0 B7R0.6 C=C(Br)CNC(C)=O CS-0106982 [0,0,0,0,0,0|4,0,0]=4 1 B7R0.6 CC(C)\C=C\[N+](=O)[O-] CS-0037831 [0,0,0,0,0,0|1,0,3]=4 2 B7R0.6 C[C@@H](N)CCC(=O)O CS-0093985 [0,0,0,0,0,0|1,0,2]=3 3 B7R0.6 O=C(O)COC(F)F CS-0102315 [0,0,0,0,0,0|3,0,1]=4 4 B7R0.6 O=C(O)\C=C\C(F)F CS-0089044 [0,0,0,0,0,0|2,0,2]=4 5 B6R0.4 CNCCC(=O)O CS-0112815 [1,0,0,0,0,0|1,0,1]=3 6 B6R0.4 O=C(O)\C=C\CBr CS-0020044 [1,0,0,0,0,0|1,0,2]=4 7 B8R0.9 COC(=O)\C=C\C(C)C CS-0113137 [0,1,0,0,0,0|0,0,2]=3 8 B8R0.9 COC(=O)\C=C\C(C)C CS-0113139 [0,1,0,0,0,0|0,0,2]=3 9 B8R0.9 C\C=C(C)\C=C\C(=O)O CS-0035764 [0,1,0,0,0,0|0,0,1]=2 10 B8R0.23 CC(C)CC(N)C(N)=O CS-0091401 [0,1,0,0,0,0|1,0,2]=4 11 B8R0.23 CC(C)N(C)CC(=O)O CS-0037772 [0,1,0,0,0,0|1,0,1]=3 12 B8R0.23 CC(C)[C@@H](N)CC(=O)O CS-0038681 [0,1,0,0,0,0|0,0,2]=3 13 B8R0.23 CC(C)[C@H](N)CC(=O)O CS-0038142 [0,1,0,0,0,0|0,0,2]=3 14 B8R0.23 CN(C)C[C@H](N)C(=O)O CS-0091615 [0,1,0,0,0,0|1,0,1]=3 15 B8R0.23 CN(CC(=O)O)C(N)=O CS-0067086 [0,1,0,0,0,0|3,0,0]=4 16 B8R0.23 C[C@@H](CC(=O)O)C(=O)O CS-0035659 [0,1,0,0,0,0|2,0,1]=4 17 B8R0.23 O=C(O)C[C@@H](O)C(=O)O CS-B0824 [0,1,0,0,0,0|2,0,1]=4 18 B8R0.29 CS(C)(=O)=NCC(=O)O CS-0046393 [0,1,0,0,0,0|2,0,0]=3 19 B8R0.29 C[Si](C)(C)C#CC(=O)O CS-W018277 [0,1,0,0,0,0|0,1,2]=4 20 B8R1.3 CC1=CN=C(O)N=C1 CS-0061359 [0,0,0,1,0,0|2,0,1]=4 21 B8R1.3 CC1=CNC(=O)N=C1 CS-0021071 [0,0,0,1,0,0|2,0,1]=4 22 B8R1.3 CC1=NN=C(O)C=C1 CS-0050159 [0,0,0,1,0,0|2,0,1]=4 23 B8R1.3 CC1C=CC(=O)CC1 CS-0051212 [0,0,0,1,0,0|1,0,2]=4 24 B8R1.3 CC1CCC(=O)NC1 CS-0009361 [0,0,0,1,0,0|1,0,2]=4 25 B8R1.3 CN1C=CC(=O)CC1 CS-0067384 [0,0,0,1,0,0|2,0,1]=4 26 B8R1.3 C[C@@H]1CNC(=O)CN1 CS-0058677 [0,0,0,1,0,0|2,0,1]=4 27 B8R1.3 C[C@H]1CNC(=O)CN1 CS-0053133 [0,0,0,1,0,0|2,0,1]=4 28 B8R1.23 C=C1CC(C(=O)O)C1 CS-M1233 [0,0,0,1,0,0|0,0,2]=3 29 B8R1.23 C[C@H]1C[C@@H](C(=O)O)C1 CS-0045557 [0,0,0,1,0,0|0,0,2]=3 30 B8R1.23 C[C@H]1C[C@H](C(=O)O)C1 CS-0045556 [0,0,0,1,0,0|0,0,2]=3 31 B8R1.23 NC1CC(C(=O)O)C1 CS-0051537 [0,0,0,1,0,0|1,0,2]=4 32 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 CS-W022614 [0,0,0,1,0,0|1,0,2]=4 33 B8R1.23 N[C@H]1C[C@H](C(=O)O)C1 CS-0047792 [0,0,0,1,0,0|1,0,2]=4 34 B8R1.23 O=C(O)C1CC(F)C1 CS-0036337 [0,0,0,1,0,0|1,0,2]=4 35 B8R1.23 O=C(O)[C@H]1C[C@@H](F)C1 CS-0049707 [0,0,0,1,0,0|1,0,2]=4 36 B8R1.23 O=C(O)[C@H]1C[C@H](Cl)C1 CS-0047788 [0,0,0,1,0,0|1,0,2]=4 37 B8R1.23 O=C(O)[C@H]1C[C@H](F)C1 CS-0047785 [0,0,0,1,0,0|1,0,2]=4 38 B8R1.23 O=C1C[C@H](C(=O)O)N1 CS-0053483 [0,0,0,1,0,0|2,0,0]=3 39 B8R1.35 O=C(O)\C=C\C1CC1 CS-0062478 [0,0,0,1,0,0|0,0,2]=3 40 B8R1.51 CC1(C)C=CC(=O)C1 CS-0061115 [0,0,0,1,0,0|1,0,2]=4 41 B8R1.51 CC1(C)CCC(=O)O1 CS-0061120 [0,0,0,1,0,0|0,0,2]=3 42 B8R0.28 CC(C)CCCC(=O)O CS-0096310 [0,0,0,0,0,1|0,0,2]=3 43 B8R0.28 CN(C)C\C=C\C(=O)O CS-0091680 [0,0,0,0,0,1|1,0,1]=3 44 B8R0.28 CN(C)C\C=C\C(N)=O CS-0067381 [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|2,0,0]=3 46 B5R0.1 CC(=O)NCO CS-0061075 [2,0,0,0,0,0|2,0,0]=4 47 B5R0.1 CC(=O)\C=N\O CS-0039829 [2,0,0,0,0,0|2,0,0]=4 48 B5R0.1 C\C=C\B(O)O CS-0086306 [2,0,0,0,0,0|1,0,1]=4 49 B5R0.1 O=C(O)CCF CS-0038385 [2,0,0,0,0,0|1,0,1]=4 50 B7R0.2 CN[C@H](C)CC(=O)O CS-0021843 [1,1,0,0,0,0|1,0,1]=4 51 B7R0.4 C=CCOCC(=O)O CS-0112199 [1,1,0,0,0,0|0,0,2]=4 52 B7R0.5 C=CCC(N)C(=O)O CS-0060001 [1,1,0,0,0,0|0,0,2]=4 53 B7R0.9 CP(C)(=O)CC(=O)O CS-0104669 [0,1,0,0,1,0|1,0,0]=3 54 B7R0.16 CC(C)[C@@H](Br)C(=O)O CS-W017175 [0,1,0,0,1,0|0,0,1]=3 55 B9R0.53 CC(C)C[C@@H](N)CC(=O)O CS-0038509 [0,1,0,0,0,1|0,0,2]=4 56 B9R0.53 CC(C)C[C@H](N)CC(=O)O CS-0036492 [0,1,0,0,0,1|0,0,2]=4 57 B9R0.53 CC(C)C[C@H](N)CC(=O)O CS-W008482 [0,1,0,0,0,1|0,0,2]=4 58 B9R0.24 COC(=O)CCC(=O)OC CS-0015787 [0,2,0,0,0,0|1,0,1]=4 59 B9R0.48 CCOC(=O)CCC(C)=O CS-W011009 [0,2,0,0,0,0|1,0,1]=4 60 B9R0.10 CC(C)(C)[C@@H](N)CC(=O)O CS-0038704 [0,2,0,0,0,0|0,0,2]=4 61 B9R0.39 CC(C)C[C@@H](CN)C(=O)O CS-0061016 [0,2,0,0,0,0|0,0,2]=4 62 B9R0.39 CC(C)C[C@H](CN)C(=O)O CS-0061018 [0,2,0,0,0,0|0,0,2]=4 63 B9R0.57 CC(C)(C)C[C@@H](N)C(=O)O CS-0053492 [0,2,0,0,0,0|0,0,2]=4 64 B7R1.2 CC1=CC(=O)CO1 CS-0092875 [1,0,0,1,0,0|1,0,1]=4 65 B7R1.2 CC1=CN=C(N)O1 CS-0036211 [1,0,0,1,0,0|2,0,0]=4 66 B7R1.2 O=C1CNC(=O)C1 CS-0048723 [1,0,0,1,0,0|2,0,0]=4 67 B7R1.3 O=C1C=CCCO1 CS-0037765 [1,0,0,1,0,0|0,0,2]=4 68 B7R1.12 C[C@@H]1C[C@@H]1C(=O)O CS-0055686 [1,0,0,1,0,0|0,0,2]=4 69 B7R1.12 C[C@@H]1C[C@H]1C(=O)O CS-0047824 [1,0,0,1,0,0|0,0,2]=4 70 B7R1.12 C[C@H]1C[C@@H]1C(=O)O CS-0089165 [1,0,0,1,0,0|0,0,2]=4 71 B7R1.12 [C@@H]1(C(=O)O)C[C@@H]1C CS-0049741 [1,0,0,1,0,0|0,0,2]=4 72 B7R1.17 CC1(C)CCC1=O CS-0045495 [1,0,0,1,0,0|0,0,2]=4 73 B7R1.18 O=C(O)C1CSC1 CS-0045516 [1,0,0,1,0,0|1,0,1]=4 74 B7R1.20 O=C(O)CC1CC1 CS-W011326 [1,0,0,1,0,0|0,0,2]=4 75 B7R1.20 O=C(O)CC1CO1 CS-0057155 [1,0,0,1,0,0|1,0,1]=4 76 B7R1.16 CC1(C)CC(=O)N1 CS-0046669 [0,0,0,1,1,0|1,0,1]=4 77 B9R1.35 CN1CC[C@@H](C(=O)O)C1 CS-0054674 [0,0,0,1,0,1|1,0,1]=4 78 B9R1.35 CN1CC[C@H](C(=O)O)C1 CS-0053278 [0,0,0,1,0,1|1,0,1]=4 79 B9R1.35 C[C@@H]1CN[C@H](C(=O)O)C1 CS-0089834 [0,0,0,1,0,1|0,0,2]=4 80 B9R1.35 O=C1CC(C(=O)O)CN1 CS-0050412 [0,0,0,1,0,1|1,0,1]=4 81 B9R1.35 O=C1CNC(C(=O)O)C1 CS-0050785 [0,0,0,1,0,1|1,0,1]=4 82 B9R1.35 O=C1C[C@H](C(=O)O)CN1 CS-0053257 [0,0,0,1,0,1|1,0,1]=4 83 B9R1.53 O=C(O)CC1CC(=O)C1 CS-0040780 [0,0,0,1,0,1|1,0,1]=4 84 B9R1.166 CC1(C)CN[C@@H]1C(=O)O CS-0052346 [0,0,0,1,0,1|0,0,2]=4 85 B9R1.69 CC1OC(=O)COC1=O CS-0094968 [0,1,0,1,0,0|2,0,0]=4 86 B9R1.84 O=C(O)CCC1CCC1 CS-0060765 [0,1,0,1,0,0|0,0,2]=4 87 B9R1.95 COC1CC(C(=O)O)C1 CS-0051288 [0,1,0,1,0,0|0,0,2]=4 88 B9R1.95 CO[C@H]1C[C@@H](C(=O)O)C1 CS-0049699 [0,1,0,1,0,0|0,0,2]=4 89 B9R1.95 CO[C@H]1C[C@H](C(=O)O)C1 CS-0047777 [0,1,0,1,0,0|0,0,2]=4 90 B9R1.95 NCC1CC(C(=O)O)C1 CS-0045468 [0,1,0,1,0,0|0,0,2]=4 91 B9R1.95 NC[C@H]1C[C@@H](C(=O)O)C1 CS-0111671 [0,1,0,1,0,0|0,0,2]=4 92 B9R1.38 CC1(C)NC(=O)CC1=O CS-0046425 [0,1,0,1,0,0|1,0,1]=4 93 B9R1.38 CC1(C)OC(=O)C=C1N CS-0091991 [0,1,0,1,0,0|0,0,2]=4 94 B9R1.38 CC1(C)OC(=O)C=C1O CS-0062233 [0,1,0,1,0,0|0,0,2]=4 95 B9R1.38 CC1=CC(=O)OC1(C)C CS-0093760 [0,1,0,1,0,0|0,0,2]=4 96 B9R1.112 O=C(O)[C@H](O)CC1CC1 CS-0107195 [0,1,0,1,0,0|0,0,2]=4 97 B9R1.152 C=C1CC(C)(C(=O)O)C1 CS-0052448 [0,1,0,1,0,0|0,0,2]=4 98 B9R1.152 CC1(C(=O)O)CC(=O)C1 CS-0052446 [0,1,0,1,0,0|1,0,1]=4 99 B9R1.164 CC1(C)C=C(C(=O)O)C1 CS-0051617 [0,1,0,1,0,0|0,0,2]=4 100 B9R1.164 C[C@]1(F)C[C@@H](C(=O)O)C1 CS-0047787 [0,1,0,1,0,0|0,0,2]=4 101 B9R1.164 C[C@]1(F)C[C@@H](C(=O)O)C1 CS-0058641 [0,1,0,1,0,0|0,0,2]=4 102 B9R1.164 C[C@]1(O)C[C@@H](C(=O)O)C1 CS-0045466 [0,1,0,1,0,0|0,0,2]=4 103 B9R1.164 C[C@]1(O)C[C@@H](C(=O)O)C1 CS-0058634 [0,1,0,1,0,0|0,0,2]=4 104 B9R2.143 O=C(O)C1CC12CC2 CS-0048700 [0,0,0,2,0,0|0,0,2]=4 105 B5R0.5 O=C(O)C(=O)O CS-0089651 [0,0,0,0,2,0|2,0,0]=4