0|0,0,0]=2 130 B9R0.48 CCOC(=O)CCC(=O)O Z56896764 [0,2,0,0,0,0|0,0,2]=4 131 B9R0.48 CCOC(=O)NCC(=O)O Z64434253 [0,2,0,0,0,0|1,0,1]=4 132 B9R0.10 C/C(=C\C(=O)O)/P(=O)(O)O Z1262523268 [0,2,0,0,0,0|1,0,0]=3 133 B9R0.11 CC(O)(CC(=O)O)C(=O)O Z1255442426 [0,2,0,0,0,0|0,0,2]=4 134 B9R0.39 CCC(CC(=O)O)C(=O)O Z1205493643 [0,2,0,0,0,0|0,0,2]=4 135 B9R0.39 NCC(CC(=O)O)C(=O)O Z1532540523 [0,2,0,0,0,0|0,0,2]=4 136 B9R0.57 C=C(OP(=O)([O-])O)C(=O)O Z2429425999 [0,2,0,0,0,0|2,0,0]=4 137 B9R0.79 C/C(=C(/C)\C(=O)O)/C(=O)O Z2607361494 [0,2,0,0,0,0|0,0,0]=2 138 B9R0.79 CC(C(=O)O)C(C)C(=O)O Z1205493640 [0,2,0,0,0,0|0,0,2]=4 139 B9R0.79 O=C(O)C(O)C(O)C(=O)O Z104473036 [0,2,0,0,0,0|0,0,2]=4 140 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O Z1147451575 [0,2,0,0,0,0|0,0,2]=4 141 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O Z1147451717 [0,2,0,0,0,0|0,0,2]=4 142 B9R0.79 O=C(O)[C@H](S)[C@H](S)C(=O)O Z1255431202 [0,2,0,0,0,0|0,0,2]=4 143 B7R1.2 O=C1C=CC(=O)C1 Z1083219844 [1,0,0,1,0,0|1,0,0]=3 144 B7R1.2 O=C1C=CC(=O)N1 Z223655288 [1,0,0,1,0,0|1,0,0]=3 145 B7R1.2 O=C1CCC(=O)O1 Z57127506 [1,0,0,1,0,0|0,0,2]=4 146 B7R1.3 O=C1C=CC=CN1 Z1245646663 [1,0,0,1,0,0|2,0,0]=4 147 B7R1.3 O=C1C=CC=NN1 Z803153778 [1,0,0,1,0,0|2,0,0]=4 148 B7R1.3 O=C1C=CCCO1 Z1255402681 [1,0,0,1,0,0|1,0,1]=4 149 B7R1.3 OC1=CC=CC=C1 Z104473830 [1,0,0,1,0,0|2,0,0]=4 150 B7R1.3 OC1=CN=CC=C1 Z104476790 [1,0,0,1,0,0|2,0,0]=4 151 B9R1.35 CC(=O)C1=CC=C(O1)Br Z147641060 [0,0,0,1,0,1|2,0,0]=4 152 B9R1.35 CC(=O)C1=CC=C(O1)C Z94598638 [0,0,0,1,0,1|2,0,0]=4 153 B9R1.35 CC(=O)C1=CN=C(O1)N Z1198261606 [0,0,0,1,0,1|2,0,0]=4 154 B9R1.35 CC1=CC(=CN1)C(=O)O Z1198267230 [0,0,0,1,0,1|2,0,0]=4 155 B9R1.35 CC1=CC(=CO1)C(=O)O Z1205493994 [0,0,0,1,0,1|2,0,0]=4 156 B9R1.35 CC1=CC(=CS1)C(=O)O Z979749380 [0,0,0,1,0,1|2,0,0]=4 157 B9R1.35 CC1=CC=C(O1)C(=O)N Z33547151 [0,0,0,1,0,1|2,0,0]=4 158 B9R1.35 CC1=CC=C(O1)C(=O)O Z56895714 [0,0,0,1,0,1|1,0,0]=3 159 B9R1.35 CC1=CC=C(S1)C(=O)O Z104494884 [0,0,0,1,0,1|1,1,0]=4 160 B9R1.35 CC1=CNC(=C1)C(=O)O Z1201622537 [0,0,0,1,0,1|2,0,0]=4 161 B9R1.35 CC1=CNC(=N1)C(=O)O Z2265206911 [0,0,0,1,0,1|2,0,0]=4 162 B9R1.35 CC1=COC(=C1)C(=O)O Z1205494707 [0,0,0,1,0,1|2,0,0]=4 163 B9R1.35 CC1=CSC(=C1)C(=O)O Z1203160201 [0,0,0,1,0,1|2,0,0]=4 164 B9R1.35 CC1=NC(=CN1)C(=O)O Z969202142 [0,0,0,1,0,1|2,0,0]=4 165 B9R1.35 CC1=NC(=CS1)C(=O)O Z381356522 [0,0,0,1,0,1|2,0,0]=4 166 B9R1.35 CC1=NC=C(S1)C(=O)O Z385373334 [0,0,0,1,0,1|1,1,0]=4 167 B9R1.35 NC(=O)C1=CC=C(O1)Br Z33546653 [0,0,0,1,0,1|2,0,0]=4 168 B9R1.35 NC1=NC(=CS1)C(=O)O Z337709420 [0,0,0,1,0,1|2,0,0]=4 169 B9R1.35 NC1=NC=C(O1)C(=O)O Z1198322955 [0,0,0,1,0,1|1,0,0]=3 170 B9R1.35 O=C(O)C1=CC(=CN1)Cl Z104341138 [0,0,0,1,0,1|2,0,0]=4 171 B9R1.35 O=C(O)C1=CC(=CN1)I Z1183442837 [0,0,0,1,0,1|2,0,0]=4 172 B9R1.35 O=C(O)C1=CC(=CO1)Br Z1198150497 [0,0,0,1,0,1|2,0,0]=4 173 B9R1.35 O=C(O)C1=CC(=CS1)Br Z275128148 [0,0,0,1,0,1|2,0,0]=4 174 B9R1.35 O=C(O)C1=CC(=CS1)F Z1198275133 [0,0,0,1,0,1|2,0,0]=4 175 B9R1.35 O=C(O)C1=CC(=CS1)O Z1157742699 [0,0,0,1,0,1|1,0,0]=3 176 B9R1.35 O=C(O)C1=CC(=NO1)O Z1198180707 [0,0,0,1,0,1|2,0,0]=4 177 B9R1.35 O=C(O)C1=CC=C(N1)Cl Z1205496495 [0,0,0,1,0,1|2,0,0]=4 178 B9R1.35 O=C(O)C1=CC=C(O1)Br Z57233752 [0,0,0,1,0,1|1,0,0]=3 179 B9R1.35 O=C(O)C1=CC=C(O1)Cl Z119989852 [0,0,0,1,0,1|1,0,0]=3 180 B9R1.35 O=C(O)C1=CC=C(O1)F Z1509050307 [0,0,0,1,0,1|1,0,0]=3 181 B9R1.35 O=C(O)C1=CC=C(S1)Br Z56946865 [0,0,0,1,0,1|1,1,0]=4 182 B9R1.35 O=C(O)C1=CC=C(S1)Cl Z56346822 [0,0,0,1,0,1|1,1,0]=4 183 B9R1.35 O=C(O)C1=CC=C(S1)F Z1198175121 [0,0,0,1,0,1|1,1,0]=4 184 B9R1.35 O=C(O)C1=CC=C(S1)I Z1269191681 [0,0,0,1,0,1|1,1,0]=4 185 B9R1.35 O=C(O)C1=CN=C(S1)Br Z1269156140 [0,0,0,1,0,1|1,1,0]=4 186 B9R1.35 O=C(O)C1=CNC(=C1)Br Z1171220840 [0,0,0,1,0,1|2,0,0]=4 187 B9R1.35 O=C(O)C1=CNC(=N1)S Z274566848 [0,0,0,1,0,1|1,1,0]=4 188 B9R1.35 O=C(O)C1=COC(=C1)Br Z255102436 [0,0,0,1,0,1|2,0,0]=4 189 B9R1.35 O=C(O)C1=COC(=C1)Cl Z1255365854 [0,0,0,1,0,1|2,0,0]=4 190 B9R1.35 O=C(O)C1=COC(=N1)Cl Z1198305489 [0,0,0,1,0,1|2,0,0]=4 191 B9R1.35 O=C(O)C1=CSC(=C1)Br Z234969399 [0,0,0,1,0,1|2,0,0]=4 192 B9R1.35 O=C(O)C1=CSC(=C1)Cl Z1198150257 [0,0,0,1,0,1|2,0,0]=4 193 B9R1.35 O=C(O)C1=CSC(=C1)I Z952016278 [0,0,0,1,0,1|2,0,0]=4 194 B9R1.35 O=C(O)C1=CSC(=N1)Cl Z1201625300 [0,0,0,1,0,1|2,0,0]=4 195 B9R1.35 O=C(O)C1=CSC(=N1)S Z1262515699 [0,0,0,1,0,1|1,1,0]=4 196 B9R1.35 O=C(O)C1=NC(=CS1)Br Z1258597092 [0,0,0,1,0,1|2,0,0]=4 197 B9R1.35 O=C1CC(=NN1)C(=O)O Z815290366 [0,0,0,1,0,1|2,0,0]=4 198 B9R1.35 O=C1CCC(O1)C(=O)O Z1198149867 [0,0,0,1,0,1|0,0,2]=4 199 B9R1.35 O=C1NC(=CS1)C(=O)O Z1205494720 [0,0,0,1,0,1|1,0,0]=3 200 B9R1.35 O=C1NC=C(N1)C(=O)O Z56921827 [0,0,0,1,0,1|1,0,0]=3 201 B9R1.35 O=C1NCC(O1)C(=O)O Z1203735066 [0,0,0,1,0,1|0,0,2]=4 202 B9R1.35 O=C1OCC(O1)C(=O)O Z1889707900 [0,0,0,1,0,1|0,0,2]=4 203 B9R1.161 O=C(O)[C@@H]1C[C@H]1C(=O)O Z1198723936 [0,0,0,1,0,1|0,0,2]=4 204 B9R1.161 O=C(O)[C@H]1C[C@H]1C(=O)O Z1955918485 [0,0,0,1,0,1|0,0,2]=4 205 B9R1.1 COC1=CC=C(C=C1)O Z104474598 [0,1,0,1,0,0|2,0,0]=4 206 B9R1.1 COC1=NC=C(C=C1)O Z1201623942 [0,1,0,1,0,0|2,0,0]=4 207 B9R1.1 COC1=NNC(=O)C=C1 Z1255391084 [0,1,0,1,0,0|2,0,0]=4 208 B9R1.1 O=CC1=CC=C(C=C1)O Z57127520 [0,1,0,1,0,0|2,0,0]=4 209 B9R1.1 O=CC1=CN=C(C=C1)O Z1741969170 [0,1,0,1,0,0|2,0,0]=4 210 B9R1.1 O=CC1=NC=C(C=C1)O Z1741979912 [0,1,0,1,0,0|2,0,0]=4 211 B9R1.1 OCC1=NC=C(C=C1)O Z1217915045 [0,1,0,1,0,0|2,0,0]=4 212 B9R1.69 CC1=C(N=NC(=C1)O)O Z2379087837 [0,1,0,1,0,0|2,0,0]=4 213 B9R1.69 CC1=CC(=O)C(=CO1)O Z1198164652 [0,1,0,1,0,0|2,0,0]=4 214 B9R1.69 CC1=CC(=O)C=CC1=O Z57248271 [0,1,0,1,0,0|2,0,0]=4 215 B9R1.69 NC1=C(C=C(C=C1)O)O Z1741980625 [0,1,0,1,0,0|2,0,0]=4 216 B9R1.69 OC1=CC(=C(C=C1)O)O Z1255438414 [0,1,0,1,0,0|1,0,1]=4 217 B9R1.69 OC1=NN=C(C(=C1)Br)O Z1198655184 [0,1,0,1,0,0|2,0,0]=4 218 B5R0.5 C=C(Cl)C(=O)O Z1201617183 [0,0,0,0,2,0|2,0,0]=4 219 B5R0.5 CC(=O)C(=O)O Z104495240 [0,0,0,0,2,0|1,0,0]=3 220 B5R0.5 O=C(O)C(=O)O Z1741978903 [0,0,0,0,2,0|0,0,0]=2 221 B9R0.55 O=C(O)CCCCC(=O)O Z57127533 [0,0,0,0,0,2|0,0,2]=4