0 B10R1.21 CCCCCC1=CC=CS1 AK117060 [0,0,0,0,0,0|0,1,0]=1 1 B9R1.12 CCCCC1=CC=CS1 AK142166 [1,0,0,0,0,0|0,1,0]=2 2 B9R1.12 CCOCC1=CC=CO1 AK119688 [1,0,0,0,0,0|1,0,0]=2 3 B11R1.4 CCCCCCC1=CC=CS1 AK-88752 [0,1,0,0,0,0|0,1,0]=2 4 B11R1.4 CCCCCCC1=CNN=C1 AK139732 [0,1,0,0,0,0|3,0,0]=4 5 B11R1.4 CCCCCCC1=CSC=C1 AK-54468 [0,1,0,0,0,0|2,0,0]=3 6 B11R1.25 O=C(OC)CCC1=CC=CN1 AK-86682 [0,1,0,0,0,0|2,0,1]=4 7 B11R1.27 O=C1OC(CCCCC)CC1 AK551064 [0,1,0,0,0,0|0,0,3]=4 8 B11R1.29 CNCC[C@H](O)C1=CC=CS1 AK-46639 [0,1,0,0,0,0|1,1,0]=3 9 B11R1.29 O=C(C1=CC=CS1)CCNC AK123073 [0,1,0,0,0,0|1,1,1]=4 10 B11R1.172 OC(=O)CCCC1=CC=CS1 AK-84520 [0,1,0,0,0,0|1,1,1]=4 11 B11R2.2 C1(C2CCCC2)=CNN=C1 AK129166 [0,0,0,1,0,0|3,0,0]=4 12 B11R2.18 C12=C(C=CS1)CCCNC2 AK167529 [0,0,0,1,0,0|1,1,0]=3 13 B11R2.106 O=C1CCCC2=C1C=CO2 AK-63547 [0,0,0,1,0,0|1,0,1]=3 14 B11R2.106 O=C1CCCC2=C1C=CS2 AK-46453 [0,0,0,1,0,0|1,1,1]=4 15 B11R1.28 BrCCOCC1=CC=CC=C1 AK-47866 [0,0,0,0,0,1|3,0,0]=4 16 B11R1.28 C(C1=CC=CC=C1)OCCN AK-34948 [0,0,0,0,0,1|3,0,0]=4 17 B11R1.28 C1=C(CCCCO)C=CC=C1 AK-34737 [0,0,0,0,0,1|2,0,0]=3 18 B11R1.28 C1=C(OCCCBr)C=CC=C1 AK-45305 [0,0,0,0,0,1|3,0,0]=4 19 B11R1.28 CCCCCC1=NC=CC=C1 AK116759 [0,0,0,0,0,1|1,0,0]=2 20 B11R1.28 CCCNCC1=CC=CC=C1 AK-90312 [0,0,0,0,0,1|2,0,0]=3 21 B11R1.28 ClCCCCC1=CC=NC=C1 AK101244 [0,0,0,0,0,1|2,0,0]=3 22 B11R1.28 NCCOCC1=CC=CC=C1 AK174588 [0,0,0,0,0,1|3,0,0]=4 23 B11R1.28 OCCCCC1=CC=CN=C1 AK146720 [0,0,0,0,0,1|2,0,0]=3 24 B11R1.28 OCCCCC1=CC=NC=C1 AK-83298 [0,0,0,0,0,1|2,0,0]=3 25 B11R1.28 OCCCCC1=NC=CC=C1 AK139999 [0,0,0,0,0,1|2,0,0]=3 26 B11R1.28 OCCNCC1=CC=CC=C1 AK105875 [0,0,0,0,0,1|3,0,0]=4 27 B11R1.28 OCCOCC1=CC=CC=C1 AK110808 [0,0,0,0,0,1|3,0,0]=4 28 B8R0.4 CCC\C=C\C=C\C=O AK-88482 [1,0,1,0,0,0|0,0,2]=4 29 B8R0.6 C=CC(CCCCC)=O AK164478 [1,0,1,0,0,0|0,0,1]=3 30 B8R0.6 C=CC(O)CCCCC AK164470 [1,0,1,0,0,0|0,0,1]=3 31 B8R1.8 C1=CN=C(CCC)[NH]1 AK-49074 [2,0,0,0,0,0|2,0,0]=4 32 B8R1.8 CCCC1=NC=CS1 AK-60893 [2,0,0,0,0,0|1,1,0]=4 33 B8R1.8 CNCC1=CC=CS1 AK-16718 [2,0,0,0,0,0|1,1,0]=4 34 B8R1.8 NCCC1=CC=CS1 AK-44822 [2,0,0,0,0,0|1,1,0]=4 35 B8R1.8 OCCC1=CC=CS1 AK-43981 [2,0,0,0,0,0|1,1,0]=4 36 B10R1.29 CCCCC1=C(Br)SC=C1 AK-88319 [1,1,0,0,0,0|2,0,0]=4 37 B10R1.66 CC(=O)OCC1=CC=CO1 AK-96694 [1,1,0,0,0,0|1,0,1]=4 38 B12R1.1 CCCCCC1=CC=C(Br)C=C1 AK-50736 [0,1,0,0,0,1|1,0,0]=3 39 B12R1.1 NC1=CC=C(OCCCC)C=C1 AK-51310 [0,1,0,0,0,1|2,0,0]=4 40 B12R1.1 OC1=CC=C(CCCCC)C=C1 AK208719 [0,1,0,0,0,1|1,0,0]=3 41 B12R1.1 OC1=CC=C(OCCCC)C=C1 AK114215 [0,1,0,0,0,1|2,0,0]=4 42 B12R1.8 BrCCCCOC1=CC=CC=C1 AK145640 [0,1,0,0,0,1|2,0,0]=4 43 B12R1.8 BrCCCOCC1=CC=CC=C1 AK-47534 [0,1,0,0,0,1|2,0,0]=4 44 B12R1.8 CCCCCCC1=CC=NC=C1 AK123346 [0,1,0,0,0,1|1,0,0]=3 45 B12R1.8 NCCCNCC1=CC=CC=C1 AK-58979 [0,1,0,0,0,1|2,0,0]=4 46 B12R1.8 NCCCOCC1=CC=CC=C1 AK-33608 [0,1,0,0,0,1|2,0,0]=4 47 B12R1.8 OCCCOCC1=CC=CC=C1 AK-99881 [0,1,0,0,0,1|2,0,0]=4 48 B12R1.28 NC1=CC(OCCCC)=NC=C1 AK127971 [0,1,0,0,0,1|2,0,0]=4 49 B12R1.30 OC(C1=CC=CC=C1)CCNC AK-48238 [0,1,0,0,0,1|2,0,0]=4 50 B12R1.30 OCCC[C@H](N)C1=CC=CC=C1 AK172741 [0,1,0,0,0,1|2,0,0]=4 51 B12R1.32 CCCC(CC1=CC=CC=C1)=O AK113874 [0,1,0,0,0,1|1,0,1]=4 52 B12R1.372 BrC1=C(C=CS1)CCCCCC AK-36120 [0,2,0,0,0,0|2,0,0]=4 53 B12R1.54 CN(CC[C@@H](C1=CC=CS1)O)C AK-41332 [0,2,0,0,0,0|1,1,0]=4 54 B10R1.17 CCCC[N+]1=CC=CC=C1 AK107641 [0,0,1,1,0,0|2,0,0]=4 55 B10R1.17 CCCC[N+]1=CC=CC=C1 AK676172 [0,0,1,1,0,0|2,0,0]=4 56 B10R2.7 C12=C(C=CS1)CCNC2 AK-27411 [1,0,0,1,0,0|1,1,0]=4 57 B10R2.7 C12=C(CCCC1)N=CN2 AK-34912 [1,0,0,1,0,0|2,0,0]=4 58 B10R2.7 C1CN2C=CC=C2CN1 AK-36181 [1,0,0,1,0,0|2,0,0]=4 59 B10R2.7 S1C2=C(C=C1)CNCC2 AK-27079 [1,0,0,1,0,0|1,1,0]=4 60 B12R2.2 C1(N2CCCC2)=CC=NC=C1 AK-41574 [0,0,0,1,0,1|2,0,0]=4 61 B12R2.2 C1([C@@H]2NCCC2)=CC=CN=C1 AK544513 [0,0,0,1,0,1|2,0,0]=4 62 B12R2.2 C1([C@@H]2NCCC2)=NC=CC=C1 AK153990 [0,0,0,1,0,1|2,0,0]=4 63 B12R2.2 C1([C@H]2NCCC2)=CC=CN=C1 AK-75905 [0,0,0,1,0,1|2,0,0]=4 64 B12R2.2 C1=C(C2CCCN2)C=NC=C1 AK-30521 [0,0,0,1,0,1|2,0,0]=4 65 B12R2.2 C1CNC(C1)C2=CC=CC=C2 AK-39010 [0,0,0,1,0,1|2,0,0]=4 66 B12R2.2 [C@@H]1(C2=CC=CC=C2)CNCC1 AK-76742 [0,0,0,1,0,1|2,0,0]=4 67 B12R2.2 [C@H]1(C2=CC=CC=C2)NCCC1 AK129122 [0,0,0,1,0,1|2,0,0]=4 68 B12R2.2 [C@H]1(C2=CC=CC=C2)NCCC1 AK141955 [0,0,0,1,0,1|2,0,0]=4 69 B12R2.27 OCC1C(C2=CC=CC=C2)C1 AK114344 [0,0,0,1,0,1|2,0,0]=4 70 B12R2.41 C12=CC=CC=C1CNCCC2 AK-36214 [0,0,0,1,0,1|2,0,0]=4 71 B12R2.41 N1CCCCC2=C1C=CC=C2 AK-21952 [0,0,0,1,0,1|2,0,0]=4 72 B12R2.1081 C1=CC=CC2=C1CCNC2C AK-29302 [0,0,0,1,0,1|2,0,0]=4 73 B12R2.1081 CC1C2=CC=CC=C2CCN1 AK-57161 [0,0,0,1,0,1|2,0,0]=4 74 B12R2.1081 CC1CCNC2=C1C=CC=C2 AK139156 [0,0,0,1,0,1|2,0,0]=4 75 B12R2.1081 CC1CNCC2=C1C=CC=C2 AK130522 [0,0,0,1,0,1|2,0,0]=4 76 B12R2.1081 N1=CC=CC2=C1C(CCC2)O AK-25433 [0,0,0,1,0,1|2,0,0]=4 77 B12R2.1081 NC1C2=C(N=CC=C2)CCC1 AK-37645 [0,0,0,1,0,1|2,0,0]=4 78 B12R2.1081 NC1CCCC2=C1C=CC=C2 AK-31970 [0,0,0,1,0,1|2,0,0]=4 79 B12R2.1081 NC1CCCC2=C1C=CC=C2 AK-81453 [0,0,0,1,0,1|2,0,0]=4 80 B12R2.1081 NC1CCCC2=C1N=CC=C2 AK-82329 [0,0,0,1,0,1|2,0,0]=4 81 B12R2.1081 NC1CCCC2=C1N=CC=C2 AK145925 [0,0,0,1,0,1|2,0,0]=4 82 B12R2.1081 N[C@@H]1CCCC2=C1C=CC=C2 AK105266 [0,0,0,1,0,1|2,0,0]=4 83 B12R2.1081 OC1CCCC2=C1C=CC=C2 AK-50542 [0,0,0,1,0,1|2,0,0]=4 84 B12R2.1081 [C@H]1(C2=CC=CC=C2CCC1)N AK-34256 [0,0,0,1,0,1|2,0,0]=4