0 B16R2.477 CC(C)CCC1=CC=C2C=CC=CC2=C1 CNP0201965.0 [0,0,0,0,0,0|1,0,0]=1 1 B16R2.477 CC(C)COC1=CC=C2C=CC=CC2=C1 CNP0362324.0 [0,0,0,0,0,0|0,0,0]=0 2 B16R2.477 C[C@H](O)/C=C/C1=CC=C2C=CC=CC2=N1 CNP0362446.1 [0,0,0,0,0,0|3,0,1]=4 3 B17R2.9167 CC(OC1=CC=C2C=CC=CC2=C1)C(=O)O CNP0065361.0 [0,1,0,0,0,0|2,0,1]=4 4 B17R2.9167 CN(C)C(=S)OC1=CC=C2C=CC=CC2=C1 CNP0154000.0 [0,1,0,0,0,0|1,0,1]=3 5 B17R2.9167 CN(C)C(=S)SC1=CC=C2C=CC=CC2=C1 CNP0043682.0 [0,1,0,0,0,0|1,1,1]=4 6 B17R2.18967 CC(C)CC(=O)C1=CC=C2C=CC=CC2=C1 CNP0044202.0 [0,1,0,0,0,0|1,0,0]=2 7 B17R2.19729 C=C(C)COC1=CC=C2C=CC(=O)OC2=C1 CNP0158487.0 [0,1,0,0,0,0|1,0,2]=4 8 B17R2.19729 CC(=O)COC1=CC=C2C=CC(=O)OC2=C1 CNP0122339.0 [0,1,0,0,0,0|2,0,1]=4 9 B17R2.19729 CC1=CC=C2C=CC(=CC2=N1)CC[C@@H](C)O CNP0151503.1 [0,1,0,0,0,0|3,0,0]=4 10 B17R2.19729 CC1=CC=C2C=CC(=CC2=N1)CC[C@H](C)O CNP0151503.2 [0,1,0,0,0,0|3,0,0]=4 11 B17R2.40403 CC(C)CCC1=CC(=O)C2=CC=CC=C2N1 CNP0072745.0 [0,1,0,0,0,0|2,0,0]=3 12 B17R2.40403 CC(C)CCC1=NC2=CC=CC=C2C(=O)C1 CNP0501181.0 [0,1,0,0,0,0|2,0,1]=4 13 B17R2.40403 CC(C)COC1=NC2=CC=CC=C2C(=O)O1 CNP0364355.0 [0,1,0,0,0,0|2,0,0]=3 14 B17R2.155580 CC(=CCC1=CC=C2C=CC=CC2=C1O)C CNP0504315.0 [0,1,0,0,0,0|1,0,2]=4 15 B15R1.5919 CC(C)CNC(=O)C=CC1=CC=CC=C1 CNP0581871.0 [0,0,1,0,0,0|2,0,0]=3 16 B15R1.5919 CC(C)COC(=O)C=CC1=CC=CC=C1 CNP0079856.0 [0,0,1,0,0,0|1,0,0]=2 17 B15R1.5919 CC(C)COC(=O)CCC1=CC=CC=C1 CNP0591880.0 [0,0,1,0,0,0|1,0,2]=4 18 B17R3.3205 O=C1CCC2=CC3=CC=CC=C3C=C2C1 CNP0035729.0 [0,0,0,1,0,0|2,0,1]=4 19 B15R2.6 CC(C)NCC1=CNC2=CC=CC=C12 CNP0583830.0 [0,0,0,0,1,0|3,0,0]=4 20 B15R2.6 CC(O)COC1=CNC2=CC=CC=C12 CNP0433852.0 [0,0,0,0,1,0|2,0,0]=3 21 B15R2.6 CN(C)CCC1=CNC2=CC=CC=C12 CNP0162089.0 [0,0,0,0,1,0|3,0,0]=4 22 B15R2.1660 CC(C)CCC1=CC2=CC=CN=C2N1 CNP0003090.0 [0,0,0,0,1,0|3,0,0]=4 23 B15R2.1668 CC(=CC1=CC=C2C=CC=CC2=N1)C CNP0000209.0 [0,0,0,0,1,0|1,0,2]=4 24 B15R2.1668 CC(=O)OC1=CC=C2C=CC=CC2=C1 CNP0193755.0 [0,0,0,0,1,0|1,0,1]=3 25 B15R2.1668 O=C(O)CC1=CC=C2C=CC=CC2=C1 CNP0470881.0 [0,0,0,0,1,0|2,0,1]=4 26 B14R1.423 CC(C)COC(=O)CC1=CC=CC=C1 CNP0003033.0 [1,0,1,0,0,0|1,0,1]=4 27 B14R1.467 CCCCC(=CC1=CC=CC=C1)C=O CNP0012703.0 [1,0,1,0,0,0|2,0,0]=4 28 B14R1.156 CCCOC(=O)C=CC1=CC=CC=C1 CNP0077243.0 [1,0,1,0,0,0|1,0,0]=3 29 B14R2.112 CCCC1=CC=C2C=CC=CC2=N1 CNP0276038.0 [2,0,0,0,0,0|1,0,0]=3 30 B14R2.112 CCCC1=CN=C2C=CC=CC2=C1 CNP0572034.0 [2,0,0,0,0,0|1,0,0]=3 31 B14R2.112 CCOC1=CC=C2C=CC=CC2=C1 CNP0003641.0 [2,0,0,0,0,0|0,0,0]=2 32 B14R2.112 OCC[N+]1=CC=C2C=CC=CC2=C1 CNP0602838.0 [2,0,0,0,0,0|2,0,0]=4 33 B16R1.603 CC(C)COC1=CC=C(C=C1)C=CC(=O)O CNP0145378.0 [0,1,1,0,0,0|1,0,0]=3 34 B16R1.12300 CC(C)COC1=CC=CC(=C1)C=CC(=O)O CNP0337964.0 [0,1,1,0,0,0|1,0,0]=3 35 B16R1.1061 CC(C)CNC(=O)C=CC1=CC=C(C=C1)Cl CNP0531598.0 [0,1,1,0,0,0|2,0,0]=4 36 B16R1.4122 C[C@H](O)[C@H](C)OC(=O)/C=C/C1=CC=CC=C1 CNP0234931.1 [0,1,1,0,0,0|2,0,0]=4 37 B16R1.4122 C[C@H](O)[C@H](C)OC(=O)/C=C\C1=CC=CC=C1 CNP0234931.2 [0,1,1,0,0,0|2,0,0]=4 38 B16R2.767 CCCC(=O)C1=CC=C2C=CC=CC2=C1 CNP0146796.0 [1,1,0,0,0,0|1,0,0]=3 39 B16R2.1285 CCCOC1=CC=C2C=CC(=O)OC2=C1 CNP0407292.0 [1,1,0,0,0,0|1,0,0]=3 40 B16R2.2441 CCCC=CC1=CC=C2C=CC=CC2=N1 CNP0224840.0 [1,1,0,0,0,0|2,0,0]=4 41 B16R2.2441 CCCCCC1=CC=C2C=CC=CC2=N1 CNP0150480.0 [1,1,0,0,0,0|2,0,0]=4 42 B16R2.14 C[C@@H](CO)CCC1=CNC2=CC=CC=C12 CNP0129518.1 [0,1,0,0,1,0|2,0,0]=4 43 B16R2.14 C[C@H](CO)CCC1=CNC2=CC=CC=C12 CNP0129518.2 [0,1,0,0,1,0|2,0,0]=4 44 B16R2.4003 CC(C)CC=C1C(=O)NC2=CC=CC=C12 CNP0149578.0 [0,1,0,0,1,0|2,0,0]=4 45 B16R2.22833 CC(C)CCN1C=CC2=C(C=CC=C12)N CNP0044395.0 [0,1,0,0,1,0|2,0,0]=4 46 B16R2.104522 CC(C)CC=C1OC(=O)C2=CC=CC=C12 CNP0066536.0 [0,1,0,0,1,0|2,0,0]=4 47 B16R2.11975 CC(C)OC1=CC=C2C=CC(=O)OC2=C1 CNP0529629.0 [0,1,0,0,1,0|1,0,0]=3 48 B16R2.11587 CC(C)CC(=O)C1=CC=C2C=CNC2=C1 CNP0304839.0 [0,1,0,0,1,0|2,0,0]=4 49 B16R2.11587 CC(C)CC(=O)C1=CC=C2NC=CC2=C1 CNP0155647.0 [0,1,0,0,1,0|2,0,0]=4 50 B18R2.14644 CC(C)NC[C@@H](O)C1=CC=C2C=CC=CC2=C1 CNP0167251.1 [0,1,0,0,0,1|1,0,0]=3 51 B18R2.14644 CC(C)NC[C@H](O)C1=CC=C2C=CC=CC2=C1 CNP0167251.2 [0,1,0,0,0,1|1,0,0]=3 52 B18R2.31386 CC(=CCOC1=CC=C2C=CC(=O)OC2=C1)C CNP0333382.0 [0,1,0,0,0,1|1,0,1]=4 53 B18R2.31386 CC(C)C=COC1=CC=C2C=CC(=O)OC2=C1 CNP0606095.0 [0,1,0,0,0,1|1,0,1]=4 54 B18R2.31386 CC(C)CCOC1=CC=C2C=CC(=O)OC2=C1 CNP0495065.0 [0,1,0,0,0,1|1,0,0]=3 55 B18R2.30019 COC(=O)C(C)OC1=CC=C2C=CC=CC2=C1 CNP0201396.0 [0,2,0,0,0,0|1,0,1]=4 56 B18R2.63529 CC(C)C(C)CC1=CC(=O)C2=CC=CC=C2N1 CNP0327564.0 [0,2,0,0,0,0|2,0,0]=4 57 B16R3.1720 C1=CC=C2C=C3CCCCC3=CC2=C1 CNP0172811.0 [1,0,0,1,0,0|1,0,0]=3 58 B16R3.1720 C1=CC=C2C=C3OCCCC3=CC2=C1 CNP0308762.0 [1,0,0,1,0,0|0,0,0]=2 59 B16R3.1720 C1=CC=C2N=C3CCCCC3=CC2=C1 CNP0257287.0 [1,0,0,1,0,0|2,0,0]=4 60 B18R3.49074 CC1(C=CC2=CC=C3C=CC=CC3=C2O1)C CNP0225102.0 [0,1,0,1,0,0|1,0,1]=4 61 B18R3.49074 CC1(CCC2=CC=C3C=CC=CC3=C2O1)C CNP0189236.0 [0,1,0,1,0,0|1,0,0]=3 62 B18R4.928001 C1=CC=C2C=C3C[C@@H]4O[C@H]4CC3=CC2=C1 CNP0059988.2 [0,0,0,2,0,0|2,0,0]=4 63 B18R4.928001 C1=CC=C2C=C3C[C@H]4O[C@H]4CC3=CC2=C1 CNP0059988.1 [0,0,0,2,0,0|2,0,0]=4 64 B14R1.160 CC(C)COC(=O)C1=CC=CC=C1N CNP0119682.0 [0,0,1,0,1,0|2,0,0]=4 65 B14R1.160 CC(C)COC(=O)C1=CC=CC=C1O CNP0415723.0 [0,0,1,0,1,0|2,0,0]=4 66 B14R1.540 CC(C)CC=C(C=O)C1=CC=CC=C1 CNP0264414.0 [0,0,1,0,1,0|2,0,0]=4 67 B14R1.818 CC(C)OC(=O)C=CC1=CC=CC=C1 CNP0180499.0 [0,0,1,0,1,0|1,0,0]=3 68 B14R2.3 CCCCN1C=CC2=CC=CC=C12 CNP0206702.0 [1,0,0,0,1,0|2,0,0]=4 69 B14R2.2 CN(C)CC1=CNC2=CC=CC=C12 CNP0221160.0 [0,0,0,0,2,0|2,0,0]=4 70 B14R2.2 CN(C)CC1=C[N]C2=CC=CC=C12 CNP0538997.0 [0,0,0,0,2,0|2,0,0]=4 71 B14R2.2 C[C@@H](N)CC1=CNC2=CC=CC=C12 CNP0574647.1 [0,0,0,0,2,0|2,0,0]=4 72 B14R2.768 CC(C)CC1=CC2=CC=CN=C2N1 CNP0360313.0 [0,0,0,0,2,0|2,0,0]=4 73 B14R2.781 CC(=O)C1=CC=C2C=CC=CC2=C1 CNP0163282.0 [0,0,0,0,2,0|1,0,1]=4 74 B16R1.70 CC(=CCOC1=CC=C(C=C1)C=CC=O)C CNP0135213.0 [0,0,1,0,0,1|1,0,1]=4 75 B16R1.608 CC(=CCOC(=O)C=CC1=CC=CC=C1)C CNP0304663.0 [0,0,1,0,0,1|1,0,1]=4 76 B16R1.608 CC(C)CCNC(=O)C=CC1=CC=CC=C1 CNP0486417.0 [0,0,1,0,0,1|2,0,0]=4 77 B16R1.608 CC(C)CCOC(=O)C=CC1=CC=CC=C1 CNP0002795.0 [0,0,1,0,0,1|1,0,0]=3 78 B16R1.608 CN(C)CCOC(=O)C=CC1=CC=CC=C1 CNP0121597.0 [0,0,1,0,0,1|2,0,0]=4