0 B8R0.9 CC(CN)CCC(=O)O CS-0224592 [0,0,0,0,0,0|2,0,1]=3 1 B8R0.9 CCC(=O)CCC(=O)O CS-0207493 [0,0,0,0,0,0|1,0,3]=4 2 B8R0.9 CCC(C)CCC(C)=O CS-0243170 [0,0,0,0,0,0|2,0,2]=4 3 B8R0.9 CSC(C)CCC(=O)O CS-0231920 [0,0,0,0,0,0|2,0,1]=3 4 B8R0.9 NCC(N)CCC(=O)O CS-0260402 [0,0,0,0,0,0|1,0,1]=2 5 B8R0.9 NNC(=O)CCC(=O)O CS-0521384 [0,0,0,0,0,0|3,0,1]=4 6 B8R0.9 O=C(O)CCC(=O)O[Na] CS-0198098 [0,0,0,0,0,0|3,0,1]=4 7 B8R0.9 [C@@H](N)(C=C)CCC(=O)O CS-W013453 [0,0,0,0,0,0|0,0,0]=0 8 B7R0.3 C=CC(O)CCCC CS-0452940 [1,0,0,0,0,0|2,0,1]=4 9 B7R0.3 CCC(N)CCCO CS-0236618 [1,0,0,0,0,0|0,0,3]=4 10 B7R0.4 C#CCNCC(=O)O CS-0076488 [1,0,0,0,0,0|1,0,2]=4 11 B7R0.4 C=CCCCC(C)O CS-0231877 [1,0,0,0,0,0|1,0,1]=3 12 B7R0.4 C=CCCC[N+](=O)[O-] CS-0258704 [1,0,0,0,0,0|1,0,1]=3 13 B7R0.4 C=CCOCC(=O)O CS-0112199 [1,0,0,0,0,0|1,0,0]=2 14 B7R0.4 CC#CCCC(=O)O CS-0244849 [1,0,0,0,0,0|0,0,3]=4 15 B7R0.4 CC(=O)CCCCBr CS-0155060 [1,0,0,0,0,0|2,0,1]=4 16 B7R0.4 CCCNCC(=O)O CS-0297938 [1,0,0,0,0,0|1,0,2]=4 17 B7R0.4 NC(=O)CCCCCl CS-0216725 [1,0,0,0,0,0|2,0,1]=4 18 B7R0.4 NCCCCC(=O)O CS-0214080 [1,0,0,0,0,0|1,0,1]=3 19 B7R0.4 NCCSCC(=O)O CS-0230315 [1,0,0,0,0,0|2,0,1]=4 20 B7R0.4 NOCCCC(=O)O CS-0225209 [1,0,0,0,0,0|2,0,0]=3 21 B7R0.4 O=C(O)CCCCO CS-W022392 [1,0,0,0,0,0|1,0,1]=3 22 B7R0.6 C=C(C)CCC(N)=O CS-0667691 [1,0,0,0,0,0|2,0,1]=4 23 B7R0.6 CC(Br)CCC(=O)O CS-0225367 [1,0,0,0,0,0|1,0,1]=3 24 B7R0.6 CC(C)CCC(N)=O CS-0850663 [1,0,0,0,0,0|2,0,1]=4 25 B7R0.6 CC(C)NCC(=O)O CS-0274531 [1,0,0,0,0,0|2,0,1]=4 26 B7R0.6 CC(C)SCC(=O)O CS-0216007 [1,0,0,0,0,0|2,0,1]=4 27 B7R0.6 CC(O)CCC(=O)[O-] CS-0160829 [1,0,0,0,0,0|1,0,2]=4 28 B7R0.6 O=C(O)CCC(=O)O CS-0912129 [1,0,0,0,0,0|2,0,1]=4 29 B7R0.6 O=C(O)CSC(F)F CS-0240100 [1,0,0,0,0,0|3,0,0]=4 30 B9R0.7 C=C(C)CC[C@@H](N)C(=O)O CS-1046141 [0,1,0,0,0,0|3,0,0]=4 31 B9R0.7 C=C(CCC(=O)O)C(=O)O CS-0144510 [0,1,0,0,0,0|2,0,1]=4 32 B9R0.7 CC(=O)C(C)CCC(=O)O CS-0253545 [0,1,0,0,0,0|1,0,1]=3 33 B9R0.7 CC(=O)SC[C@H](N)C(=O)O CS-0914560 [0,1,0,0,0,0|3,0,0]=4 34 B9R0.7 C[C@H](CCC(=O)O)C(=O)O CS-0063209 [0,1,0,0,0,0|2,0,0]=3 35 B9R0.7 NC(=O)CC[C@@H](N)C(N)=O CS-0306574 [0,1,0,0,0,0|2,0,0]=3 36 B9R0.7 O=C(O)CCC(=O)C(=O)O CS-0636767 [0,1,0,0,0,0|2,0,1]=4 37 B9R0.42 CCC(C)CC(C)C(=O)O CS-0237412 [0,1,0,0,0,0|1,0,2]=4 38 B9R0.42 CCC(C)CC(N)C(=O)O CS-0230416 [0,1,0,0,0,0|1,0,2]=4 39 B9R0.43 CCC(CC)CCC(=O)O CS-0240052 [0,1,0,0,0,0|1,0,2]=4 40 B9R0.48 CCOC(C)CCC(=O)O CS-0278972 [0,1,0,0,0,0|1,0,2]=4 41 B9R1.35 CN1C=NC(C(=O)O)C1 CS-0224237 [0,0,0,1,0,0|3,0,0]=4 42 B9R1.35 C[C@@H]1CN[C@H](C(=O)O)C1 CS-0089834 [0,0,0,1,0,0|2,0,1]=4 43 B9R1.35 C[C@@H]1CN[C@H](C(=O)O)C1 CS-0170850 [0,0,0,1,0,0|2,0,1]=4 44 B9R1.35 C[C@H]1CN[C@H](C(=O)O)C1 CS-0183084 [0,0,0,1,0,0|2,0,1]=4 45 B9R1.35 NC1=CC=C(C(=O)O)N1 CS-0197463 [0,0,0,1,0,0|1,0,2]=4 46 B9R1.35 N[C@H]1CN[C@H](C(=O)O)C1 CS-0001905 [0,0,0,1,0,0|1,0,1]=3 47 B9R1.35 O=C(O)[C@@H]1CC[C@@H](O)C1 CS-0645142 [0,0,0,1,0,0|1,0,2]=4 48 B9R1.35 O=C(O)[C@@H]1CC[C@H](O)C1 CS-0129823 [0,0,0,1,0,0|1,0,2]=4 49 B9R1.35 O=C(O)[C@@H]1CC[C@H](O)C1 CS-0782222 [0,0,0,1,0,0|1,0,2]=4 50 B9R1.35 O=C(O)[C@H]1CC[C@@H](O)C1 CS-0310402 [0,0,0,1,0,0|1,0,2]=4 51 B9R1.69 N[C@H]1CCC(=O)NC1=O CS-0504406 [0,0,0,1,0,0|2,0,0]=3 52 B9R1.86 CCC1CC1CC(=O)O CS-0451400 [0,0,0,1,0,0|1,0,2]=4 53 B9R1.95 C#CC1CC(C(=O)O)C1 CS-0474329 [0,0,0,1,0,0|1,0,2]=4 54 B9R1.95 C#C[C@H]1C[C@@H](C(=O)O)C1 CS-0474331 [0,0,0,1,0,0|1,0,2]=4 55 B9R1.95 C#C[C@H]1C[C@H](C(=O)O)C1 CS-0474330 [0,0,0,1,0,0|1,0,2]=4 56 B9R1.95 CCC1CC(C(=O)O)C1 CS-0223200 [0,0,0,1,0,0|1,0,2]=4 57 B9R1.95 CO[C@H]1C[C@@H](C(=O)O)C1 CS-0049699 [0,0,0,1,0,0|2,0,1]=4 58 B9R1.95 N#CC1CC(C(=O)O)C1 CS-0089280 [0,0,0,1,0,0|2,0,1]=4 59 B9R1.95 NC[C@H]1C[C@@H](C(=O)O)C1 CS-0111671 [0,0,0,1,0,0|2,0,1]=4 60 B9R1.95 O=C(O)C1CC(CBr)C1 CS-0183294 [0,0,0,1,0,0|2,0,1]=4 61 B9R1.95 O=C(O)C1CC(CF)C1 CS-0434029 [0,0,0,1,0,0|2,0,1]=4 62 B9R1.95 O=C(O)C1CC(CO)C1 CS-0054679 [0,0,0,1,0,0|2,0,1]=4 63 B9R1.95 O=C(O)[C@H]1C[C@@H](CO)C1 CS-0172829 [0,0,0,1,0,0|2,0,1]=4 64 B9R1.127 CCC1(C)CC1C(=O)O CS-0230913 [0,0,0,1,0,0|1,0,2]=4 65 B7R0.2 CC(C#N)CC(=O)O CS-0611916 [0,0,0,0,1,0|2,0,1]=4 66 B7R0.2 CC[C@@H](C)CC(=O)O CS-0172023 [0,0,0,0,1,0|1,0,2]=4 67 B7R0.2 CC[C@@H](N)CC(=O)O CS-0236565 [0,0,0,0,1,0|0,0,2]=3 68 B7R0.2 CNC(C)CC(=O)O CS-0742482 [0,0,0,0,1,0|2,0,1]=4 69 B7R0.2 NC(CO)CC(=O)O CS-0161147 [0,0,0,0,1,0|1,0,1]=3 70 B9R0.1 CCC(C)CCCC(=O)O CS-0237501 [0,0,0,0,0,1|1,0,2]=4 71 B6R0.1 C=CC(N)COC CS-0234293 [2,0,0,0,0,0|1,0,1]=4 72 B6R0.1 CCC(N)CCO CS-0757410 [2,0,0,0,0,0|0,0,2]=4 73 B6R0.1 NCC(N)CCO CS-0262956 [2,0,0,0,0,0|1,0,1]=4 74 B6R0.1 N[C@@H](CO)CCO CS-0091341 [2,0,0,0,0,0|1,0,1]=4 75 B6R0.4 C=CCCC(N)=O CS-0524500 [2,0,0,0,0,0|1,0,0]=3 76 B6R0.4 C=CCNC(C)=O CS-0224602 [2,0,0,0,0,0|2,0,0]=4 77 B6R0.4 C=C\C=C\C(=O)O CS-0784847 [2,0,0,0,0,0|0,0,2]=4 78 B6R0.4 NC\C=C\C(=O)O CS-0201665 [2,0,0,0,0,0|0,0,2]=4 79 B6R0.6 C=CCCCCI CS-0236133 [2,0,0,0,0,0|1,0,1]=4 80 B6R0.6 C=CCNCCO CS-0129478 [2,0,0,0,0,0|1,0,1]=4 81 B8R0.8 C=CCCC(N)C(=O)O CS-0447649 [1,1,0,0,0,0|2,0,0]=4 82 B8R0.8 N[C@@H](CCCO)C(=O)O CS-0437642 [1,1,0,0,0,0|1,0,1]=4 83 B8R0.5 C#CC[C@@H](N)CC(=O)O CS-0357455 [1,1,0,0,0,0|0,0,2]=4 84 B8R0.5 C=CC[C@H](N)CC(=O)O CS-0205045 [1,1,0,0,0,0|0,0,0]=2 85 B8R0.5 CC(CCN)CC(=O)O CS-0222610 [1,1,0,0,0,0|1,0,1]=4 86 B8R0.5 CCCC(N)CC(=O)O CS-0297046 [1,1,0,0,0,0|0,0,2]=4 87 B8R0.5 CCCC(O)CC(=O)O CS-0062937 [1,1,0,0,0,0|0,0,2]=4 88 B8R0.7 C=CCCNCC(N)=O CS-0238006 [1,1,0,0,0,0|1,0,0]=3 89 B8R0.7 CCCOCCC(=O)O CS-0489295 [1,1,0,0,0,0|0,0,2]=4 90 B8R0.7 N#CCCCCC(=O)O CS-0163643 [1,1,0,0,0,0|0,0,2]=4 91 B8R0.7 O=C(O)COCCCBr CS-0852023 [1,1,0,0,0,0|1,0,1]=4 92 B8R0.7 O=CNCCCC(=O)O CS-0210051 [1,1,0,0,0,0|1,0,0]=3 93 B8R0.28 CC(N)CCCC(=O)O CS-0224845 [1,1,0,0,0,0|0,0,2]=4 94 B8R0.28 NC(=O)CCCC(=O)O CS-0514587 [1,1,0,0,0,0|1,0,0]=3 95 B8R0.28 NC(=O)CNCC(=O)O CS-0346281 [1,1,0,0,0,0|2,0,0]=4 96 B8R0.23 C=C(C)CC(C)C(=O)O CS-0233161 [1,1,0,0,0,0|1,0,1]=4 97 B8R0.23 CC(C)CC(C)C(=O)O CS-0609945 [1,1,0,0,0,0|1,0,1]=4 98 B8R0.23 CC(C)C[C@H](Cl)C(=O)O CS-0198796 [1,1,0,0,0,0|1,0,1]=4 99 B8R0.23 NC(=O)C[C@@H](O)C(=O)O CS-0224021 [1,1,0,0,0,0|1,0,1]=4 100 B8R0.23 NC(CC(F)F)C(=O)O CS-0134112 [1,1,0,0,0,0|2,0,0]=4 101 B8R0.29 NS(=O)(=O)CCC(=O)O CS-W019129 [1,1,0,0,0,0|2,0,0]=4 102 B8R0.16 CCC(CN)CC(=O)O CS-0231750 [0,1,0,0,1,0|0,0,2]=4 103 B8R0.34 C=CC(C)(O)CC(=O)O CS-0237306 [0,1,0,0,1,0|1,0,0]=3 104 B10R0.59 C=CC(=O)NCCC(=O)OC CS-0222875 [0,1,0,0,0,1|1,0,1]=4 105 B10R0.43 CC(=O)C(C)(C)CCC(=O)O CS-0223115 [0,2,0,0,0,0|1,0,1]=4 106 B10R0.96 NC(=O)CC[C@@H](N)CC(=O)O CS-0572273 [0,2,0,0,0,0|1,0,1]=4 107 B10R0.96 NC(=O)CC[C@H](N)CC(=O)O CS-0201748 [0,2,0,0,0,0|1,0,1]=4 108 B8R1.1 COC1CCC(=O)N1 CS-0255733 [1,0,0,1,0,0|1,0,1]=4 109 B8R1.1 NC[C@@H]1CCC(=O)N1 CS-0053135 [1,0,0,1,0,0|1,0,1]=4 110 B8R1.1 NC[C@H]1CCC(=O)N1 CS-W021139 [1,0,0,1,0,0|1,0,1]=4 111 B8R1.1 O=C1CCC(CBr)N1 CS-0166600 [1,0,0,1,0,0|1,0,1]=4 112 B8R1.3 N[C@@H]1CCC(=O)NC1 CS-0054409 [1,0,0,1,0,0|1,0,1]=4 113 B8R1.50 CC1CCC(=O)C1=O CS-0515006 [1,0,0,1,0,0|2,0,0]=4 114 B8R1.4 CC1=CCCC(=O)O1 CS-0264028 [1,0,0,1,0,0|0,0,2]=4 115 B8R1.4 O=C1CSCC(=O)O1 CS-W013418 [1,0,0,1,0,0|2,0,0]=4 116 B8R1.31 CN1CCC1C(=O)O CS-0056391 [1,0,0,1,0,0|1,0,1]=4 117 B8R1.31 CN1CC[C@@H]1C(=O)O CS-0052024 [1,0,0,1,0,0|1,0,1]=4 118 B8R1.31 CN1CC[C@H]1C(=O)O CS-0052023 [1,0,0,1,0,0|1,0,1]=4 119 B8R1.31 N[C@H]1CC[C@H]1C(=O)O CS-0049744 [1,0,0,1,0,0|1,0,1]=4 120 B8R1.34 O=C(O)CC1CCN1 CS-0172790 [1,0,0,1,0,0|1,0,1]=4 121 B8R1.34 O=C(O)CC1CCO1 CS-0057150 [1,0,0,1,0,0|1,0,1]=4 122 B8R1.43 CC[C@@H]1C[C@H]1C(=O)O CS-0217192 [1,0,0,1,0,0|0,0,2]=4 123 B8R1.43 CO[C@@H]1C[C@H]1C(=O)O CS-0623068 [1,0,0,1,0,0|1,0,1]=4 124 B8R1.43 NC[C@@H]1C[C@@H]1C(=O)O CS-0491586 [1,0,0,1,0,0|1,0,1]=4 125 B8R1.43 NC[C@@H]1C[C@H]1C(=O)O CS-0184595 [1,0,0,1,0,0|1,0,1]=4 126 B8R1.43 O=C(O)C1CC1CCl CS-0468855 [1,0,0,1,0,0|1,0,1]=4 127 B8R1.43 O=C(O)C1CC1CF CS-0500732 [1,0,0,1,0,0|1,0,1]=4 128 B8R1.43 O=C(O)C1CC1CO CS-0098963 [1,0,0,1,0,0|1,0,1]=4 129 B8R1.43 O=C(O)[C@H]1C[C@@H]1CO CS-0056044 [1,0,0,1,0,0|1,0,1]=4 130 B8R1.23 C[C@H]1C[C@@H](C(=O)O)C1 CS-0045557 [1,0,0,1,0,0|1,0,1]=4 131 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 CS-W022614 [1,0,0,1,0,0|0,0,1]=3 132 B8R1.23 N[C@H]1C[C@H](C(=O)O)C1 CS-0047792 [1,0,0,1,0,0|0,0,1]=3 133 B8R1.23 N[C@H]1C[C@H](C(=O)O)C1 CS-0053763 [1,0,0,1,0,0|0,0,1]=3 134 B8R1.23 O=C(O)[C@H]1C[C@@H](Br)C1 CS-0475970 [1,0,0,1,0,0|1,0,1]=4 135 B8R1.23 O=C(O)[C@H]1C[C@@H](F)C1 CS-0049707 [1,0,0,1,0,0|1,0,1]=4 136 B8R1.23 O=C(O)[C@H]1C[C@H](F)C1 CS-0047785 [1,0,0,1,0,0|1,0,1]=4 137 B8R1.23 O=C1C[C@H](C(=O)O)N1 CS-0053483 [1,0,0,1,0,0|1,0,1]=4 138 B8R1.77 O=C(O)C1CC1(F)Cl CS-0054273 [1,0,0,1,0,0|2,0,0]=4 139 B8R1.18 N[C@@H]1CC(=O)NC1=O CS-0626967 [0,0,0,1,1,0|2,0,0]=4 140 B8R1.18 N[C@@H]1CC(=O)OC1=O CS-0055104 [0,0,0,1,1,0|1,0,0]=3 141 B8R1.18 N[C@H]1CC(=O)NC1=O CS-0722877 [0,0,0,1,1,0|2,0,0]=4 142 B10R1.13 CC1CC=C(C(=O)O)CC1 CS-0309596 [0,0,0,1,0,1|1,0,1]=4 143 B10R1.31 CCC1CC[C@@H](C(=O)O)N1 CS-0521358 [0,0,0,1,0,1|0,0,2]=4 144 B10R1.349 O=C(O)C1CC(C(=O)O)C1 CS-0054338 [0,1,0,1,0,0|2,0,0]=4 145 B10R1.349 O=C(O)[C@H]1C[C@@H](C(=O)O)C1 CS-0106612 [0,1,0,1,0,0|2,0,0]=4 146 B10R1.349 O=C(O)[C@H]1C[C@H](C(=O)O)C1 CS-W023034 [0,1,0,1,0,0|2,0,0]=4 147 B10R1.63 CC1(N)CCC(=O)NC1=O CS-0036349 [0,1,0,1,0,0|2,0,0]=4 148 B10R1.63 CC1(N)CCC(=O)NC1=O CS-0523121 [0,1,0,1,0,0|2,0,0]=4 149 B10R1.113 NC1CCCC(C(=O)O)C1 CS-0099366 [0,1,0,1,0,0|0,0,2]=4 150 B10R1.113 N[C@@H]1CCC[C@H](C(=O)O)C1 CS-0962429 [0,1,0,1,0,0|0,0,2]=4 151 B10R1.66 O=C(O)CCC1=CNC=C1 CS-0170810 [0,1,0,1,0,0|0,0,1]=3 152 B10R1.66 O=C(O)CCC1=COC=C1 CS-0230274 [0,1,0,1,0,0|1,0,1]=4 153 B10R1.66 O=C(O)CCC1=NNC=N1 CS-0229822 [0,1,0,1,0,0|1,0,1]=4 154 B10R1.66 O=C(O)CCC1CCNC1 CS-0222926 [0,1,0,1,0,0|0,0,2]=4 155 B10R2.43 O=C1OC(=O)C2CC1C2 CS-0215924 [0,0,0,2,0,0|2,0,0]=4 156 B6R0.2 C=C(C)CC(=O)O CS-0222727 [1,0,0,0,1,0|1,0,1]=4 157 B6R0.2 CC(Br)CC(=O)O CS-0234784 [1,0,0,0,1,0|1,0,1]=4 158 B6R0.3 C=CC(O)C(=O)O CS-0237282 [0,0,0,0,2,0|1,0,0]=3 159 B6R0.3 C=C[C@H](N)C(=O)O CS-0012700 [0,0,0,0,2,0|0,0,0]=2 160 B6R0.3 NC(CCl)C(=O)O CS-0539404 [0,0,0,0,2,0|1,0,1]=4 161 B6R0.3 NC(CF)C(=O)O CS-0181058 [0,0,0,0,2,0|1,0,1]=4 162 B6R0.3 NCC(N)C(=O)O CS-0666493 [0,0,0,0,2,0|1,0,1]=4 163 B6R0.3 N[C@@H](CS)C(=O)O CS-0516218 [0,0,0,0,2,0|1,0,1]=4