0 B13R1.718 COC(=O)CCNC1=NC=CC=C1 BB32-2272 [0,0,0,0,0,0|4,0,0]=4 1 B12R1.8 CCCCCCC1=CC=NC=C1 BB32-1186 [1,0,0,0,0,0|2,0,1]=4 2 B12R1.8 NCCCCCC1=CC=CC=C1 BB31-3637 [1,0,0,0,0,0|2,0,1]=4 3 B14R1.520 CCOC(=O)C\N=C\C1=CC=CC=C1 BB32-1957 [0,1,0,0,0,0|2,0,1]=4 4 B14R1.520 CCOC(=O)NOCC1=CC=CC=C1 BB32-2867 [0,1,0,0,0,0|2,0,0]=3 5 B14R2.68 O=C1CCN(C2=CC=NC=C2)CC1 BB31-1589 [0,0,0,1,0,0|3,0,0]=4 6 B14R2.68 O=C1COC(C2=CC=CC=C2)CN1 BB32-2900 [0,0,0,1,0,0|2,0,0]=3 7 B14R2.68 O[C@H]1CC[C@H](C2=CC=CC=C2)CC1 BB32-3266 [0,0,0,1,0,0|1,0,2]=4 8 B14R2.95 O=C(CBr)N1CCC2=CC=CC=C21 BB53-1072 [0,0,0,1,0,0|2,0,0]=3 9 B14R2.95 O=C(CS)N1CCC2=CC=CC=C21 BB52-7352 [0,0,0,1,0,0|2,0,0]=3 10 B12R1.27 C#CC(=O)OCC1=CC=CC=C1 BB31-2799 [0,0,0,0,1,0|0,0,2]=3 11 B12R1.27 COC(=O)CCC1=NC=CC=C1 BB31-4510 [0,0,0,0,1,0|2,0,0]=3 12 B12R1.27 COC(=O)CNC1=CC=CC=C1 BB32-1728 [0,0,0,0,1,0|2,0,0]=3 13 B12R1.27 C[C@@H](CO)OCC1=CC=CC=C1 BB32-1672 [0,0,0,0,1,0|2,0,1]=4 14 B12R1.27 O=C(CBr)NCC1=CC=CN=C1 BB52-9526 [0,0,0,0,1,0|3,0,0]=4 15 B12R1.27 O=C(CBr)NCC1=CC=NC=C1 BB53-0757 [0,0,0,0,1,0|3,0,0]=4 16 B12R1.27 O=C(CBr)NCC1=NC=CC=C1 BB53-1125 [0,0,0,0,1,0|3,0,0]=4 17 B12R1.27 O=C(CCl)NCC1=CC=NC=C1 BB53-1145 [0,0,0,0,1,0|3,0,0]=4 18 B14R1.716 COC(=O)CCCCC1=CC=CC=C1 BB31-3851 [0,0,0,0,0,1|2,0,0]=3 19 B11R1.28 CCCCCC1=CC=NC=C1 BB31-4566 [2,0,0,0,0,0|1,0,1]=4 20 B13R1.6 CCCCCCC1=CC=CC(N)=C1 BB32-2021 [1,1,0,0,0,0|1,0,1]=4 21 B13R1.28 OCCCCCCC1=CC=CC=C1 BB31-6056 [1,1,0,0,0,0|1,0,1]=4 22 B13R1.45 NC(=O)OCC(O)C1=CC=CC=C1 BB31-5091 [1,1,0,0,0,0|1,0,0]=3 23 B13R1.45 N[C@@H](CCC(=O)O)C1=CC=CC=C1 BB32-3372 [1,1,0,0,0,0|2,0,0]=4 24 B13R1.45 N[C@H](CCC(=O)O)C1=CC=CC=C1 BB31-0164 [1,1,0,0,0,0|2,0,0]=4 25 B13R1.158 O=C(O)CCCC1=C(F)C=CC=C1 BB32-0723 [1,1,0,0,0,0|2,0,0]=4 26 B13R1.158 O=C(O)CCCC1=C(O)C=CC=C1 BB32-1832 [1,1,0,0,0,0|2,0,0]=4 27 B13R1.348 CC(=O)CC(=O)CC1=CC=CC=C1 BB32-1690 [1,1,0,0,0,0|1,0,1]=4 28 B13R1.348 N[C@H](CC(=O)O)CC1=CC=CC=C1 BB31-4405 [1,1,0,0,0,0|2,0,0]=4 29 B13R1.351 CC(CCC1=CC=CC=C1)C(=O)O BB32-0518 [1,1,0,0,0,0|2,0,0]=4 30 B13R1.351 O=C(O)C(Br)CCC1=CC=CC=C1 BB31-3255 [1,1,0,0,0,0|2,0,0]=4 31 B13R1.3523 CS(=O)(=O)OCCC1=CC=CC=C1 BB31-3921 [1,1,0,0,0,0|1,0,0]=3 32 B13R1.11 COC(=O)CC(N)C1=CN=CC=C1 BB31-8370 [0,1,0,0,1,0|2,0,0]=4 33 B13R1.14 COC(=O)CCC1=CC=C(C)C=C1 BB32-3522 [0,1,0,0,1,0|1,0,0]=3 34 B13R1.14 COC(=O)CCC1=CC=C(F)C=C1 BB31-4540 [0,1,0,0,1,0|1,0,0]=3 35 B13R1.14 COC(=O)CCC1=CC=C(N)C=C1 BB32-1808 [0,1,0,0,1,0|1,0,0]=3 36 B13R1.15 CNC(=O)CCC1=CC(N)=CC=C1 BB31-9102 [0,1,0,0,1,0|1,0,0]=3 37 B13R1.15 COC(=O)CCC1=CC=CC(F)=C1 BB32-2078 [0,1,0,0,1,0|1,0,0]=3 38 B13R1.135 CNC(=O)[C@@H](N)CC1=CC=CC=C1 BB31-5428 [0,1,0,0,1,0|1,0,0]=3 39 B13R1.135 COC(=O)C(Br)CC1=CC=CC=C1 BB32-1982 [0,1,0,0,1,0|1,0,0]=3 40 B13R1.135 COC(=O)C(Cl)CC1=CC=CC=C1 BB31-4052 [0,1,0,0,1,0|1,0,0]=3 41 B15R1.778 N#CCC(=O)NCCCC1=CC=CC=C1 BB31-7723 [0,1,0,0,0,1|1,0,1]=4 42 B15R1.1321 COC(=O)[C@@H](O)COCC1=CC=CC=C1 BB31-1798 [0,1,0,0,0,1|2,0,0]=4 43 B13R2.3 C1=CC=C(C2COCCN2)C=C1 BB31-2403 [1,0,0,1,0,0|1,0,1]=4 44 B13R2.163 O=C1CCCC2=C(C=CC=C2)O1 BB31-4594 [1,0,0,1,0,0|2,0,0]=4 45 B13R2.15272 COC(=O)C1CC2=C1C=CC=C2 BB32-2031 [0,0,0,1,1,0|1,0,0]=3 46 B15R2.79765 COC(=O)C1NCCC2=C1C=CC=C2 BB32-1129 [0,0,0,1,0,1|2,0,0]=4 47 B15R2.79765 O=C(CBr)N1CCCC2=CC=CC=C21 BB53-0602 [0,0,0,1,0,1|2,0,0]=4 48 B15R2.79765 O=C(CS)N1CCCC2=CC=CC=C21 BB52-7353 [0,0,0,1,0,1|2,0,0]=4 49 B15R2.31 O=C1CN(CC2=CC=CC=C2)CCO1 BB32-2698 [0,1,0,1,0,0|2,0,0]=4 50 B15R2.31 O=C1COC[C@H](CC2=CC=CC=C2)N1 BB31-0184 [0,1,0,1,0,0|1,0,0]=3 51 B15R2.73 O=C(CCCl)N1CCC2=C1C=CC=C2 BB53-0198 [0,1,0,1,0,0|1,0,0]=3 52 B15R2.1601 COC(=O)C1CCC2=C(C=CC=C2)O1 BB31-0370 [0,1,0,1,0,0|2,0,0]=4 53 B15R2.1601 COC(=O)C1CCC2=CC=CC=C2N1 BB52-0811 [0,1,0,1,0,0|2,0,0]=4 54 B15R2.1601 O=C(CBr)N1CCC2=CC=CC=C2C1 BB52-9251 [0,1,0,1,0,0|2,0,0]=4 55 B15R2.308 O=C1CCC(C2=C(Cl)C=CC=C2)CN1 BB31-5960 [0,1,0,1,0,0|1,0,0]=3 56 B15R2.1255 CC(Cl)C(=O)N1CCC2=CC=CC=C21 BB52-9956 [0,1,0,1,0,0|1,0,0]=3 57 B11R1.91 NC(=O)CCC1=CN=CC=C1 BB31-6760 [1,0,0,0,1,0|2,0,0]=4 58 B11R1.91 NC(=O)CNC1=CC=CC=C1 BB32-1447 [1,0,0,0,1,0|2,0,0]=4 59 B11R1.91 O=C(O)CCC1=CC=NC=C1 BB52-8563 [1,0,0,0,1,0|2,0,0]=4 60 B11R1.91 O=C(O)CCC1=NC=CC=C1 BB52-8590 [1,0,0,0,1,0|2,0,0]=4 61 B11R1.40 NCC(=O)CC1=CC=CC=C1 BB31-4674 [0,0,0,0,2,0|1,0,0]=3 62 B11R1.40 NNC(=O)OC1=CC=CC=C1 BB31-5306 [0,0,0,0,2,0|2,0,0]=4 63 B11R1.40 O=C(CO)NC1=CC=CC=C1 BB32-2558 [0,0,0,0,2,0|2,0,0]=4