0 B8R0.8 C=C(C)C(=O)OCCN CS-0112263 [0,0,0,0,0,0|3,0,0]=3 1 B8R0.8 NCCC[C@H](O)C(=O)O CS-0105324 [0,0,0,0,0,0|2,0,2]=4 2 B7R0.3 CCCOC(=O)OC CS-0111112 [1,0,0,0,0,0|2,0,0]=3 3 B7R0.3 COC(=O)CCC#N CS-W009546 [1,0,0,0,0,0|2,0,1]=4 4 B7R0.4 CC(=O)NCCCO CS-0037159 [1,0,0,0,0,0|2,0,0]=3 5 B7R0.4 NCCCCC(N)=O CS-0112084 [1,0,0,0,0,0|2,0,1]=4 6 B7R0.5 CC(=O)N(C)CCO CS-0112257 [1,0,0,0,0,0|3,0,0]=4 7 B7R0.5 CCOC(=O)N(C)C CS-0112757 [1,0,0,0,0,0|3,0,0]=4 8 B7R0.5 CCOC(=O)[C@H](C)O CS-0096322 [1,0,0,0,0,0|1,0,2]=4 9 B7R0.5 CN(C)C(=O)CCN CS-0051534 [1,0,0,0,0,0|3,0,0]=4 10 B9R0.8 C=CCCC(=O)C(=O)OC CS-0106205 [0,1,0,0,0,0|0,0,2]=3 11 B9R0.8 CON(C)C(=O)CCCCl CS-0046358 [0,1,0,0,0,0|2,0,1]=4 12 B9R1.5 CC1CCNCCC1=O CS-0038168 [0,0,0,1,0,0|2,0,1]=4 13 B9R1.5 N[C@@H]1CCCCNC1=O CS-0112895 [0,0,0,1,0,0|2,0,1]=4 14 B9R1.6 CC(=O)N1CCCNC1 CS-0105445 [0,0,0,1,0,0|3,0,0]=4 15 B9R1.6 CC(=O)N1CCNCC1 CS-M1071 [0,0,0,1,0,0|3,0,0]=4 16 B9R1.6 O=C(O)C1CCCCN1 CS-0043825 [0,0,0,1,0,0|2,0,1]=4 17 B9R1.6 O=C(O)[C@@H]1CCCCO1 CS-0053085 [0,0,0,1,0,0|1,0,2]=4 18 B9R1.6 O=C(O)[C@H]1CCCCO1 CS-0053479 [0,0,0,1,0,0|1,0,2]=4 19 B9R1.23 CN1CC(CO)CC1=O CS-0051148 [0,0,0,1,0,0|3,0,0]=4 20 B9R1.23 CNC1CC(=O)N(C)C1 CS-0089623 [0,0,0,1,0,0|3,0,0]=4 21 B9R1.35 CC(=O)N1CC[C@@H](O)C1 CS-0052712 [0,0,0,1,0,0|3,0,0]=4 22 B9R1.35 C[C@@H]1CC[C@@H](C(=O)O)N1 CS-0053405 [0,0,0,1,0,0|2,0,1]=4 23 B9R1.35 C[C@@H]1CC[C@H](C(=O)O)O1 CS-0035602 [0,0,0,1,0,0|1,0,2]=4 24 B9R1.40 CC1(C)COCCC1=O CS-0051615 [0,0,0,1,0,0|2,0,1]=4 25 B9R1.69 CN1CC(N)CCC1=O CS-0050692 [0,0,0,1,0,0|3,0,0]=4 26 B9R1.69 CN1CCC(N)CC1=O CS-0051055 [0,0,0,1,0,0|3,0,0]=4 27 B9R1.69 C[C@H]1CN(C)C(=O)CN1 CS-0053137 [0,0,0,1,0,0|3,0,0]=4 28 B9R1.69 C[C@H]1CNC(=O)[C@H](C)N1 CS-0053221 [0,0,0,1,0,0|2,0,1]=4 29 B9R1.95 CC(=O)N1CC(CO)C1 CS-0099835 [0,0,0,1,0,0|3,0,0]=4 30 B9R1.110 CC(=O)N(C)C1CNC1 CS-0048843 [0,0,0,1,0,0|3,0,0]=4 31 B9R1.110 CN(C)C(=O)C1CNC1 CS-0048831 [0,0,0,1,0,0|3,0,0]=4 32 B9R1.110 NC(C(=O)O)C1CCC1 CS-D0530 [0,0,0,1,0,0|2,0,1]=4 33 B9R1.110 N[C@@H](C(=O)O)C1CCC1 CS-0053495 [0,0,0,1,0,0|2,0,1]=4 34 B9R1.110 O=C(O)[C@@H](O)C1CCC1 CS-0108590 [0,0,0,1,0,0|1,0,2]=4 35 B9R1.112 O=C(O)[C@H](O)CC1CC1 CS-0107195 [0,0,0,1,0,0|1,0,2]=4 36 B9R1.163 O=C(O)C1(O)CCCC1 CS-W006221 [0,0,0,1,0,0|1,0,2]=4 37 B6R0.4 CC(=O)CCCBr CS-0103669 [2,0,0,0,0,0|1,0,0]=3 38 B6R0.4 CC(=O)NCCBr CS-0112060 [2,0,0,0,0,0|2,0,0]=4 39 B6R0.4 CNCCC(=O)O CS-0112815 [2,0,0,0,0,0|1,0,1]=4 40 B6R0.3 CNC(=O)C(=O)O CS-0113142 [2,0,0,0,0,0|2,0,0]=4 41 B8R0.6 C=CCCCC(=O)OC CS-0015919 [1,1,0,0,0,0|1,0,1]=4 42 B8R0.6 CNCCCC(=O)OC CS-0112438 [1,1,0,0,0,0|1,0,0]=3 43 B8R0.28 CC(C)CCCC(=O)O CS-0096310 [1,1,0,0,0,0|1,0,1]=4 44 B8R0.2 CC[C@H](N)C(=O)N(C)C CS-0094767 [1,1,0,0,0,0|2,0,0]=4 45 B10R0.6 CC(=O)CC(=O)OCCC#N CS-0088550 [0,1,0,0,0,1|1,0,1]=4 46 B10R0.32 CCOC(=O)C(=O)CC(C)=O CS-0007580 [0,1,0,0,0,1|1,0,1]=4 47 B10R0.13 C=C(C)C(=O)[C@@H](N)CC(C)C CS-M2718 [0,2,0,0,0,0|1,0,0]=3 48 B8R1.1 CCC1CCC(=O)N1 CS-0046651 [1,0,0,1,0,0|1,0,1]=4 49 B8R1.1 CCC1CNC(=O)C1 CS-0046666 [1,0,0,1,0,0|1,0,0]=3 50 B8R1.1 CC[C@H]1COC(=O)N1 CS-0093963 [1,0,0,1,0,0|2,0,0]=4 51 B8R1.1 NCC1CNC(=O)C1 CS-0051184 [1,0,0,1,0,0|2,0,0]=4 52 B8R1.1 NC[C@@H]1CNC(=O)C1 CS-0053189 [1,0,0,1,0,0|2,0,0]=4 53 B8R1.1 NC[C@@H]1CNC(=O)C1 CS-0053190 [1,0,0,1,0,0|2,0,0]=4 54 B8R1.1 NC[C@H]1CNC(=O)C1 CS-0053176 [1,0,0,1,0,0|2,0,0]=4 55 B8R1.1 NC[C@H]1CNC(=O)C1 CS-0053177 [1,0,0,1,0,0|2,0,0]=4 56 B8R1.1 O=C1CC(CO)CN1 CS-0046664 [1,0,0,1,0,0|2,0,0]=4 57 B8R1.1 O=C1CC(CO)CO1 CS-0037642 [1,0,0,1,0,0|2,0,0]=4 58 B8R1.2 O=CN1CCCCC1 CS-W016610 [1,0,0,1,0,0|2,0,0]=4 59 B8R1.3 CC1C=CC(=O)CC1 CS-0051212 [1,0,0,1,0,0|0,0,1]=3 60 B8R1.3 CC1CCC(=O)NC1 CS-0009361 [1,0,0,1,0,0|1,0,0]=3 61 B8R1.3 CN1C=CC(=O)CC1 CS-0067384 [1,0,0,1,0,0|1,0,1]=4 62 B8R1.3 C[C@@H]1CNC(=O)CN1 CS-0058677 [1,0,0,1,0,0|2,0,0]=4 63 B8R1.3 C[C@H]1CNC(=O)CN1 CS-0053133 [1,0,0,1,0,0|2,0,0]=4 64 B8R1.3 NC1CCC(=O)CC1 CS-0106163 [1,0,0,1,0,0|1,0,1]=4 65 B8R1.3 NC1CCC(=O)NC1 CS-0050676 [1,0,0,1,0,0|2,0,0]=4 66 B8R1.3 N[C@@H]1CCC(=O)NC1 CS-0054409 [1,0,0,1,0,0|2,0,0]=4 67 B8R1.3 O=C1CCC(F)CC1 CS-0091730 [1,0,0,1,0,0|1,0,1]=4 68 B8R1.3 O=C1CCC(O)CC1 CS-D0911 [1,0,0,1,0,0|1,0,1]=4 69 B8R1.5 CC1CNCCC1=O CS-D0300 [1,0,0,1,0,0|1,0,1]=4 70 B8R1.5 CN1CCNCC1=O CS-0052424 [1,0,0,1,0,0|2,0,0]=4 71 B8R1.5 O=C1CCCCC1F CS-0040502 [1,0,0,1,0,0|1,0,1]=4 72 B8R1.22 O=C1COCCCN1 CS-0037454 [1,0,0,1,0,0|2,0,0]=4 73 B8R1.38 CNC(=O)C1CCC1 CS-0104834 [1,0,0,1,0,0|1,0,0]=3 74 B8R1.38 COC(=O)[C@@H]1CCN1 CS-0049286 [1,0,0,1,0,0|2,0,0]=4 75 B8R1.38 COC(=O)[C@H]1CCN1 CS-0049295 [1,0,0,1,0,0|2,0,0]=4 76 B8R1.40 COC(=O)CC1CC1 CS-0112851 [1,0,0,1,0,0|1,0,0]=3 77 B8R1.4 CC1CC(=O)CCN1 CS-0012636 [1,0,0,1,0,0|1,0,1]=4 78 B8R1.4 CC1CC(=O)CCN1 CS-0080309 [1,0,0,1,0,0|1,0,1]=4 79 B8R1.4 CC1CCOC(=O)O1 CS-0062234 [1,0,0,1,0,0|2,0,0]=4 80 B8R1.4 C[C@@H]1CC(=O)CCN1 CS-0053488 [1,0,0,1,0,0|1,0,1]=4 81 B8R1.4 C[C@H]1CC(=O)CCN1 CS-0053434 [1,0,0,1,0,0|1,0,1]=4 82 B8R1.4 C[C@H]1CC(=O)CCN1 CS-0053435 [1,0,0,1,0,0|1,0,1]=4 83 B8R1.4 NC1CCNC(=O)C1 CS-0051036 [1,0,0,1,0,0|2,0,0]=4 84 B8R1.4 NC1CCNC(=O)C1 CS-0062156 [1,0,0,1,0,0|2,0,0]=4 85 B8R1.4 O=C1CCCC(O)C1 CS-0051335 [1,0,0,1,0,0|1,0,1]=4 86 B8R1.4 O=C1C[C@H](O)CCN1 CS-0105946 [1,0,0,1,0,0|2,0,0]=4 87 B8R1.6 CCOC1CC(=O)C1 CS-0091770 [1,0,0,1,0,0|1,0,1]=4 88 B8R1.34 O=C(O)C=C1CCC1 CS-0045555 [1,0,0,1,0,0|1,0,1]=4 89 B8R1.35 O=C(O)\C=C\C1CC1 CS-0062478 [1,0,0,1,0,0|1,0,1]=4 90 B8R1.54 CC(Br)C(=O)C1CC1 CS-0052008 [1,0,0,1,0,0|1,0,1]=4 91 B10R1.23 CC(=O)N(C)C1CCNC1 CS-0048798 [0,1,0,1,0,0|2,0,0]=4 92 B10R1.23 CC(=O)N(C)[C@@H]1CCNC1 CS-0048793 [0,1,0,1,0,0|2,0,0]=4 93 B10R1.23 CC(=O)N(C)[C@H]1CCNC1 CS-0048788 [0,1,0,1,0,0|2,0,0]=4 94 B10R1.23 CN(C)C(=O)[C@H]1CCCN1 CS-0053481 [0,1,0,1,0,0|2,0,0]=4 95 B10R1.23 C[C@H](O)C(=O)N1CCCC1 CS-0059827 [0,1,0,1,0,0|0,0,2]=4 96 B10R1.275 O=C1CCCCC(O)=C1F CS-0051906 [0,1,0,1,0,0|1,0,1]=4 97 B10R1.301 CC1CCCC(C)(C)C1=O CS-0113167 [0,1,0,1,0,0|1,0,1]=4 98 B10R1.13 CC(=O)N1CCC(Br)CC1 CS-0038702 [0,1,0,1,0,0|2,0,0]=4 99 B10R1.14 COC(=O)[C@H]1CC[C@@H](C)N1 CS-0098427 [0,1,0,1,0,0|1,0,1]=4 100 B10R1.15 COC(=O)C1=CCOCC1 CS-0049135 [0,1,0,1,0,0|2,0,0]=4 101 B10R1.15 COC(=O)C1=CNCCC1 CS-0049262 [0,1,0,1,0,0|2,0,0]=4 102 B10R1.15 COC(=O)C1CCCCC1 CS-W007704 [0,1,0,1,0,0|1,0,1]=4 103 B10R1.176 CN1CCC(CN)CC1=O CS-0051189 [0,1,0,1,0,0|2,0,0]=4 104 B10R1.176 CN1CCC(CO)CC1=O CS-0051149 [0,1,0,1,0,0|2,0,0]=4 105 B10R1.182 COC(=O)[C@H](N)C1CCC1 CS-D0198 [0,1,0,1,0,0|1,0,1]=4 106 B10R1.411 COC(=O)C1(Br)CCCC1 CS-0038233 [0,1,0,1,0,0|1,0,1]=4 107 B10R1.411 COC(=O)C1(C)CCCC1 CS-0089153 [0,1,0,1,0,0|1,0,1]=4 108 B10R1.31 CC(=O)N1CCC(CO)C1 CS-0052677 [0,1,0,1,0,0|2,0,0]=4 109 B10R1.113 CC(=O)N1CCNC(C)C1 CS-0108663 [0,1,0,1,0,0|2,0,0]=4 110 B10R1.113 CC(=O)N1CCN[C@H](C)C1 CS-0100767 [0,1,0,1,0,0|2,0,0]=4 111 B10R1.363 CC(=O)C1(C)CCOCC1 CS-0052871 [0,1,0,1,0,0|1,0,1]=4 112 B10R2.178 O=C1CCC2CCC1N2 CS-0049978 [0,0,0,2,0,0|1,0,1]=4 113 B10R2.3 O=C1CCC12CCCC2 CS-0067367 [0,0,0,2,0,0|1,0,1]=4 114 B10R2.485 O=C(CC1CC1)C2CC2 CS-0052754 [0,0,0,2,0,0|1,0,1]=4