0 B13R1.337 CC(=O)CCCCC1=CC=CC=C1 BB31-2717 [0,0,0,0,0,0|1,0,0]=1 1 B13R1.337 O=C(O)CCCSC1=CC=CC=C1 BB31-3639 [0,0,0,0,0,0|3,0,0]=3 2 B13R1.337 O=C(O)CCNCC1=CC=CN=C1 BB52-9061 [0,0,0,0,0,0|4,0,0]=4 3 B13R1.337 O=C(O)CCNCC1=CC=NC=C1 BB52-9205 [0,0,0,0,0,0|4,0,0]=4 4 B13R1.337 O=C(O)CCNCC1=NC=CC=C1 BB52-8938 [0,0,0,0,0,0|4,0,0]=4 5 B13R1.337 O=C(O)\C=C\CCC1=CC=CC=C1 BB32-2862 [0,0,0,0,0,0|2,0,1]=3 6 B13R1.337 O=C(O)\C=N\OCC1=CC=CC=C1 BB31-8681 [0,0,0,0,0,0|4,0,0]=4 7 B12R1.8 CCCCCCC1=CC=NC=C1 BB32-1186 [1,0,0,0,0,0|2,0,1]=4 8 B12R1.8 NCCCCCC1=CC=CC=C1 BB31-3637 [1,0,0,0,0,0|2,0,1]=4 9 B14R1.677 CC(=O)NCCSC1=CC=C(O)C=C1 BB31-5094 [0,1,0,0,0,0|2,0,0]=3 10 B14R1.677 O=C(O)CCCCC1=CC=C(Br)C=C1 BB32-1099 [0,1,0,0,0,0|2,0,0]=3 11 B14R1.677 O=C(O)CCCCC1=CC=C(Cl)C=C1 BB32-0724 [0,1,0,0,0,0|2,0,0]=3 12 B14R1.677 O=C(O)CCCCC1=CC=C(F)C=C1 BB31-4263 [0,1,0,0,0,0|2,0,0]=3 13 B14R1.716 COC(=O)CCCCC1=CC=CC=C1 BB31-3851 [0,1,0,0,0,0|1,0,0]=2 14 B14R2.2 O=C(O)CN1CCC2=CC=CC=C21 BB52-9272 [0,0,0,1,0,0|3,0,0]=4 15 B14R2.21 O=C1CCCC(C2=CC=CC=C2)N1 BB32-1877 [0,0,0,1,0,0|2,0,0]=3 16 B14R2.21 O=C1CCOC(C2=CC=CC=C2)C1 BB31-2627 [0,0,0,1,0,0|2,0,0]=3 17 B14R2.21 O=C1COC[C@H](C2=CC=CC=C2)N1 BB31-8770 [0,0,0,1,0,0|3,0,0]=4 18 B14R2.31359 O=C(O)C1CCOC2=C1C=CC=C2 BB31-3799 [0,0,0,1,0,0|3,0,0]=4 19 B14R2.31359 O=C(O)C1CNCC2=C1C=CC=C2 BB31-0438 [0,0,0,1,0,0|3,0,0]=4 20 B14R2.31359 O=C(O)C1OCCC2=C1C=CC=C2 BB31-2126 [0,0,0,1,0,0|3,0,0]=4 21 B12R1.252 O=C(O)CCSC1=NC=CC=C1 BB53-1033 [0,0,0,0,1,0|3,0,0]=4 22 B12R1.252 O=C(O)CNCC1=CC=NC=C1 BB52-9214 [0,0,0,0,1,0|3,0,0]=4 23 B12R1.252 O=C(O)CNCC1=CN=CC=C1 BB52-9756 [0,0,0,0,1,0|3,0,0]=4 24 B12R1.252 O=C(O)CNCC1=NC=CC=C1 BB52-9714 [0,0,0,0,1,0|3,0,0]=4 25 B14R1.422 O=C(O)CCCCOC1=CC=CC=C1 BB31-6026 [0,0,0,0,0,1|2,0,0]=3 26 B11R1.28 CCCCCC1=CC=NC=C1 BB31-4566 [2,0,0,0,0,0|1,0,1]=4 27 B13R1.6 CCCCCCC1=CC=CC(N)=C1 BB32-2021 [1,1,0,0,0,0|1,0,1]=4 28 B13R1.28 OCCCCCCC1=CC=CC=C1 BB31-6056 [1,1,0,0,0,0|1,0,1]=4 29 B13R1.45 NC(=O)OCC(O)C1=CC=CC=C1 BB31-5091 [0,1,0,0,1,0|1,0,0]=3 30 B13R1.45 N[C@@H](CCC(=O)O)C1=CC=CC=C1 BB32-3372 [0,1,0,0,1,0|1,0,0]=3 31 B13R1.45 N[C@H](CCC(=O)O)C1=CC=CC=C1 BB31-0164 [0,1,0,0,1,0|1,0,0]=3 32 B13R1.149 O=C(O)CCOC1=CC=CC(Cl)=C1 BB31-6956 [0,1,0,0,1,0|2,0,0]=4 33 B13R1.158 O=C(O)CCCC1=C(F)C=CC=C1 BB32-0723 [0,1,0,0,1,0|1,0,0]=3 34 B13R1.158 O=C(O)CCCC1=C(O)C=CC=C1 BB32-1832 [0,1,0,0,1,0|1,0,0]=3 35 B13R1.158 O=C(O)CCOC1=C(Br)C=CC=C1 BB31-3294 [0,1,0,0,1,0|2,0,0]=4 36 B13R1.348 CC(=O)CC(=O)CC1=CC=CC=C1 BB32-1690 [0,1,0,0,1,0|0,0,1]=3 37 B13R1.348 N[C@H](CC(=O)O)CC1=CC=CC=C1 BB31-4405 [0,1,0,0,1,0|1,0,0]=3 38 B13R1.351 CC(CCC1=CC=CC=C1)C(=O)O BB32-0518 [0,1,0,0,1,0|1,0,0]=3 39 B13R1.351 O=C(O)C(Br)CCC1=CC=CC=C1 BB31-3255 [0,1,0,0,1,0|1,0,0]=3 40 B13R1.3523 CS(=O)(=O)OCCC1=CC=CC=C1 BB31-3921 [0,1,0,0,1,0|1,0,0]=3 41 B15R1.871 O=C(O)CCCCOC1=CC=C(F)C=C1 BB31-5966 [0,1,0,0,0,1|2,0,0]=4 42 B15R1.111 CC(=O)OCC(=O)CC1=CC=C(Cl)C=C1 BB32-3324 [0,2,0,0,0,0|0,0,1]=3 43 B15R1.778 N#CCC(=O)NCCCC1=CC=CC=C1 BB31-7723 [0,2,0,0,0,0|1,0,0]=3 44 B15R1.1321 COC(=O)[C@@H](O)COCC1=CC=CC=C1 BB31-1798 [0,2,0,0,0,0|2,0,0]=4 45 B13R2.5252 O=C1CCNCC2=C1C=CC=C2 BB31-9636 [1,0,0,1,0,0|2,0,0]=4 46 B13R2.72 O=C(O)C1NCC2=C1C=CC=C2 BB31-7561 [0,0,0,1,1,0|2,0,0]=4 47 B13R2.163 O=C1CCCC2=C(C=CC=C2)O1 BB31-4594 [0,0,0,1,1,0|1,0,0]=3 48 B13R2.163 O=C1CCCC2=CC=CN=C2N1 BB31-7293 [0,0,0,1,1,0|2,0,0]=4 49 B15R2.6 O=C(O)CCN1CCC2=CC=CC=C21 BB53-0132 [0,0,0,1,0,1|2,0,0]=4 50 B15R2.31 O=C1CN(CC2=CC=CC=C2)CCO1 BB32-2698 [0,0,0,1,0,1|0,0,0]=2 51 B15R2.31 O=C1COC[C@H](CC2=CC=CC=C2)N1 BB31-0184 [0,0,0,1,0,1|1,0,0]=3 52 B15R2.68122 O=C(O)CC1OCCC2=C1C=CC=C2 BB31-4184 [0,0,0,1,0,1|2,0,0]=4 53 B15R2.68122 O=C(O)CN1CCCC2=CC=CC=C21 BB53-0423 [0,0,0,1,0,1|2,0,0]=4 54 B15R2.9410 O=C(O)CC1CCC2=C1C=C(F)C=C2 BB31-5578 [0,1,0,1,0,0|2,0,0]=4 55 B15R2.79765 COC(=O)C1NCCC2=C1C=CC=C2 BB32-1129 [0,1,0,1,0,0|2,0,0]=4 56 B15R2.79765 O=C(CBr)N1CCCC2=CC=CC=C21 BB53-0602 [0,1,0,1,0,0|1,0,0]=3 57 B15R2.79765 O=C(CS)N1CCCC2=CC=CC=C21 BB52-7353 [0,1,0,1,0,0|1,0,0]=3 58 B15R3.2025 O=C1CC2CC(C1)C3=C2C=CC=C3 BB31-9752 [0,0,0,2,0,0|1,0,0]=3 59 B11R1.91 NC(=O)CCC1=CN=CC=C1 BB31-6760 [0,0,0,0,2,0|2,0,0]=4 60 B11R1.91 NC(=O)CNC1=CC=CC=C1 BB32-1447 [0,0,0,0,2,0|2,0,0]=4 61 B11R1.91 O=C(O)CCC1=CC=NC=C1 BB52-8563 [0,0,0,0,2,0|2,0,0]=4 62 B11R1.91 O=C(O)CCC1=NC=CC=C1 BB52-8590 [0,0,0,0,2,0|2,0,0]=4