0 B8R0.27 CC(C(=O)O)C(C)(C)C Z792377250 [0,0,0,0,0,0|2,0,0]=2 1 B8R0.27 CC(C(=O)O)C(C)(F)F Z2216264420 [0,0,0,0,0,0|3,0,0]=3 2 B8R0.27 CC(C(=O)O)C(F)(F)F Z1205494054 [0,0,0,0,0,0|4,0,0]=4 3 B8R0.27 CC(C(=O)O)S(=O)(=O)C Z295403352 [0,0,0,0,0,0|3,1,0]=4 4 B8R0.27 CC(C)(C)C(=O)C(=O)O Z1187714783 [0,0,0,0,0,0|2,0,1]=3 5 B8R0.27 CC(C)(C)C(N)C(=O)O Z217166134 [0,0,0,0,0,0|1,0,0]=1 6 B8R0.27 CC(C)(C)C(O)C(=O)O Z803056544 [0,0,0,0,0,0|2,0,0]=2 7 B8R0.27 CC(C)(C)[C@H](N)C(=O)N Z1274177433 [0,0,0,0,0,0|2,0,0]=2 8 B8R0.27 CC(C)(C)[C@H](N)C(=O)O Z425412414 [0,0,0,0,0,0|1,0,0]=1 9 B8R0.27 CC(C)(O)C(O)C(=O)O Z1205493888 [0,0,0,0,0,0|1,1,0]=2 10 B8R0.27 CC(C)(O)[C@@H](O)C(=O)O Z1205494143 [0,0,0,0,0,0|1,1,0]=2 11 B8R0.27 CC(C)(S)C(N)C(=O)O Z203244248 [0,0,0,0,0,0|0,0,0]=0 12 B8R0.27 CC(C)(S)[C@@H](N)C(=O)O Z234896485 [0,0,0,0,0,0|0,0,0]=0 13 B8R0.27 CC(C)(S)[C@H](N)C(=O)O Z359371356 [0,0,0,0,0,0|0,0,0]=0 14 B8R0.27 CP(=O)(C)C(O)C(=O)O Z1262512998 [0,0,0,0,0,0|2,1,0]=3 15 B8R0.27 NC(=O)C(N)C(F)(F)F Z2171028120 [0,0,0,0,0,0|4,0,0]=4 16 B8R0.27 NC(C(=O)O)C(F)(F)F Z1837073442 [0,0,0,0,0,0|3,0,0]=3 17 B8R0.27 O=C(O)C(O)C(F)(F)F Z3225872563 [0,0,0,0,0,0|4,0,0]=4 18 B7R0.9 CC(=O)CC(C)(C)C Z1171198845 [1,0,0,0,0,0|2,0,0]=3 19 B7R0.9 CC(C)(Br)CC(=O)O Z1262512457 [1,0,0,0,0,0|1,0,0]=2 20 B7R0.9 CC(C)(C)CC(=O)N Z278515142 [1,0,0,0,0,0|2,0,0]=3 21 B7R0.9 CC(C)(C)CC(=O)O Z104478420 [1,0,0,0,0,0|1,0,0]=2 22 B7R0.9 CC(C)(N)CC(=O)N Z1459435491 [1,0,0,0,0,0|2,0,0]=3 23 B7R0.9 CC(C)(N)CC(=O)O Z1255523279 [1,0,0,0,0,0|1,0,0]=2 24 B7R0.9 CC(C)(O)CC(=N)N Z3804955217 [1,0,0,0,0,0|2,1,0]=4 25 B7R0.9 CC(C)(O)CC(=O)O Z982131798 [1,0,0,0,0,0|0,1,0]=2 26 B7R0.9 CC(F)(F)CC(=O)O Z1205496030 [1,0,0,0,0,0|2,0,0]=3 27 B7R0.9 CC(O)CC(C)(C)O Z1255485267 [1,0,0,0,0,0|1,1,1]=4 28 B7R0.9 CS(=O)(=O)CC(=O)O Z295402410 [1,0,0,0,0,0|2,1,0]=4 29 B7R0.9 C[N+](C)(C)CC(=O)[O-] Z2289798098 [1,0,0,0,0,0|2,0,1]=4 30 B7R0.9 C[N+](C)(N)CC(=O)[O-] Z56832246 [1,0,0,0,0,0|2,0,1]=4 31 B7R0.14 C#CC(N)C(C)(C)C Z2082999410 [1,0,0,0,0,0|2,0,1]=4 32 B7R0.14 C=CC(O)C(C)(C)C Z1262397707 [1,0,0,0,0,0|3,0,0]=4 33 B7R0.14 CC(C)(C)/C(=N/O)/N Z278180212 [1,0,0,0,0,0|2,0,1]=4 34 B7R0.14 CC(C)(C)C(N)C#N Z803055956 [1,0,0,0,0,0|2,0,1]=4 35 B7R0.14 CC(C)(C)C(N)CN Z1992316411 [1,0,0,0,0,0|2,0,1]=4 36 B7R0.14 CC(C)(C)C(N)CO Z2004547930 [1,0,0,0,0,0|1,0,1]=3 37 B7R0.14 CCC(N)C(C)(C)O Z2216302967 [1,0,0,0,0,0|1,1,1]=4 38 B7R0.16 CC(=C(F)C(=O)O)C Z1205494362 [1,0,0,0,0,0|1,0,2]=4 39 B7R0.16 CC(=O)C(N)C(=O)C Z360059858 [1,0,0,0,0,0|1,1,1]=4 40 B7R0.16 CC(C(=O)N)N(C)C Z4968292210 [1,0,0,0,0,0|3,0,0]=4 41 B7R0.16 CC(C)C(Br)C(=O)O Z203888738 [1,0,0,0,0,0|1,0,0]=2 42 B7R0.16 CC(C)C(C)C(=O)O Z756391682 [1,0,0,0,0,0|1,0,0]=2 43 B7R0.16 CC(C)C(Cl)C(=O)O Z336080700 [1,0,0,0,0,0|1,0,0]=2 44 B7R0.16 CC(C)C(N)C(=O)N Z1266823200 [1,0,0,0,0,0|1,0,0]=2 45 B7R0.16 CC(C)C(N)C(=O)O Z57127382 [1,0,0,0,0,0|0,0,0]=1 46 B7R0.16 CC(C)C(S)C(=O)O Z808230896 [1,0,0,0,0,0|1,0,0]=2 47 B7R0.16 CC(C)[C@@H](N)C(=O)N Z1198153018 [1,0,0,0,0,0|1,0,0]=2 48 B7R0.16 CC(C)[C@@H](N)C(=O)O Z813018028 [1,0,0,0,0,0|0,0,0]=1 49 B7R0.16 CC(C)[C@H](N)C(=O)O Z756430564 [1,0,0,0,0,0|0,0,0]=1 50 B7R0.16 CC(N)C(C)C(=O)O Z1198162847 [1,0,0,0,0,0|2,0,0]=3 51 B7R0.16 CC(O)C(C)C(=O)O Z982137146 [1,0,0,0,0,0|1,1,0]=3 52 B7R0.16 C[C@@H](C(=O)O)N(C)C Z1350606494 [1,0,0,0,0,0|2,0,0]=3 53 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O Z1201618669 [1,0,0,0,0,0|0,1,0]=2 54 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O Z813019058 [1,0,0,0,0,0|0,1,0]=2 55 B7R0.16 C[C@H](C(=O)O)N(C)C Z1205493968 [1,0,0,0,0,0|2,0,0]=3 56 B7R0.16 C[C@H](O)[C@H](N)C(=O)O Z1162448524 [1,0,0,0,0,0|0,1,0]=2 57 B9R0.25 CNC(=O)C(N)C(C)(C)C Z1486405887 [0,1,0,0,0,0|2,0,0]=3 58 B9R0.25 COC(=O)C(N)C(C)(C)C Z2736427680 [0,1,0,0,0,0|1,0,0]=2 59 B9R0.25 COC(=O)C(N)C(F)(F)F Z1201624681 [0,1,0,0,0,0|3,0,0]=4 60 B9R0.25 COC(=O)C(O)C(C)(C)C Z965047812 [0,1,0,0,0,0|2,0,0]=3 61 B9R0.25 COC(=O)[C@@H](N)C(C)(C)F Z4917184507 [0,1,0,0,0,0|1,0,0]=2 62 B9R0.32 CC(C)(CO)[C@@H](O)C(=O)O Z1205493806 [0,1,0,0,0,0|1,1,0]=3 63 B9R0.32 CCC(C)(C)C(N)C(=O)O Z2429425649 [0,1,0,0,0,0|1,0,0]=2 64 B9R0.32 CCC(C)(O)C(O)C(=O)O Z1205494592 [0,1,0,0,0,0|1,1,0]=3 65 B9R0.49 CC(C)(C)C(N)P(=O)(O)O Z56872271 [0,1,0,0,0,0|2,0,0]=3 66 B9R0.72 CC(C)(C)C(CO)C(=O)O Z1205656785 [0,1,0,0,0,0|2,0,0]=3 67 B9R0.72 CSC(C(=O)O)C(C)(C)C Z1645899704 [0,1,0,0,0,0|2,0,0]=3 68 B9R0.80 CC(C)(C)C(C)(C)C(=O)O Z1205493736 [0,1,0,0,0,0|2,0,0]=3 69 B9R0.80 CC(C)(F)C(C)(F)C(=O)O Z3463117068 [0,1,0,0,0,0|2,0,0]=3 70 B9R0.80 CC(C)(N)C(C)(C)C(=O)O Z1255523358 [0,1,0,0,0,0|2,0,0]=3 71 B9R0.80 CC(C)(O)C(F)(F)C(=O)O Z982139052 [0,1,0,0,0,0|1,1,0]=3 72 B9R0.80 CC(F)(F)C(C)(C)C(=O)O Z1262555899 [0,1,0,0,0,0|3,0,0]=4 73 B9R0.80 CC(N)(C(=O)O)C(F)(F)F Z1269704823 [0,1,0,0,0,0|3,0,0]=4 74 B9R1.111 CC(C(=O)O)C1(CC1)N Z2327568962 [0,0,0,1,0,0|2,0,0]=3 75 B9R1.111 CC1(CC1)C(N)C(=O)O Z2940229290 [0,0,0,1,0,0|1,0,0]=2 76 B9R1.138 CC1(CNC(=O)C1N)C Z1203653557 [0,0,0,1,0,0|2,0,0]=3 77 B9R1.138 CC1(CNC(=O)C1O)C Z1203733112 [0,0,0,1,0,0|3,0,0]=4 78 B9R1.138 CC1(COC(=O)C1N)C Z2092370679 [0,0,0,1,0,0|1,0,0]=2 79 B9R1.138 CC1(COC(=O)[C@@H]1O)C Z1065885480 [0,0,0,1,0,0|2,0,0]=3 80 B9R1.166 CC1(CCC1C(=O)O)C Z1205494629 [0,0,0,1,0,0|2,0,0]=3 81 B9R1.166 CC1(CNC1C(=O)O)C Z2690814529 [0,0,0,1,0,0|1,0,0]=2 82 B9R1.169 CC1(CC1(F)F)C(=O)O Z1201624185 [0,0,0,1,0,0|3,0,0]=4 83 B9R1.169 CC1(CC1(N)C(=O)O)C Z3674952394 [0,0,0,1,0,0|1,0,0]=2 84 B9R0.10 CC(C)(C)C(N)CC(=O)O Z1582263789 [0,0,0,0,0,1|1,0,0]=2 85 B9R0.10 CC(CC(=O)O)C(C)(C)C Z352782682 [0,0,0,0,0,1|2,0,0]=3 86 B9R0.10 CC(CC(=O)O)C(C)(C)N Z3244926252 [0,0,0,0,0,1|2,0,0]=3 87 B9R0.10 NC(CC(=O)O)C(F)(F)F Z56782526 [0,0,0,0,0,1|3,0,0]=4 88 B9R0.57 C/C(=C\C(C)(C)C)/C(=O)O Z1868430509 [0,0,0,0,0,1|2,0,1]=4 89 B9R0.57 CC(C)(C)CC(N)C(=O)O Z1492781338 [0,0,0,0,0,1|1,0,0]=2 90 B9R0.57 CC(C)(C)CC(O)C(=O)O Z1041195612 [0,0,0,0,0,1|2,0,0]=3 91 B9R0.57 CC(C)(Cl)CC(N)C(=O)O Z2432627366 [0,0,0,0,0,1|1,0,0]=2 92 B9R0.57 CC(CC(C)(C)C)C(=O)O Z1198149948 [0,0,0,0,0,1|2,0,0]=3 93 B9R0.57 CC(CC(C)(C)N)C(=O)O Z1742056030 [0,0,0,0,0,1|2,0,0]=3 94 B9R0.57 CC(F)(F)CC(N)C(=O)O Z3325264018 [0,0,0,0,0,1|2,0,0]=3 95 B9R0.57 NC(CC(F)(F)F)C(=O)O Z1357902358 [0,0,0,0,0,1|3,0,0]=4 96 B6R0.2 C=C(C)CC(=O)O Z295890066 [2,0,0,0,0,0|0,0,2]=4 97 B6R0.2 CC(=CC(=O)O)C Z104480144 [2,0,0,0,0,0|0,0,2]=4 98 B6R0.2 CC(=O)CC(C)N Z57329385 [2,0,0,0,0,0|2,0,0]=4 99 B6R0.2 CC(C)CB(O)O Z1098324138 [2,0,0,0,0,0|1,0,1]=4 100 B6R0.2 CC(C)CC(=N)N Z1346385639 [2,0,0,0,0,0|2,0,0]=4 101 B6R0.2 CC(C)CC(=O)N Z33546511 [2,0,0,0,0,0|1,0,0]=3 102 B6R0.2 CC(C)CC(=O)O Z104474910 [2,0,0,0,0,0|0,0,0]=2 103 B6R0.2 CC(C)NC(=O)N Z56887677 [2,0,0,0,0,0|2,0,0]=4 104 B6R0.2 CC(N)CC(=O)N Z594220690 [2,0,0,0,0,0|2,0,0]=4 105 B6R0.2 CC(N)CC(=O)O Z147647144 [2,0,0,0,0,0|1,0,0]=3 106 B6R0.2 CN(C)CC(=O)N Z54750057 [2,0,0,0,0,0|2,0,0]=4 107 B6R0.2 CN(C)CC(=O)O Z235580496 [2,0,0,0,0,0|1,0,0]=3 108 B6R0.2 C[C@H](N)CC(=O)O Z1741969208 [2,0,0,0,0,0|1,0,0]=3 109 B6R0.5 CC(C)(N)CCO Z1198183553 [2,0,0,0,0,0|1,0,1]=4 110 B6R0.3 C#CC(N)C(C)C Z1982493902 [2,0,0,0,0,0|1,0,1]=4 111 B6R0.3 C#C[C@@H](N)C(C)C Z4351247948 [2,0,0,0,0,0|1,0,1]=4 112 B6R0.3 C=CC(N)C(=O)O Z3244810526 [2,0,0,0,0,0|0,0,2]=4 113 B6R0.3 CC(C)C(N)C#N Z1266854874 [2,0,0,0,0,0|1,0,1]=4 114 B6R0.3 CC(C)C(N)CN Z1266933925 [2,0,0,0,0,0|1,0,1]=4 115 B6R0.3 CC(C)N(C)C=O Z1258520821 [2,0,0,0,0,0|2,0,0]=4 116 B6R0.3 CC(C)[C@@H](N)C#N Z1695797928 [2,0,0,0,0,0|1,0,1]=4 117 B6R0.3 CC(C)[C@H](N)C#N Z1708090079 [2,0,0,0,0,0|1,0,1]=4 118 B6R0.3 CC(C)[C@H](N)CO Z1741982893 [2,0,0,0,0,0|0,0,1]=3 119 B6R0.3 CC(CN)C(=O)O Z431542704 [2,0,0,0,0,0|2,0,0]=4 120 B6R0.3 CC(CO)C(=O)O Z431541400 [2,0,0,0,0,0|1,1,0]=4 121 B6R0.3 CCC(C)C(=O)N Z270978420 [2,0,0,0,0,0|2,0,0]=4 122 B6R0.3 CCC(C)C(=O)O Z237374874 [2,0,0,0,0,0|1,0,0]=3 123 B6R0.3 CCC(N)C(=O)O Z104495144 [2,0,0,0,0,0|0,0,0]=2 124 B6R0.3 CCC(N)C(C)C Z823287438 [2,0,0,0,0,0|1,0,1]=4 125 B6R0.3 CCC(O)C(=O)N Z965049008 [2,0,0,0,0,0|2,0,0]=4 126 B6R0.3 CCC(O)C(=O)O Z246073650 [2,0,0,0,0,0|1,0,0]=3 127 B6R0.3 CC[C@@H](N)C(=O)O Z904976986 [2,0,0,0,0,0|0,0,0]=2 128 B6R0.3 CC[C@H](C)C(=O)O Z1205493564 [2,0,0,0,0,0|1,0,0]=3 129 B6R0.3 CC[C@H](N)C(=O)O Z1741965569 [2,0,0,0,0,0|0,0,0]=2 130 B6R0.3 CNC(C)C(=O)O Z1278590830 [2,0,0,0,0,0|2,0,0]=4 131 B6R0.3 COC(C)C(=O)O Z316258898 [2,0,0,0,0,0|2,0,0]=4 132 B6R0.3 CSC(C)C(=O)O Z149191750 [2,0,0,0,0,0|2,0,0]=4 133 B6R0.3 NC(CO)C(=O)O Z57396986 [2,0,0,0,0,0|0,1,0]=3 134 B6R0.3 NC(CS)C(=O)O Z966690626 [2,0,0,0,0,0|0,0,0]=2 135 B6R0.3 NCC(N)C(=O)O Z2465863279 [2,0,0,0,0,0|1,0,0]=3 136 B6R0.3 NC[C@@H](F)C(=O)O Z2695741427 [2,0,0,0,0,0|2,0,0]=4 137 B6R0.3 N[C@@H](CO)C(=O)O Z756440058 [2,0,0,0,0,0|0,1,0]=3 138 B6R0.3 N[C@@H](CS)C(=O)O Z760035162 [2,0,0,0,0,0|0,0,0]=2 139 B6R0.3 N[C@H](CO)C(=O)O Z1070067572 [2,0,0,0,0,0|0,1,0]=3 140 B6R0.7 CC(C)(Br)C(=O)N Z1255458262 [2,0,0,0,0,0|1,0,1]=4 141 B6R0.7 CC(C)(C)C(=O)N Z56895677 [2,0,0,0,0,0|1,0,1]=4 142 B6R0.7 CC(C)(N)C(=O)N Z752371206 [2,0,0,0,0,0|1,0,1]=4 143 B6R0.7 CC(N)C(C)(C)F Z3487099771 [2,0,0,0,0,0|1,0,1]=4 144 B6R0.7 CC(O)C(C)(C)N Z3688848535 [2,0,0,0,0,0|2,0,0]=4 145 B8R0.24 CC(C)(C)NC(=O)CO Z431952026 [1,1,0,0,0,0|2,0,0]=4 146 B8R0.24 CC(C)(C)OC(=O)CO Z431952234 [1,1,0,0,0,0|2,0,0]=4 147 B8R0.24 CNC(=O)CC(C)(C)N Z1457934971 [1,1,0,0,0,0|2,0,0]=4 148 B8R0.24 COC(=O)CC(C)(C)N Z1203579568 [1,1,0,0,0,0|1,0,0]=3 149 B8R0.24 COC(=O)CC(C)(C)O Z2242043764 [1,1,0,0,0,0|0,1,0]=3 150 B8R0.34 C=CC(C)(C)CC(=O)O Z1198162637 [1,1,0,0,0,0|1,0,0]=3 151 B8R0.34 CC(C)(C#N)CC(=O)O Z1205494237 [1,1,0,0,0,0|1,0,0]=3 152 B8R0.34 CC(C)(CN)CC(=O)O Z1723849148 [1,1,0,0,0,0|1,0,0]=3 153 B8R0.34 CC(O)(CN)CC(=O)O Z2379087949 [1,1,0,0,0,0|0,1,0]=3 154 B8R0.34 CCC(C)(C)CC(=O)O Z1198160089 [1,1,0,0,0,0|1,0,0]=3 155 B8R0.34 COC(C)(C)CC(=O)O Z1205494411 [1,1,0,0,0,0|0,1,0]=3 156 B8R0.13 CSC(C)(C)[C@H](N)CO Z228588390 [1,1,0,0,0,0|0,0,1]=3 157 B8R0.14 CC(C)(C)C(N)CCO Z223025190 [1,1,0,0,0,0|1,0,1]=4 158 B8R0.26 CNC(CO)C(C)(C)C Z803056522 [1,1,0,0,0,0|1,0,1]=4 159 B8R0.2 C=CC(C)C(C)C(=O)O Z1205494257 [1,1,0,0,0,0|1,0,1]=4 160 B8R0.2 CC(CN)C(F)C(=O)O Z3556611783 [1,1,0,0,0,0|1,0,0]=3 161 B8R0.2 CCC(C)C(=O)C(=O)O Z1205493610 [1,1,0,0,0,0|1,0,1]=4 162 B8R0.2 CCC(C)C(C)C(=O)O Z792363910 [1,1,0,0,0,0|1,0,0]=3 163 B8R0.2 CCC(C)C(N)C(=O)N Z56979347 [1,1,0,0,0,0|1,0,0]=3 164 B8R0.2 CCC(C)C(N)C(=O)O Z104473608 [1,1,0,0,0,0|0,0,0]=2 165 B8R0.2 CC[C@@H](C)[C@@H](N)C(=O)O Z1203578023 [1,1,0,0,0,0|0,0,0]=2 166 B8R0.2 CC[C@@H](C)[C@H](N)C(=O)O Z1203578040 [1,1,0,0,0,0|0,0,0]=2 167 B8R0.2 CC[C@@H](O)[C@@H](C)C(=O)O Z1205494177 [1,1,0,0,0,0|1,1,0]=4 168 B8R0.2 CC[C@H](C)[C@@H](N)C(=O)O Z1201618644 [1,1,0,0,0,0|0,0,0]=2 169 B8R0.2 CC[C@H](C)[C@H](N)C(=O)O Z756427442 [1,1,0,0,0,0|0,0,0]=2 170 B8R0.2 CNC(=O)C(N)C(C)C Z1449756432 [1,1,0,0,0,0|1,0,0]=3 171 B8R0.2 CNC(=O)[C@@H](N)C(C)C Z1449756441 [1,1,0,0,0,0|1,0,0]=3 172 B8R0.2 COC(=O)C(Br)C(C)Br Z104508924 [1,1,0,0,0,0|2,0,0]=4 173 B8R0.2 COC(=O)C(N)C(C)C Z2335631495 [1,1,0,0,0,0|0,0,0]=2 174 B8R0.2 COC(=O)C(N)C(C)O Z1695799434 [1,1,0,0,0,0|0,1,0]=3 175 B8R0.2 COC(=O)[C@@H](N)[C@@H](C)F Z4353916280 [1,1,0,0,0,0|1,0,0]=3 176 B8R0.2 COC(C)C(O)C(=O)O Z1509040637 [1,1,0,0,0,0|1,0,0]=3 177 B8R0.2 CSC(C)C(N)C(=O)O Z4511736963 [1,1,0,0,0,0|0,0,0]=2 178 B8R0.2 CSC(C)C(O)C(=O)O Z2787457174 [1,1,0,0,0,0|1,0,0]=3 179 B8R0.2 NC[C@@H](O)[C@@H](O)C(=O)O Z3270796459 [1,1,0,0,0,0|1,1,0]=4 180 B8R0.18 CC(C)C(CN)C(=O)O Z1259162105 [1,1,0,0,0,0|0,0,0]=2 181 B8R0.18 CC(C)C(CO)C(=O)O Z1205494781 [1,1,0,0,0,0|1,0,0]=3 182 B8R0.18 CCC(C(=O)O)N(C)C Z1431904010 [1,1,0,0,0,0|2,0,0]=4 183 B8R0.18 CSC(C(=O)O)C(C)C Z732206602 [1,1,0,0,0,0|1,0,0]=3 184 B8R0.37 CC(C)C(C)(C)C(=O)O Z1198160164 [1,1,0,0,0,0|1,0,0]=3 185 B8R0.37 CC(C)C(C)(O)C(=O)O Z991569008 [1,1,0,0,0,0|1,0,0]=3 186 B8R0.37 CC(C)C(F)(F)C(=O)[O-] Z4020198961 [1,1,0,0,0,0|1,0,1]=4 187 B8R0.37 CC(N)(C(=O)O)C(F)F Z3185477658 [1,1,0,0,0,0|2,0,0]=4 188 B8R0.37 CC(O)C(C)(N)C(=O)O Z2768110660 [1,1,0,0,0,0|0,1,0]=3 189 B8R0.37 CC(O)C(C)(O)C(=O)O Z1205494313 [1,1,0,0,0,0|1,1,0]=4 190 B8R0.37 CN(C)C(C)(C)C(=O)O Z1431002715 [1,1,0,0,0,0|2,0,0]=4 191 B10R0.138 CC(C)(C)C(CN)CC(=O)O Z1665033545 [0,1,0,0,0,1|1,0,0]=3 192 B10R0.138 CCC(CC(=O)O)C(C)(C)C Z1262527169 [0,1,0,0,0,1|2,0,0]=4 193 B10R0.154 CC(C(=O)O)C(C)C(C)(C)C Z1262525834 [0,1,0,0,0,1|2,0,0]=4 194 B10R0.154 CC(C)(C)C(O)C(N)C(=O)O Z4351247763 [0,1,0,0,0,1|2,0,0]=4 195 B10R0.37 COC(=O)C(C)OC(C)(C)C Z852756272 [0,1,0,0,0,1|2,0,0]=4 196 B10R0.37 COC(=O)C(N)CC(C)(C)C Z2418194244 [0,1,0,0,0,1|1,0,0]=3 197 B10R0.95 CNC(CC(C)(C)C)C(=O)O Z1041195030 [0,1,0,0,0,1|1,0,0]=3 198 B10R0.163 CC(C)(C)CC(C)(C)C(=O)O Z1262511189 [0,1,0,0,0,1|2,0,0]=4 199 B10R0.58 COC(=O)C(C)(C)C(C)(C)N Z1255391881 [0,2,0,0,0,0|2,0,0]=4 200 B10R0.58 COC(=O)C(C)(N)C(C)(C)O Z3767076948 [0,2,0,0,0,0|0,1,0]=3 201 B10R0.100 CCOC(=O)[C@@H](N)C(C)(C)C Z1374884848 [0,2,0,0,0,0|1,0,0]=3 202 B10R0.117 CC(O)(C(F)F)C(N)C(=O)O Z3759788258 [0,2,0,0,0,0|0,1,0]=3 203 B10R0.69 C=CCC(C(=O)O)C(C)(C)C Z1262523307 [0,2,0,0,0,0|2,0,0]=4 204 B10R0.192 CN(C)C(C(=O)O)C(C)(C)C Z803056446 [0,2,0,0,0,0|1,0,0]=3 205 B8R1.77 CC1(CC1C(=O)O)C Z979743336 [1,0,0,1,0,0|1,0,0]=3 206 B8R1.77 O=C(O)C1CC1(Br)Br Z600508418 [1,0,0,1,0,0|2,0,0]=4 207 B8R1.77 O=C(O)C1CC1(Cl)Cl Z56983732 [1,0,0,1,0,0|2,0,0]=4 208 B8R1.65 CC1(CC1(C)C=O)C Z1511852399 [1,0,0,1,0,0|2,0,0]=4 209 B8R1.30 C[C@@H]1C[C@]1(N)C(=O)O Z4134701167 [1,0,0,1,0,0|0,0,0]=2 210 B8R1.31 N[C@@H]1CC[C@H]1C(=O)O Z2471604870 [1,0,0,1,0,0|2,0,0]=4 211 B8R1.31 O=C(O)C1CCC1F Z2035936452 [1,0,0,1,0,0|2,0,0]=4 212 B8R1.50 CC1CNC(=O)C1C Z1203745887 [1,0,0,1,0,0|2,0,0]=4 213 B8R1.50 CC1COC(=O)C1N Z3951586277 [1,0,0,1,0,0|0,0,0]=2 214 B8R1.50 N[C@H]1C(=O)NC[C@@H]1O Z5183356392 [1,0,0,1,0,0|1,1,0]=4 215 B8R1.54 CC(C(=O)O)C1CC1 Z792377292 [1,0,0,1,0,0|1,0,0]=3 216 B8R1.54 NC(=O)C(N)C1CC1 Z3183923231 [1,0,0,1,0,0|1,0,0]=3 217 B8R1.54 NC(=O)C(O)C1CC1 Z965049350 [1,0,0,1,0,0|2,0,0]=4 218 B8R1.54 NC(C(=O)O)C1CC1 Z1273089257 [1,0,0,1,0,0|0,0,0]=2 219 B8R1.54 O=C(O)C(O)C1CC1 Z802856440 [1,0,0,1,0,0|1,0,0]=3 220 B10R1.147 CC1NC(COC1=O)(C)C Z1203731811 [0,0,0,1,0,1|2,0,0]=4 221 B10R1.359 CC1(CC(CN1)C(=O)O)C Z4238522538 [0,0,0,1,0,1|2,0,0]=4 222 B10R1.359 CC1(CCC(C1)C(=O)O)C Z1205496980 [0,0,0,1,0,1|2,0,0]=4 223 B10R1.359 CC1(CCC(N1)C(=O)O)C Z1762997323 [0,0,0,1,0,1|2,0,0]=4 224 B10R1.359 CC1(CNC(C1)C(=O)O)C Z3247793866 [0,0,0,1,0,1|1,0,0]=3 225 B10R1.359 CC1(NC(CS1)C(=O)O)C Z111883472 [0,0,0,1,0,1|1,0,0]=3 226 B10R1.359 O=C(O)C1CC(CN1)(F)F Z1815156403 [0,0,0,1,0,1|2,0,0]=4 227 B10R1.566 CC1(CC(C1)(N)C(=O)O)C Z3048844013 [0,0,0,1,0,1|1,0,0]=3 228 B10R1.566 CC1(CC(C1)(O)C(=O)O)C Z1205497280 [0,0,0,1,0,1|2,0,0]=4 229 B10R1.566 NC1(CC(C1)(F)F)C(=O)O Z1603778714 [0,0,0,1,0,1|2,0,0]=4 230 B10R1.183 COC(=O)C(N)C1(CC1)C Z3038762990 [0,1,0,1,0,0|1,0,0]=3 231 B10R1.83 CC1([C@H](C[C@H]1C(=O)O)N)C Z2307368764 [0,1,0,1,0,0|2,0,0]=4 232 B10R1.128 CC1(CCCC1C(=O)O)C Z1205494169 [0,1,0,1,0,0|2,0,0]=4 233 B10R1.128 CC1(CCNC1C(=O)O)C Z2301438439 [0,1,0,1,0,0|1,0,0]=3 234 B10R1.128 CC1(CNCC1C(=O)O)C Z1741975323 [0,1,0,1,0,0|1,0,0]=3 235 B10R1.128 CC1(NCCC1C(=O)O)C Z3485881429 [0,1,0,1,0,0|2,0,0]=4 236 B10R1.128 CC1(OCCC1C(=O)O)C Z1205495057 [0,1,0,1,0,0|1,1,0]=4 237 B10R1.128 C[C@]1(CCC[C@@H]1C(=O)O)N Z2306832357 [0,1,0,1,0,0|2,0,0]=4 238 B10R1.365 CC1(CCC1(N)C(=O)O)C Z5783123373 [0,1,0,1,0,0|1,0,0]=3 239 B10R1.495 O=C(O)C(O)C1(CCC1)O Z1205497473 [0,1,0,1,0,0|1,1,0]=4 240 B10R1.242 CC1(CC1(C#N)C(=O)O)C Z2182005711 [0,1,0,1,0,0|1,0,1]=4 241 B10R1.242 NCC1(CC1(F)F)C(=O)O Z2830496052 [0,1,0,1,0,0|2,0,0]=4 242 B10R1.310 CC1(OC(=O)C1C(=O)O)C Z56781501 [0,1,0,1,0,0|1,1,0]=4 243 B10R1.355 CC1(CC1)C(C)(N)C(=O)O Z1801304551 [0,1,0,1,0,0|1,0,0]=3 244 B8R0.29 CC(=O)CCC(C)(C)C Z992965824 [1,0,0,0,0,1|2,0,0]=4 245 B8R0.29 CC(C)(C)C#CC(=O)O Z1205493807 [1,0,0,0,0,1|1,0,1]=4 246 B8R0.29 CC(C)(C)CCC(=O)O Z819990896 [1,0,0,0,0,1|1,0,0]=3 247 B8R0.29 CC(C)(C)CNC(=O)N Z763367008 [1,0,0,0,0,1|2,0,0]=4 248 B8R0.29 CC(C)(C)NCC(=O)N Z104690680 [1,0,0,0,0,1|2,0,0]=4 249 B8R0.29 CC(C)(C)OCC(=O)O Z362795372 [1,0,0,0,0,1|1,0,0]=3 250 B8R0.29 CC(C)(C)SCC(=O)O Z66636002 [1,0,0,0,0,1|1,0,0]=3 251 B8R0.29 CC(C)(N)C#CC(=O)O Z4371204029 [1,0,0,0,0,1|1,0,1]=4 252 B8R0.29 CC(C)(N)CCC(=O)O Z1259041013 [1,0,0,0,0,1|1,0,0]=3 253 B8R0.29 CC(C)(N)CNC(=O)N Z1198235624 [1,0,0,0,0,1|2,0,0]=4 254 B8R0.29 CC(C)(O)C#CC(=O)O Z1198166162 [1,0,0,0,0,1|0,1,1]=4 255 B8R0.29 CC(C)(O)CCC(=O)[O-] Z1718361752 [1,0,0,0,0,1|0,1,1]=4 256 B8R0.29 CC(F)(F)CCC(=O)O Z316121454 [1,0,0,0,0,1|2,0,0]=4 257 B8R0.23 C=C(C)CC(N)C(=O)O Z317024962 [1,0,0,0,0,1|0,0,2]=4 258 B8R0.23 CC(C)C(C)CC(=O)O Z234897253 [1,0,0,0,0,1|1,0,0]=3 259 B8R0.23 CC(C)C(N)CC(=O)O Z975823290 [1,0,0,0,0,1|0,0,0]=2 260 B8R0.23 CC(C)CC(=O)C(=O)O Z975823226 [1,0,0,0,0,1|1,0,1]=4 261 B8R0.23 CC(C)CC(C)C(=O)O Z756390494 [1,0,0,0,0,1|1,0,0]=3 262 B8R0.23 CC(C)CC(N)C(=O)O Z57127546 [1,0,0,0,0,1|0,0,0]=2 263 B8R0.23 CC(C)C[C@@H](N)C(=O)O Z850973972 [1,0,0,0,0,1|0,0,0]=2 264 B8R0.23 CC(C)C[C@H](N)C(=O)O Z756437526 [1,0,0,0,0,1|0,0,0]=2 265 B8R0.23 CC(C)N(C)CC(=O)O Z763366300 [1,0,0,0,0,1|2,0,0]=4 266 B8R0.23 CC(C)NC(C)C(=O)O Z449368966 [1,0,0,0,0,1|1,0,0]=3 267 B8R0.23 CC(C)SC(C)C(=O)O Z214845364 [1,0,0,0,0,1|1,0,0]=3 268 B8R0.23 CC(CC(=O)O)N(C)C Z431539982 [1,0,0,0,0,1|2,0,0]=4 269 B8R0.23 CC(CN(C)C)C(=O)O Z2106602539 [1,0,0,0,0,1|2,0,0]=4 270 B8R0.23 CC(N)CC(C)C(=O)O Z5272192378 [1,0,0,0,0,1|2,0,0]=4 271 B8R0.23 CN(C)CC(O)C(=O)O Z1205494800 [1,0,0,0,0,1|2,0,0]=4 272 B8R0.23 NC(CC(F)F)C(=O)O Z1250080925 [1,0,0,0,0,1|2,0,0]=4 273 B10R0.31 CC(C)(C)CC(N)CC(=O)O Z1704732913 [0,0,0,0,0,2|1,0,0]=3 274 B10R0.92 CC(C)(C)CCC(N)C(=O)N Z1889917254 [0,0,0,0,0,2|2,0,0]=4 275 B10R0.92 CC(C)(C)CCC(N)C(=O)O Z819991814 [0,0,0,0,0,2|1,0,0]=3 276 B10R0.92 CC(CCC(C)(C)C)C(=O)O Z819995662 [0,0,0,0,0,2|2,0,0]=4