0 B10R1.15 CNC(=O)C1CCCNC1 4H48-1-VU [0,0,0,0,0,0|2,0,0]=2 1 B10R1.15 COC(=O)C1=CCOCC1 2H23-1-62 [0,0,0,0,0,0|1,0,2]=3 2 B10R1.15 COC(=O)C1=CNCCC1 4H58-1-488 [0,0,0,0,0,0|1,0,2]=3 3 B10R1.15 COC(=O)N1CCOCC1 4H56-1-0H8 [0,0,0,0,0,0|2,0,0]=2 4 B10R1.15 COC(=O)[C@@H]1CNCCO1 4H58-5-BJ [0,0,0,0,0,0|2,0,0]=2 5 B10R1.15 COC(=O)[C@@H]1COCCN1 4H58-5-S6 [0,0,0,0,0,0|2,0,0]=2 6 B10R1.15 COC(=O)[C@H]1CNCCO1 4H58-5-BH [0,0,0,0,0,0|2,0,0]=2 7 B10R1.15 COC(=O)[C@H]1COCCN1 4H58-5-R6 [0,0,0,0,0,0|2,0,0]=2 8 B10R1.15 CSC(=S)N1CCOCC1 8H67-1-52 [0,0,0,0,0,0|2,2,0]=4 9 B10R1.15 N[C@H](CO)C1CCCCC1 4256-1-37 [0,0,0,0,0,0|3,0,1]=4 10 B9R1.6 O=C(Cl)C1CCNCC1 4H16-5-0C [1,0,0,0,0,0|2,0,0]=3 11 B9R1.6 O=C(O)C1=CCOCC1 2H21-1-13 [1,0,0,0,0,0|1,0,2]=4 12 B9R1.6 O=C(O)C1CNCCS1 8H70-1-36 [1,0,0,0,0,0|2,0,0]=3 13 B9R1.8 CCC[C@@H]1CCCCN1 3H31-5-RD [1,0,0,0,0,0|2,0,1]=4 14 B9R1.8 CCC[C@H]1CCCCN1 3H31-5-SD [1,0,0,0,0,0|2,0,1]=4 15 B9R1.8 COCC1CNCCO1 4H07-5-1A [1,0,0,0,0,0|2,0,1]=4 16 B9R1.8 COCC1COCCN1 4H56-5-DP [1,0,0,0,0,0|2,0,1]=4 17 B9R1.8 COC[C@@H]1CNCCO1 4H56-5-SJ [1,0,0,0,0,0|2,0,1]=4 18 B9R1.8 COC[C@@H]1COCCN1 4H56-5-RT [1,0,0,0,0,0|2,0,1]=4 19 B9R1.8 COC[C@H]1CNCCO1 4H56-5-RJ [1,0,0,0,0,0|2,0,1]=4 20 B9R1.8 COC[C@H]1COCCN1 4H56-5-ST [1,0,0,0,0,0|2,0,1]=4 21 B11R1.16 CCOC(=O)C1CNCCS1 8H23-1-0K [0,1,0,0,0,0|2,0,0]=3 22 B11R1.16 N#CCC(=O)C1CCOCC1 3H37-1-5Z [0,1,0,0,0,0|2,0,1]=4 23 B11R1.16 NC(CCO)C1CCCCC1 4256-5-25 [0,1,0,0,0,0|2,0,1]=4 24 B11R1.22 CCC(C)C1CCC(N)CC1 3230-1-0F [0,1,0,0,0,0|2,0,1]=4 25 B11R1.22 CN1CCC(C(=O)NN)CC1 4H56-1-0B0 [0,1,0,0,0,0|3,0,0]=4 26 B11R1.22 COC(=O)C1=CCN(C)CC1 4H58-1-101 [0,1,0,0,0,0|1,0,2]=4 27 B11R1.22 COC(=O)C1CC=C(C)CC1 2423-1-13 [0,1,0,0,0,0|0,0,2]=3 28 B11R1.22 COC(=O)C1CCC(C)NC1 4H23-1-8J [0,1,0,0,0,0|1,0,0]=2 29 B11R1.22 COC(=O)[C@@H]1CC[C@H](C)NC1 4H58-1-UJ [0,1,0,0,0,0|1,0,0]=2 30 B11R1.23 COC(=O)C1CNCC(C)C1 4H23-5-2B [0,1,0,0,0,0|1,0,0]=2 31 B11R1.36 FC(F)=C(F)C1CCCCC1 1400-3-06 [0,1,0,0,0,0|3,0,0]=4 32 B11R1.222 COC(=O)C1CCCNC1C 4H23-1-8G [0,1,0,0,0,0|1,0,0]=2 33 B11R1.878 COC(=O)C1(C)CCCNC1 4H23-5-2A [0,1,0,0,0,0|1,0,0]=2 34 B11R1.878 COC(=O)C1(C)COCCN1 4H58-5-3W [0,1,0,0,0,0|2,0,0]=3 35 B11R1.878 COC(=O)C1(F)CCOCC1 2H23-3-23 [0,1,0,0,0,0|1,0,0]=2 36 B11R1.878 COC(=O)C1(N)CCNCC1 4H58-5-9Z [0,1,0,0,0,0|1,0,0]=2 37 B9R0.46 COC(=O)CCCN=[N+]=[N-] 4142-1-00 [0,0,1,0,0,0|3,0,0]=4 38 B11R2.1 O=C1NCC2CCNCC12 4H48-1-BK [0,0,0,1,0,0|2,0,0]=3 39 B11R2.1 [C@@H]12CCC(=O)N1CCNC2 4H48-1-S6 [0,0,0,1,0,0|3,0,0]=4 40 B11R2.1 [C@H]12CCC(=O)N1CCNC2 4H48-1-R7 [0,0,0,1,0,0|3,0,0]=4 41 B11R2.12 O=C1CCC12CCCCC2 2217-1-0F [0,0,0,1,0,0|1,0,0]=2 42 B11R2.12 O=C1NCC12CCCNC2 4H48-1-016 [0,0,0,1,0,0|2,0,0]=3 43 B11R2.12 OC1CCC12CCCCC2 2202-1-0D [0,0,0,1,0,0|1,0,2]=4 44 B11R2.914 COC(=O)C1CC2OC2C1 2223-1-0P [0,0,0,1,0,0|1,0,0]=2 45 B9R1.11 CNC(=O)C1CCNC1 4H48-5-FZ [0,0,0,0,1,0|2,0,0]=3 46 B9R1.11 CNC(=O)[C@@H]1CCCN1 4H48-5-SF [0,0,0,0,1,0|2,0,0]=3 47 B9R1.11 COC(=O)[C@@H]1CCCO1 2H23-1-S2 [0,0,0,0,1,0|1,0,0]=2 48 B11R1.40 COC(=O)C=C1CCCCC1 2323-1-0N [0,0,0,0,0,1|0,0,1]=2 49 B11R1.40 COC(=O)C[C@H]1CCCNC1 4H58-5-CC [0,0,0,0,0,1|1,0,0]=2 50 B11R1.852 COC(=O)C1=CCCCCC1 2423-1-06 [0,0,0,0,0,1|0,0,1]=2 51 B8R0.3 CCCC(Br)C(=O)OC 2123-9-0L [1,0,1,0,0,0|1,0,0]=3 52 B8R0.3 CCC[C@@H](N)C(=O)OC 4158-1-R00 [1,0,1,0,0,0|1,0,0]=3 53 B8R0.6 CCCSCC(=O)OC 6166-1-0C [1,0,1,0,0,0|1,0,0]=3 54 B8R0.6 CNCCCC(=O)OC 4133-5-00 [1,0,1,0,0,0|1,0,0]=3 55 B8R0.6 COC(=O)OCCCF 2128-3-97 [1,0,1,0,0,0|2,0,0]=4 56 B8R0.7 C=C(C)CCCCCC 1300-1-30 [1,0,1,0,0,0|1,0,0]=3 57 B8R0.7 CC#CCCCC(=O)O 2521-1-09 [1,0,1,0,0,0|0,0,2]=4 58 B8R0.7 NOCCCCC(=O)O 4121-9-01 [1,0,1,0,0,0|2,0,0]=4 59 B8R1.2 CC[C@@H]1CCCCN1 3H31-5-RC [2,0,0,0,0,0|1,0,1]=4 60 B8R1.2 COC1C=CCCC1 2407-1-00 [2,0,0,0,0,0|0,0,2]=4 61 B8R1.2 COC1CCCCC1 2207-1-07 [2,0,0,0,0,0|0,0,0]=2 62 B8R1.2 OCC1CCCNC1 4H56-1-910 [2,0,0,0,0,0|1,0,1]=4 63 B8R1.2 OC[C@H]1CCCCN1 4H01-1-R3 [2,0,0,0,0,0|1,0,1]=4 64 B10R1.13 CC1=CCC(C(=O)O)CC1 2421-1-10 [1,1,0,0,0,0|0,0,2]=4 65 B10R1.13 C[C@H]1CC[C@H](C(=O)Cl)CC1 2216-5-05 [1,1,0,0,0,0|1,0,0]=3 66 B10R1.13 O=C(O)[C@@H]1CC[C@H](O)CN1 4H58-5-4B [1,1,0,0,0,0|1,0,0]=3 67 B10R1.13 O=C1CCC(C(=O)Cl)CC1 2216-5-02 [1,1,0,0,0,0|1,0,1]=4 68 B10R1.61 NC(=O)[C@@H]1CCCC[C@@H]1N 4248-5-00 [1,1,0,0,0,0|1,0,0]=3 69 B10R1.61 N[C@@H]1C=CCC[C@@H]1C(=O)O 4457-5-02 [1,1,0,0,0,0|0,0,2]=4 70 B10R1.61 N[C@@H]1CC=CC[C@H]1C(=O)O 4457-1-01 [1,1,0,0,0,0|0,0,2]=4 71 B10R1.61 N[C@@H]1CCCC[C@H]1C(=O)O 4257-1-13 [1,1,0,0,0,0|0,0,0]=2 72 B10R1.61 N[C@H]1C=CCC[C@H]1C(=O)O 4457-5-01 [1,1,0,0,0,0|0,0,2]=4 73 B10R1.61 N[C@H]1CC=CC[C@H]1C(=O)O 4457-1-00 [1,1,0,0,0,0|0,0,2]=4 74 B10R1.61 N[C@H]1CCCC[C@H]1C(=O)O 4257-5-18 [1,1,0,0,0,0|0,0,0]=2 75 B10R1.61 O=C(O)C1CCCCC1=O 2229-1-0J [1,1,0,0,0,0|0,0,1]=3 76 B10R1.113 N[C@@H]1CCC[C@@H](C(=O)O)C1 4258-5-15 [1,1,0,0,0,0|0,0,0]=2 77 B10R1.113 O=C1CCCC(C(=O)O)C1 2229-1-X0 [1,1,0,0,0,0|0,0,1]=3 78 B10R1.113 [C@H]1(N)CCC[C@H](C(=O)O)C1 4257-5-11 [1,1,0,0,0,0|0,0,0]=2 79 B10R1.363 CC(=O)C1(C)CCOCC1 2H17-1-87 [1,1,0,0,0,0|1,0,0]=3 80 B10R1.363 C[C@@]1(C(=O)O)CCCCN1 4H21-1-SK [1,1,0,0,0,0|1,0,0]=3 81 B10R1.363 C[C@]1(C(=O)O)CCCCN1 4H21-1-RK [1,1,0,0,0,0|1,0,0]=3 82 B10R1.363 NC1(C(=O)O)CCSCC1 8H66-1-8K [1,1,0,0,0,0|1,0,0]=3 83 B10R1.1 CCCC1CCC(N)CC1 3230-1-0M [1,1,0,0,0,0|1,0,1]=4 84 B10R1.17 COCCC1CCCCN1 4H07-1-79 [1,1,0,0,0,0|1,0,1]=4 85 B10R1.11 CCOC(=O)C1CCCN1 4H58-1-7S [0,1,0,0,1,0|1,0,0]=3 86 B10R1.14 COC(=O)[C@@H]1CCC(=O)C1 2229-1-R0 [0,1,0,0,1,0|0,0,1]=3 87 B10R1.14 COC(=O)[C@@H]1CC[C@H](N)C1 4258-5-11 [0,1,0,0,1,0|0,0,0]=2 88 B10R1.14 COC(=O)[C@H]1CCC(=O)C1 2229-1-S0 [0,1,0,0,1,0|0,0,1]=3 89 B10R1.14 COC(=O)[C@H]1CC[C@@H](N)C1 4233-5-05 [0,1,0,0,1,0|0,0,0]=2 90 B10R1.23 CN(C)C(=O)C1CCNC1 4H48-5-G0 [0,1,0,0,1,0|2,0,0]=4 91 B10R1.23 CN(C)C(=O)[C@@H]1CCCN1 4H48-5-SE [0,1,0,0,1,0|2,0,0]=4 92 B10R1.149 COC(=O)C1SCCC1=O 6H29-1-0A [0,1,0,0,1,0|1,0,1]=4 93 B10R1.411 COC(=O)C1(N)CCCC1 4258-5-16 [0,1,0,0,1,0|0,0,0]=2 94 B12R1.34 COC(=O)C(=O)C1CCCCC1 2229-1-1K [0,1,0,0,0,1|0,0,0]=2 95 B12R1.49 COC(=O)C=C1CCC(C)CC1 2323-1-0P [0,1,0,0,0,1|0,0,1]=3 96 B12R1.49 COC(=O)C=C1CCN(C)CC1 4H23-1-JT [0,1,0,0,0,1|1,0,1]=4 97 B12R1.50 COC(=O)CC1CCCC(=O)C1 2229-1-X9 [0,1,0,0,0,1|0,0,1]=3 98 B12R1.3524 COC(=O)CC1(N)CCCCC1 4258-1-64 [0,1,0,0,0,1|0,0,0]=2 99 B12R1.107 CC(C)NC(=O)C1CCNCC1 4H48-1-06S [0,2,0,0,0,0|2,0,0]=4 100 B12R1.107 CC(C)OC(=O)N1CCNCC1 4H56-1-0HF [0,2,0,0,0,0|2,0,0]=4 101 B12R1.308 CCOC(=O)[C@@H]1CCCC[C@@H]1N 4258-5-22 [0,2,0,0,0,0|0,0,0]=2 102 B12R1.1595 CCOC(=O)C1(F)CCNCC1 4H58-7-50 [0,2,0,0,0,0|1,0,0]=3 103 B12R1.1707 COC(=O)C1CNCC(F)(F)C1 4H58-7-44 [0,2,0,0,0,0|1,0,0]=3 104 B12R1.1729 COC(=O)C1(C)CCCCC1=O 2229-1-87 [0,2,0,0,0,0|0,0,1]=3 105 B10R1.169 COC(=O)C1CC(CN)C1 4258-5-13 [0,0,1,1,0,0|1,0,0]=3 106 B10R1.184 COC(=O)[C@H](O)CC1CC1 2229-1-R3 [0,0,1,1,0,0|1,0,0]=3 107 B10R1.275 CC1CCCCN(C)C1=O 4H48-1-03D [0,0,1,1,0,0|1,0,0]=3 108 B10R1.422 COC(=O)C1(C#N)CCC1 4237-1-0G [0,0,1,1,0,0|1,0,1]=4 109 B10R1.422 COC(=O)C1(CN)CCC1 4230-5-01 [0,0,1,1,0,0|1,0,0]=3 110 B10R1.422 COC(=O)C1(OC)CNC1 4H58-5-3X [0,0,1,1,0,0|2,0,0]=4 111 B10R1.27 COC(=O)C=C1CCCC1 2323-1-0X [0,0,1,1,0,0|0,0,2]=4 112 B10R2.1 NC1CC12CCCCC2 3230-5-11 [1,0,0,1,0,0|1,0,1]=4 113 B10R2.355 [C@@H]12CN[C@H](C(=O)O)[C@@H]1C2 4H21-1-0E [1,0,0,1,0,0|1,0,0]=3 114 B10R2.355 [C@H]12C[C@H]1CN[C@H]2C(=O)O 4H21-1-FF [1,0,0,1,0,0|1,0,0]=3 115 B10R2.7 C1CCC2NCCC2C1 3H31-1-05 [1,0,0,1,0,0|2,0,0]=4 116 B10R2.408 C1CC2CNCC(C1)C2 3H31-5-0C [1,0,0,1,0,0|1,0,1]=4 117 B10R2.484 C1CC2(CCN1)COC2 4H22-1-01 [1,0,0,1,0,0|1,0,1]=4 118 B10R2.484 C1CNCC2(C1)COC2 4H44-1-25 [1,0,0,1,0,0|1,0,1]=4 119 B12R2.2918 O=C1CNC2(CCCCC2)N1 4H48-1-02X [0,0,0,1,0,1|2,0,0]=4 120 B8R1.7 CC(=O)N1CCCC1 4H48-1-0A0 [1,0,0,0,1,0|1,0,0]=3 121 B8R1.7 NC(=O)N1CCCC1 4H48-1-A4 [1,0,0,0,1,0|2,0,0]=4 122 B8R1.7 NC(=O)[C@H]1CCNC1 4H48-5-S9 [1,0,0,0,1,0|2,0,0]=4 123 B8R1.7 O=C(O)[C@H]1CCOC1 2H21-1-S0 [1,0,0,0,1,0|1,0,0]=3 124 B8R1.38 O=C(CBr)C1CCC1 2217-9-0A [0,0,0,0,2,0|2,0,0]=4 125 B12R1.27 COC(=O)\C=C\N1CCOCC1 4H58-1-525 [0,0,0,0,0,2|2,0,0]=4