0 B7R0.6 C=C(Br)CNC(C)=O CS-0106982 [0,0,0,0,0,0|3,0,0]=3 1 B7R0.6 C[C@@H](N)CCC(=O)O CS-0093985 [0,0,0,0,0,0|1,0,1]=2 2 B7R0.6 O=C(O)COC(F)F CS-0102315 [0,0,0,0,0,0|3,0,1]=4 3 B6R0.4 CC(=O)CCCBr CS-0103669 [1,0,0,0,0,0|1,0,1]=3 4 B6R0.4 CC(=O)NCCBr CS-0112060 [1,0,0,0,0,0|2,0,1]=4 5 B6R0.4 CC(=O)SCC#N CS-0110092 [1,0,0,0,0,0|2,0,1]=4 6 B6R0.4 CNCCC(=O)O CS-0112815 [1,0,0,0,0,0|1,0,0]=2 7 B8R0.9 C\C=C(C)\C=C\C(=O)O CS-0035764 [0,1,0,0,0,0|1,0,2]=4 8 B8R0.23 CC(C)CC(N)C(N)=O CS-0091401 [0,1,0,0,0,0|2,0,1]=4 9 B8R0.23 CC(C)N(C)CC(=O)O CS-0037772 [0,1,0,0,0,0|2,0,1]=4 10 B8R0.23 CC(C)[C@@H](N)CC(=O)O CS-0038681 [0,1,0,0,0,0|1,0,1]=3 11 B8R0.23 CC(C)[C@H](N)CC(=O)O CS-0038142 [0,1,0,0,0,0|1,0,1]=3 12 B8R0.23 CN(C)C[C@H](N)C(=O)O CS-0091615 [0,1,0,0,0,0|2,0,0]=3 13 B8R0.23 CN(CC(=O)O)C(N)=O CS-0067086 [0,1,0,0,0,0|2,0,0]=3 14 B8R0.23 C[C@@H](CC(=O)O)C(=O)O CS-0035659 [0,1,0,0,0,0|1,0,0]=2 15 B8R0.23 O=C(O)C[C@@H](O)C(=O)O CS-B0824 [0,1,0,0,0,0|1,0,0]=2 16 B8R0.29 CS(C)(=O)=NCC(=O)O CS-0046393 [0,1,0,0,0,0|2,0,0]=3 17 B8R1.3 CC1C=CC(=O)CC1 CS-0051212 [0,0,0,1,0,0|2,0,1]=4 18 B8R1.3 CC1CCC(=O)NC1 CS-0009361 [0,0,0,1,0,0|2,0,1]=4 19 B8R1.3 CN1C=CC(=O)CC1 CS-0067384 [0,0,0,1,0,0|3,0,0]=4 20 B8R1.3 NC1CCC(=O)CC1 CS-0106163 [0,0,0,1,0,0|2,0,1]=4 21 B8R1.3 NC1CCC(=O)NC1 CS-0050676 [0,0,0,1,0,0|2,0,1]=4 22 B8R1.3 N[C@@H]1CCC(=O)NC1 CS-0054409 [0,0,0,1,0,0|2,0,1]=4 23 B8R1.3 O=C1CCC(F)CC1 CS-0091730 [0,0,0,1,0,0|2,0,1]=4 24 B8R1.3 O=C1CCC(O)CC1 CS-D0911 [0,0,0,1,0,0|1,0,1]=3 25 B8R1.23 C=C1CC(C(=O)O)C1 CS-M1233 [0,0,0,1,0,0|1,0,0]=2 26 B8R1.23 CC(=O)C1CC(O)C1 CS-0052885 [0,0,0,1,0,0|1,0,1]=3 27 B8R1.23 C[C@H]1C[C@@H](C(=O)O)C1 CS-0045557 [0,0,0,1,0,0|1,0,1]=3 28 B8R1.23 C[C@H]1C[C@H](C(=O)O)C1 CS-0045556 [0,0,0,1,0,0|1,0,1]=3 29 B8R1.23 NC1CC(C(=O)O)C1 CS-0051537 [0,0,0,1,0,0|1,0,1]=3 30 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 CS-W022614 [0,0,0,1,0,0|1,0,1]=3 31 B8R1.23 N[C@H]1C[C@H](C(=O)O)C1 CS-0047792 [0,0,0,1,0,0|1,0,1]=3 32 B8R1.23 O=C(O)C1CC(F)C1 CS-0036337 [0,0,0,1,0,0|1,0,1]=3 33 B8R1.23 O=C(O)[C@H]1C[C@@H](F)C1 CS-0049707 [0,0,0,1,0,0|1,0,1]=3 34 B8R1.23 O=C(O)[C@H]1C[C@H](Cl)C1 CS-0047788 [0,0,0,1,0,0|1,0,1]=3 35 B8R1.23 O=C(O)[C@H]1C[C@H](F)C1 CS-0047785 [0,0,0,1,0,0|1,0,1]=3 36 B8R1.23 O=C1C[C@H](C(=O)O)N1 CS-0053483 [0,0,0,1,0,0|1,0,0]=2 37 B8R1.51 CC1(C)CCC(=O)O1 CS-0061120 [0,0,0,1,0,0|1,0,1]=3 38 B8R1.51 O=C1CCC(F)(F)C1 CS-0069562 [0,0,0,1,0,0|2,0,1]=4 39 B8R1.51 O=C1CCS(=O)(=O)C1 CS-0036770 [0,0,0,1,0,0|1,0,1]=3 40 B8R1.77 O=C(O)C1CC1(F)Cl CS-0054273 [0,0,0,1,0,0|2,0,1]=4 41 B8R1.77 O=C(O)[C@@H]1CC1(F)F CS-0053586 [0,0,0,1,0,0|2,0,1]=4 42 B8R1.77 O=C(O)[C@H]1CC1(F)F CS-0053638 [0,0,0,1,0,0|2,0,1]=4 43 B8R0.28 CC(C)CCCC(=O)O CS-0096310 [0,0,0,0,0,1|1,0,1]=3 44 B8R0.28 CN(C)C\C=C\C(=O)O CS-0091680 [0,0,0,0,0,1|2,0,1]=4 45 B8R0.28 O=C(O)\C=C\CC(=O)O CS-0106651 [0,0,0,0,0,1|1,0,1]=3 46 B5R0.1 CC(=O)NCO CS-0061075 [2,0,0,0,0,0|1,0,0]=3 47 B5R0.1 CC(=O)\C=N\O CS-0039829 [2,0,0,0,0,0|1,0,1]=4 48 B5R0.1 CCCC(=N)N CS-W013544 [2,0,0,0,0,0|2,0,0]=4 49 B5R0.1 O=C(O)CCF CS-0038385 [2,0,0,0,0,0|1,0,0]=3 50 B7R0.2 CN[C@H](C)CC(=O)O CS-0021843 [1,1,0,0,0,0|1,0,0]=3 51 B7R0.3 CCCOC(=O)OC CS-0111112 [1,1,0,0,0,0|1,0,1]=4 52 B7R0.3 COC(=O)CCC#N CS-W009546 [1,1,0,0,0,0|1,0,1]=4 53 B7R0.4 C=CCOCC(=O)O CS-0112199 [1,1,0,0,0,0|0,0,1]=3 54 B7R0.4 CC(=O)NCCCO CS-0037159 [1,1,0,0,0,0|0,0,1]=3 55 B7R0.4 NCCCCC(N)=O CS-0112084 [1,1,0,0,0,0|1,0,1]=4 56 B7R0.5 C=CCC(N)C(=O)O CS-0060001 [1,1,0,0,0,0|0,0,1]=3 57 B7R0.5 CC(=O)N(C)CCO CS-0112257 [1,1,0,0,0,0|1,0,1]=4 58 B7R0.5 NCCC(F)C(=O)O CS-0095010 [1,1,0,0,0,0|1,0,1]=4 59 B7R0.9 CP(C)(=O)CC(=O)O CS-0104669 [0,1,0,0,1,0|1,0,0]=3 60 B7R0.16 CC(C)[C@@H](Br)C(=O)O CS-W017175 [0,1,0,0,1,0|1,0,1]=4 61 B9R0.1 COC(=O)CCC[N+](=O)[O-] CS-0039131 [0,1,0,0,0,1|1,0,1]=4 62 B9R0.53 CC(C)C[C@@H](N)CC(=O)O CS-0038509 [0,1,0,0,0,1|1,0,1]=4 63 B9R0.53 CC(C)C[C@H](N)CC(=O)O CS-0036492 [0,1,0,0,0,1|1,0,1]=4 64 B9R0.53 CC(C)C[C@H](N)CC(=O)O CS-W008482 [0,1,0,0,0,1|1,0,1]=4 65 B9R0.21 COC(=O)CCS(N)(=O)=O CS-0093812 [0,2,0,0,0,0|1,0,1]=4 66 B9R0.23 C=C(NC(C)=O)C(=O)OC CS-D1354 [0,2,0,0,0,0|1,0,1]=4 67 B9R0.24 COC(=O)CCC(=O)OC CS-0015787 [0,2,0,0,0,0|0,0,0]=2 68 B9R0.48 CCOC(=O)CCC(C)=O CS-W011009 [0,2,0,0,0,0|0,0,0]=2 69 B9R0.10 CC(C)(C)[C@@H](N)CC(=O)O CS-0038704 [0,2,0,0,0,0|1,0,1]=4 70 B9R0.39 CC(C)C[C@@H](CN)C(=O)O CS-0061016 [0,2,0,0,0,0|1,0,1]=4 71 B9R0.39 CC(C)C[C@H](CN)C(=O)O CS-0061018 [0,2,0,0,0,0|1,0,1]=4 72 B9R0.57 CC(C)(C)C[C@@H](N)C(=O)O CS-0053492 [0,2,0,0,0,0|1,0,1]=4 73 B9R0.79 C[C@H](C(=O)O)[C@@H](C)C(=O)O CS-0037182 [0,2,0,0,0,0|1,0,0]=3 74 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O CS-0008116 [0,2,0,0,0,0|1,0,0]=3 75 B7R1.2 CC1=CC(=O)CO1 CS-0092875 [1,0,0,1,0,0|2,0,0]=4 76 B7R1.2 CC1CCC(=O)N1 CS-0046659 [1,0,0,1,0,0|1,0,1]=4 77 B7R1.2 C[C@@H]1CCC(=O)N1 CS-0046592 [1,0,0,1,0,0|1,0,1]=4 78 B7R1.2 O=C1CC(=O)NN1 CS-0111719 [1,0,0,1,0,0|2,0,0]=4 79 B7R1.2 O=C1CC(=O)ON1 CS-0068238 [1,0,0,1,0,0|2,0,0]=4 80 B7R1.2 O=C1CNC(=O)C1 CS-0048723 [1,0,0,1,0,0|1,0,0]=3 81 B7R1.3 O=C1NCCCO1 CS-0088044 [1,0,0,1,0,0|1,0,1]=4 82 B7R1.10 COC1CC(=O)N1 CS-0046571 [1,0,0,1,0,0|2,0,0]=4 83 B7R1.10 O=C1CC(CBr)C1 CS-0043859 [1,0,0,1,0,0|1,0,1]=4 84 B7R1.10 O=C1CC(CCl)C1 CS-0054362 [1,0,0,1,0,0|1,0,1]=4 85 B7R1.10 O=C1CC(CO)N1 CS-0051147 [1,0,0,1,0,0|1,0,1]=4 86 B7R1.12 C[C@@H]1C[C@@H]1C(=O)O CS-0055686 [1,0,0,1,0,0|0,0,1]=3 87 B7R1.12 C[C@@H]1C[C@H]1C(=O)O CS-0047824 [1,0,0,1,0,0|0,0,1]=3 88 B7R1.12 C[C@H]1C[C@@H]1C(=O)O CS-0089165 [1,0,0,1,0,0|0,0,1]=3 89 B7R1.12 NC1CC1C(=O)O CS-0067815 [1,0,0,1,0,0|1,0,1]=4 90 B7R1.12 O=C(O)[C@@H]1C[C@H]1F CS-0058705 [1,0,0,1,0,0|1,0,1]=4 91 B7R1.12 O=C(O)[C@H]1C[C@@H]1F CS-0053630 [1,0,0,1,0,0|1,0,1]=4 92 B7R1.12 [C@@H]1(C(=O)O)C[C@@H]1C CS-0049741 [1,0,0,1,0,0|0,0,1]=3 93 B7R1.17 CC1(C)CCC1=O CS-0045495 [1,0,0,1,0,0|1,0,1]=4 94 B7R1.18 CC(=O)C1CNC1 CS-0102262 [1,0,0,1,0,0|2,0,0]=4 95 B7R1.18 O=C(O)C1CSC1 CS-0045516 [1,0,0,1,0,0|1,0,0]=3 96 B7R1.20 NC(=O)CC1CC1 CS-0055986 [1,0,0,1,0,0|1,0,1]=4 97 B7R1.20 O=C(O)CC1CC1 CS-W011326 [1,0,0,1,0,0|0,0,1]=3 98 B7R1.20 O=C(O)CC1CO1 CS-0057155 [1,0,0,1,0,0|1,0,0]=3 99 B7R1.16 O=C1CS(=O)(=O)C1 CS-0091734 [0,0,0,1,1,0|1,0,1]=4 100 B9R1.35 CC(=O)N1CC[C@@H](O)C1 CS-0052712 [0,0,0,1,0,1|1,0,1]=4 101 B9R1.35 CN1CC[C@@H](C(=O)O)C1 CS-0054674 [0,0,0,1,0,1|2,0,0]=4 102 B9R1.35 CN1CC[C@H](C(=O)O)C1 CS-0053278 [0,0,0,1,0,1|2,0,0]=4 103 B9R1.35 C[C@@H]1CC[C@@H](C(=O)O)N1 CS-0053405 [0,0,0,1,0,1|1,0,1]=4 104 B9R1.35 C[C@@H]1CC[C@H](C(=O)O)O1 CS-0035602 [0,0,0,1,0,1|0,0,2]=4 105 B9R1.35 C[C@@H]1CN[C@H](C(=O)O)C1 CS-0089834 [0,0,0,1,0,1|1,0,1]=4 106 B9R1.35 NC(=O)C1CNC(=O)C1 CS-0036847 [0,0,0,1,0,1|1,0,0]=3 107 B9R1.35 NC1=N[C@@H](C(=O)O)CS1 CS-0112474 [0,0,0,1,0,1|2,0,0]=4 108 B9R1.35 NC1=N[C@H](C(=O)O)CS1 CS-0112654 [0,0,0,1,0,1|2,0,0]=4 109 B9R1.35 NC1CCC(C(=O)O)C1 CS-0051536 [0,0,0,1,0,1|1,0,1]=4 110 B9R1.35 N[C@@H]1CC[C@@H](C(=O)O)C1 CS-0058718 [0,0,0,1,0,1|1,0,1]=4 111 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 CS-0053615 [0,0,0,1,0,1|1,0,1]=4 112 B9R1.35 O=C(O)C1CCC(O)C1 CS-0112577 [0,0,0,1,0,1|0,0,2]=4 113 B9R1.35 O=C(O)[C@@H]1C[C@@H](F)CN1 CS-0058696 [0,0,0,1,0,1|1,0,1]=4 114 B9R1.35 O=C(O)[C@@H]1C[C@@H](S)CN1 CS-0053418 [0,0,0,1,0,1|0,1,1]=4 115 B9R1.35 O=C(O)[C@@H]1C[C@H](F)CN1 CS-0053410 [0,0,0,1,0,1|1,0,1]=4 116 B9R1.35 O=C(O)[C@@H]1C[C@H](F)CN1 CS-0058726 [0,0,0,1,0,1|1,0,1]=4 117 B9R1.35 O=C(O)[C@@H]1C[C@H](S)CN1 CS-0053409 [0,0,0,1,0,1|0,1,1]=4 118 B9R1.35 O=C(O)[C@H]1C[C@@H](F)CN1 CS-0053465 [0,0,0,1,0,1|1,0,1]=4 119 B9R1.35 O=C(O)[C@H]1C[C@H](F)CN1 CS-0001913 [0,0,0,1,0,1|1,0,1]=4 120 B9R1.35 O=C1CC(C(=O)O)CN1 CS-0050412 [0,0,0,1,0,1|0,0,0]=2 121 B9R1.35 O=C1CCC(C(=O)O)S1 CS-0050411 [0,0,0,1,0,1|1,0,0]=3 122 B9R1.35 O=C1CC[C@@H](C(=O)[O-])N1 CS-0112985 [0,0,0,1,0,1|1,0,1]=4 123 B9R1.35 O=C1CNC(C(=O)O)C1 CS-0050785 [0,0,0,1,0,1|0,0,0]=2 124 B9R1.35 O=C1C[C@H](C(=O)O)CN1 CS-0053257 [0,0,0,1,0,1|0,0,0]=2 125 B9R1.35 O=C1NCC(C(=O)O)N1 CS-0062204 [0,0,0,1,0,1|1,0,0]=3 126 B9R1.35 O=C1N[C@H](C(=O)O)CO1 CS-0099760 [0,0,0,1,0,1|1,0,0]=3 127 B9R1.53 CC(=O)OC1CC(=O)C1 CS-0045537 [0,0,0,1,0,1|1,0,0]=3 128 B9R1.53 NC1CC(CC(=O)O)C1 CS-0052288 [0,0,0,1,0,1|1,0,1]=4 129 B9R1.53 N[C@H]1C[C@@H](CC(=O)O)C1 CS-0049761 [0,0,0,1,0,1|1,0,1]=4 130 B9R1.53 O=C(O)CC1CC(=O)C1 CS-0040780 [0,0,0,1,0,1|0,0,0]=2 131 B9R1.161 NC(=O)C1CC1C(=O)O CS-0051983 [0,0,0,1,0,1|1,0,0]=3 132 B9R1.161 O=C(O)[C@@H]1C[C@H]1C(=O)O CS-0047742 [0,0,0,1,0,1|1,0,0]=3 133 B9R1.161 O=C(O)[C@H]1C[C@H]1C(=O)O CS-0053628 [0,0,0,1,0,1|1,0,0]=3 134 B9R1.166 CC1(C)CN[C@@H]1C(=O)O CS-0052346 [0,0,0,1,0,1|1,0,1]=4 135 B9R1.1 COC1CCC(=O)CC1 CS-W004809 [0,1,0,1,0,0|1,0,1]=4 136 B9R1.1 CON1CCC(=O)CC1 CS-0089291 [0,1,0,1,0,0|2,0,0]=4 137 B9R1.10 CC1(O)CCC(=O)CC1 CS-0091842 [0,1,0,1,0,0|1,0,1]=4 138 B9R1.69 CC1CCC(=O)NC1=O CS-0061420 [0,1,0,1,0,0|1,0,1]=4 139 B9R1.69 CC1OC(=O)COC1=O CS-0094968 [0,1,0,1,0,0|1,0,0]=3 140 B9R1.69 C[C@H]1NC(=O)CNC1=O CS-0046468 [0,1,0,1,0,0|2,0,0]=4 141 B9R1.69 O=C1CNC(=O)C(Br)N1 CS-0046475 [0,1,0,1,0,0|2,0,0]=4 142 B9R1.82 COC(=O)C1CC(Br)C1 CS-0049107 [0,1,0,1,0,0|1,0,1]=4 143 B9R1.82 COC(=O)[C@H]1C[C@@H](O)C1 CS-0043491 [0,1,0,1,0,0|0,0,2]=4 144 B9R1.82 COC(=O)[C@H]1C[C@H](Br)C1 CS-0048877 [0,1,0,1,0,0|1,0,1]=4 145 B9R1.82 COC(=O)[C@H]1C[C@H](N)C1 CS-0048879 [0,1,0,1,0,0|1,0,1]=4 146 B9R1.82 [C@H]1(O)C[C@H](C(=O)OC)C1 CS-W004965 [0,1,0,1,0,0|0,0,2]=4 147 B9R1.84 O=C(O)CCC1CCC1 CS-0060765 [0,1,0,1,0,0|1,0,1]=4 148 B9R1.95 COC1CC(C(=O)O)C1 CS-0051288 [0,1,0,1,0,0|0,0,2]=4 149 B9R1.95 CO[C@H]1C[C@@H](C(=O)O)C1 CS-0049699 [0,1,0,1,0,0|0,0,2]=4 150 B9R1.95 CO[C@H]1C[C@H](C(=O)O)C1 CS-0047777 [0,1,0,1,0,0|0,0,2]=4 151 B9R1.95 N#CC1CC(C(=O)O)C1 CS-0089280 [0,1,0,1,0,0|1,0,1]=4 152 B9R1.95 NCC1CC(C(=O)O)C1 CS-0045468 [0,1,0,1,0,0|1,0,1]=4 153 B9R1.95 NC[C@H]1C[C@@H](C(=O)O)C1 CS-0111671 [0,1,0,1,0,0|1,0,1]=4 154 B9R1.112 O=C(O)[C@H](O)CC1CC1 CS-0107195 [0,1,0,1,0,0|1,0,1]=4 155 B9R1.152 C=C1CC(C)(C(=O)O)C1 CS-0052448 [0,1,0,1,0,0|1,0,0]=3 156 B9R1.152 CC1(C(=O)O)CC(=O)C1 CS-0052446 [0,1,0,1,0,0|0,0,0]=2 157 B9R1.152 C[C@]1(C(=O)O)C[C@@H](N)C1 CS-0049718 [0,1,0,1,0,0|1,0,1]=4 158 B9R1.152 NC1(C(=O)O)CC(F)C1 CS-0052641 [0,1,0,1,0,0|1,0,1]=4 159 B9R1.152 NC1(C(=O)O)CC(O)C1 CS-0030063 [0,1,0,1,0,0|0,0,2]=4 160 B9R1.164 C[C@]1(F)C[C@@H](C(=O)O)C1 CS-0047787 [0,1,0,1,0,0|1,0,1]=4 161 B9R1.164 C[C@]1(F)C[C@@H](C(=O)O)C1 CS-0058641 [0,1,0,1,0,0|1,0,1]=4 162 B9R1.164 C[C@]1(O)C[C@@H](C(=O)O)C1 CS-0045466 [0,1,0,1,0,0|0,0,2]=4 163 B9R1.164 C[C@]1(O)C[C@@H](C(=O)O)C1 CS-0058634 [0,1,0,1,0,0|0,0,2]=4 164 B9R2.143 O=C(O)C1CC12CC2 CS-0048700 [0,0,0,2,0,0|1,0,1]=4 165 B5R0.5 O=C(O)C(=O)O CS-0089651 [0,0,0,0,2,0|1,0,0]=3