0 B6R1.2 C[C@H]1CCCN1 3H31-1-S2 [0,0,0,0,0,0|2,0,1]=3 1 B6R1.2 ClC1=CC=CO1 2H10-5-0M [0,0,0,0,0,0|1,0,3]=4 2 B6R1.2 IC1=NC=CO1 4H56-H-42 [0,0,0,0,0,0|2,0,2]=4 3 B6R1.2 I[C@H]1CCOC1 2H10-H-S1 [0,0,0,0,0,0|3,0,1]=4 4 B6R1.2 O=C1CCNN1 4H48-5-FV [0,0,0,0,0,0|2,0,0]=2 5 B7R1.1 BrC[C@H]1CCCO1 2H10-9-R1 [0,1,0,0,0,0|1,0,1]=3 6 B7R1.1 FC[C@@H]1CCCN1 3H31-7-58 [0,1,0,0,0,0|2,0,1]=4 7 B7R1.1 NC[C@H]1CCCN1 3H30-1-2R [0,1,0,0,0,0|2,0,1]=4 8 B7R1.2 CC1CCC(C)N1 3H31-5-0R [0,1,0,0,0,0|2,0,1]=4 9 B7R1.2 CC1CNC(=S)N1 7H67-1-34 [0,1,0,0,0,0|2,1,0]=4 10 B7R1.2 CC1COC(=O)N1 4H56-1-0P2 [0,1,0,0,0,0|1,0,0]=2 11 B7R1.2 CN1CC[C@@H](N)C1 3H30-1-R1 [0,1,0,0,0,0|3,0,0]=4 12 B7R1.2 CN1CC[C@H](N)C1 3H30-1-S0 [0,1,0,0,0,0|3,0,0]=4 13 B7R1.2 NC1CNC(=O)C1 4H48-1-6A [0,1,0,0,0,0|1,0,0]=2 14 B7R1.2 N[C@@H]1CC[C@H](O)C1 4256-5-40 [0,1,0,0,0,0|1,0,2]=4 15 B7R1.2 N[C@@H]1CNC(=O)C1 4H48-5-S0 [0,1,0,0,0,0|1,0,0]=2 16 B7R1.2 N[C@H]1CC[C@@H](O)C1 4256-5-44 [0,1,0,0,0,0|1,0,2]=4 17 B7R1.2 N[C@H]1CC[C@H](O)C1 4256-5-45 [0,1,0,0,0,0|1,0,2]=4 18 B7R1.2 O[C@H]1CC[C@@H](O)C1 2204-1-0D [0,1,0,0,0,0|1,0,2]=4 19 B7R1.4 N[C@@H]1CCC[C@@H]1O 4256-5-30 [0,1,0,0,0,0|1,0,2]=4 20 B7R1.4 O=C1CCCC1Br 2215-9-00 [0,1,0,0,0,0|1,0,0]=2 21 B7R1.4 O=C1OCC[C@@H]1O 2H29-1-S0 [0,1,0,0,0,0|0,0,0]=1 22 B7R1.14 CC1(N)CCCC1 3230-5-22 [0,1,0,0,0,0|2,0,1]=4 23 B7R1.14 N=S1(=O)CCCC1 8H69-1-3T [0,1,0,0,0,0|2,0,0]=3 24 B5R0.1 NCCC(N)=O 4148-5-0C [0,0,1,0,0,0|2,0,0]=3 25 B5R0.1 O=C(O)\C=C\Br 2321-9-E0 [0,0,1,0,0,0|1,0,2]=4 26 B5R0.2 C#CCCCN 3533-5-03 [0,0,1,0,0,0|2,0,1]=4 27 B5R0.2 CCO\C=C/Br 2307-9-01 [0,0,1,0,0,0|3,0,0]=4 28 B5R0.2 FCCCCF 1100-3-44 [0,0,1,0,0,0|2,0,1]=4 29 B5R0.2 NCCCCCl 3130-5-07 [0,0,1,0,0,0|2,0,1]=4 30 B7R2.11 C1NC2CC1C2 3H31-5-0M [0,0,0,1,0,0|2,0,1]=4 31 B5R1.2 CC1CCN1 3H31-5-4U [0,0,0,0,1,0|2,0,1]=4 32 B5R1.2 IC1CCC1 1200-H-02 [0,0,0,0,1,0|1,0,1]=3 33 B5R1.2 SC1COC1 6H61-1-01 [0,0,0,0,1,0|1,1,1]=4 34 B7R1.3 C[C@@H]1CNCCO1 4H56-1-R10 [0,0,0,0,0,1|1,0,1]=3 35 B7R1.3 C[C@H]1CNCCO1 4H44-5-75 [0,0,0,0,0,1|1,0,1]=3 36 B7R1.3 F[C@@H]1CCCNC1 3H31-7-R0 [0,0,0,0,0,1|2,0,1]=4 37 B7R1.3 F[C@H]1CCCNC1 3H31-7-S0 [0,0,0,0,0,1|2,0,1]=4 38 B7R1.3 OC1CCCNC1 4H56-1-909 [0,0,0,0,0,1|1,0,2]=4 39 B7R1.3 S=C1NCCCS1 7H67-1-28 [0,0,0,0,0,1|0,2,0]=3 40 B4R0.1 CNC(C)=S 7167-1-41 [1,0,1,0,0,0|1,1,0]=4 41 B4R0.2 C=CCNC 3331-1-01 [1,0,1,0,0,0|2,0,0]=4 42 B6R0.1 CCNC(=O)CBr 4148-9-03 [0,1,1,0,0,0|1,0,0]=3 43 B6R0.2 CC(=O)OC(C)Cl 2123-5-21 [0,1,1,0,0,0|0,0,0]=2 44 B6R0.3 CCC(F)C(=O)O 2121-3-0L [0,1,1,0,0,0|0,0,0]=2 45 B6R0.3 NC(CF)C(=O)O 4157-3-01 [0,1,1,0,0,0|1,0,0]=3 46 B6R0.4 O=C(O)\C=C\CCl 2321-5-03 [0,1,1,0,0,0|0,0,2]=4 47 B6R1.4 N[C@@H]1CC[C@@H]1O 4256-5-Z2 [0,1,0,0,1,0|0,0,2]=4 48 B6R1.5 C=C1CC(N)C1 3330-5-00 [0,1,0,0,1,0|1,0,0]=3 49 B6R1.5 CN1CC(=O)C1 4H17-5-2E [0,1,0,0,1,0|1,0,0]=3 50 B6R1.5 C[C@H]1C[C@@H](N)C1 3230-5-Z1 [0,1,0,0,1,0|1,0,1]=4 51 B6R1.5 NC1CC(F)C1 3230-7-04 [0,1,0,0,1,0|1,0,1]=4 52 B6R1.5 NN1CC(O)C1 4H56-5-NP [0,1,0,0,1,0|2,0,0]=4 53 B6R1.5 N[C@H]1C[C@@H](N)C1 3230-5-13 [0,1,0,0,1,0|1,0,1]=4 54 B6R1.5 O=C1CC(Br)C1 2217-9-03 [0,1,0,0,1,0|0,0,0]=2 55 B6R1.5 O=C1CC(F)C1 2217-3-0D [0,1,0,0,1,0|0,0,0]=2 56 B6R1.5 O=C1CC(O)C1 2220-1-00 [0,1,0,0,1,0|0,0,0]=2 57 B6R1.5 OC1CC(F)C1 2201-3-0D [0,1,0,0,1,0|0,0,2]=4 58 B6R1.5 OC1CC(O)C1 2204-1-0C [0,1,0,0,1,0|0,0,2]=4 59 B6R1.5 O[C@H]1C[C@H](F)C1 2202-3-E1 [0,1,0,0,1,0|0,0,2]=4 60 B6R1.6 BrCC1CCO1 2H10-9-36 [0,1,0,0,1,0|1,0,1]=4 61 B6R1.6 NNC1CCC1 3239-5-02 [0,1,0,0,1,0|1,0,1]=4 62 B6R1.6 O=CC1COC1 2H15-1-22 [0,1,0,0,1,0|1,0,1]=4 63 B8R1.2 CC[C@@H]1CNCCO1 4H56-1-R50 [0,1,0,0,0,1|1,0,1]=4 64 B8R1.2 CC[C@H]1CNCCO1 4H56-1-S50 [0,1,0,0,0,1|1,0,1]=4 65 B8R1.2 ClCC1CNCCO1 4H33-5-0R [0,1,0,0,0,1|1,0,1]=4 66 B8R1.2 NCC1COCCO1 4H30-1-D6 [0,1,0,0,0,1|1,0,1]=4 67 B8R1.2 OCC1CNCCO1 4H56-5-JJ [0,1,0,0,0,1|0,0,2]=4 68 B8R1.3 N[C@H]1CCC(=O)NC1 4H48-5-SH [0,1,0,0,0,1|1,0,0]=3 69 B8R1.3 O=C1CCC(Br)CC1 2217-9-01 [0,1,0,0,0,1|1,0,0]=3 70 B8R1.3 O=C1CCC(F)CC1 2217-3-06 [0,1,0,0,0,1|1,0,0]=3 71 B8R1.4 C[C@H]1CNC[C@H](C)O1 4H31-1-2B [0,1,0,0,0,1|1,0,1]=4 72 B8R1.4 O=C1CCCC(Br)C1 2217-9-0B [0,1,0,0,0,1|1,0,0]=3 73 B8R1.4 O=C1CCCC(Cl)C1 2217-5-08 [0,1,0,0,0,1|1,0,0]=3 74 B8R1.4 O=C1CSCC(=O)C1 6H18-1-01 [0,1,0,0,0,1|0,1,1]=4 75 B8R1.5 CC1COCCC1=O 2H17-1-79 [0,1,0,0,0,1|1,0,0]=3 76 B8R1.5 N[C@@H]1CCOC[C@@H]1F 4H56-7-2D [0,1,0,0,0,1|1,0,1]=4 77 B8R1.5 N[C@@H]1CCOC[C@H]1F 4H56-7-2E [0,1,0,0,0,1|1,0,1]=4 78 B8R1.5 N[C@@H]1CCOC[C@H]1O 4H56-1-144 [0,1,0,0,0,1|0,0,2]=4 79 B8R1.5 N[C@H]1CCOC[C@@H]1O 4H56-5-C4 [0,1,0,0,0,1|0,0,2]=4 80 B8R1.5 O=C1CCOCC1Cl 2H17-5-24 [0,1,0,0,0,1|1,0,0]=3 81 B8R1.5 [C@@H]1(O)COCC[C@H]1N 4H56-5-9X [0,1,0,0,0,1|0,0,2]=4 82 B8R1.1 C=CC1COC(=O)C1 2H25-1-2G [0,2,0,0,0,0|0,0,0]=2 83 B8R1.1 NCC1CNC(=O)C1 4H48-1-HY [0,2,0,0,0,0|1,0,0]=3 84 B8R1.1 NCC1CNC(=O)C1 4H48-5-B2 [0,2,0,0,0,0|1,0,0]=3 85 B8R1.1 NC[C@@H]1CCC(=O)N1 4H48-1-S0 [0,2,0,0,0,0|1,0,0]=3 86 B8R1.1 NC[C@@H]1CNC(=O)C1 4H48-1-RC [0,2,0,0,0,0|1,0,0]=3 87 B8R1.1 NC[C@@H]1CNC(=O)C1 4H48-5-R7 [0,2,0,0,0,0|1,0,0]=3 88 B8R1.7 CC(=O)N1CCCC1 4H48-1-0A0 [0,2,0,0,0,0|2,0,0]=4 89 B8R1.7 NC(=O)N1CCCC1 4H48-1-A4 [0,2,0,0,0,0|2,0,0]=4 90 B8R1.18 C[C@@H]1NC(=O)OC1=O 4H56-1-S0C [0,2,0,0,0,0|1,0,1]=4 91 B8R1.51 O=C1CCS(=O)(=O)C1 6H63-1-09 [0,2,0,0,0,0|2,0,0]=4 92 B8R1.22 C=C1OCCCCO1 2H10-1-71 [0,0,0,0,0,2|1,0,0]=3