0 B9R1.6 CC(=O)C1=CC=CC=C1 SBB040241 [0,0,0,0,0,0|2,0,2]=4 1 B9R1.6 CC(=O)C1=CC=NC=C1 SBB040256 [0,0,0,0,0,0|3,0,1]=4 2 B9R1.6 CC(=O)C1=CN=CC=C1 SBB040255 [0,0,0,0,0,0|2,0,2]=4 3 B9R1.6 CC(=O)C1=CN=CC=N1 SBB006738 [0,0,0,0,0,0|1,0,3]=4 4 B9R1.6 CC(=O)C1=NC=CC=C1 SBB058824 [0,0,0,0,0,0|1,0,3]=4 5 B9R1.6 NC(=O)C1CCCCN1 SBB085724 [0,0,0,0,0,0|2,0,2]=4 6 B9R1.6 NC(=O)C1CNCCN1 SBB056122 [0,0,0,0,0,0|2,0,2]=4 7 B9R1.6 O=C(O)C1CSCCN1 SBB053350 [0,0,0,0,0,0|1,0,2]=3 8 B9R1.6 O=C(O)[C@@H]1CCCCN1 SBB006732 [0,0,0,0,0,0|2,0,2]=4 9 B9R1.6 OC(=O)C1=CCCCC1 SBB006589 [0,0,0,0,0,0|3,0,0]=3 10 B9R1.6 OC(=O)C1CNCCN1 SBB004226 [0,0,0,0,0,0|2,0,2]=4 11 B8R1.2 O=CC1=CCCOC1 SBB018863 [1,0,0,0,0,0|1,1,1]=4 12 B10R1.15 COC(=O)C1=CCCCC1 SBB008621 [0,1,0,0,0,0|2,0,0]=3 13 B10R1.15 COC(=O)C1CCCCN1 SBB079224 [0,1,0,0,0,0|1,0,2]=4 14 B10R1.61 CC(=O)C1CCCCC1=O SBB056190 [0,1,0,0,0,0|2,0,1]=4 15 B8R0.8 CCCCC(=O)C(C)=O SBB008584 [0,0,1,0,0,0|2,0,1]=4 16 B8R0.8 CCCCC(N)C(C)=O SBB014561 [0,0,1,0,0,0|1,0,2]=4 17 B8R1.7 CC(=O)C1=CC=CN1 SBB066752 [0,0,0,0,1,0|0,0,2]=3 18 B8R1.7 CC(=O)C1=CC=CO1 SBB040248 [0,0,0,0,1,0|1,0,2]=4 19 B8R1.7 CC(=O)C1=CC=CS1 SBB038710 [0,0,0,0,1,0|1,0,2]=4 20 B8R1.7 CC(=O)C1=CC=NN1 SBB086523 [0,0,0,0,1,0|1,0,1]=3 21 B8R1.7 CC(=O)C1=CSC=C1 SBB048022 [0,0,0,0,1,0|0,0,2]=3 22 B8R1.7 CC(=O)C1=NC=CS1 SBB085685 [0,0,0,0,1,0|0,0,3]=4 23 B8R1.7 CN(N)C1=NCCN1 SBB028402 [0,0,0,0,1,0|3,0,0]=4 24 B8R1.7 NC(=O)C1=NCCN1 SBB013487 [0,0,0,0,1,0|2,0,0]=3 25 B8R1.7 NC(=O)C1CCCN1 SBB004067 [0,0,0,0,1,0|1,0,2]=4 26 B8R1.7 NC(=O)[C@@H]1CCCN1 SBB006531 [0,0,0,0,1,0|1,0,2]=4 27 B8R1.7 O=C(Cl)C1=CSC=C1 SBB053641 [0,0,0,0,1,0|1,0,2]=4 28 B8R1.7 O=C(Cl)C1=CSC=N1 SBB053647 [0,0,0,0,1,0|1,0,2]=4 29 B8R1.7 O=C(O)C1=CC=CN1 SBB004332 [0,0,0,0,1,0|1,0,2]=4 30 B8R1.7 O=C(O)C1=CN=CN1 SBB004323 [0,0,0,0,1,0|2,0,1]=4 31 B8R1.7 O=C(O)C1=CSC=C1 SBB004240 [0,0,0,0,1,0|1,0,2]=4 32 B8R1.7 O=C(O)C1=CSC=N1 SBB010166 [0,0,0,0,1,0|1,0,2]=4 33 B8R1.7 O=C(O)C1=CSN=N1 SBB028456 [0,0,0,0,1,0|2,0,1]=4 34 B8R1.7 O=C(O)C1C=CCN1 SBB053088 [0,0,0,0,1,0|1,0,2]=4 35 B8R1.7 O=C(O)[C@@H]1CSCN1 SBB015063 [0,0,0,0,1,0|1,0,2]=4 36 B8R1.7 O=C(O)[C@H]1CCCN1 SBB006712 [0,0,0,0,1,0|1,0,2]=4 37 B8R1.7 OC(=O)C1SCCN1 SBB027340 [0,0,0,0,1,0|1,0,1]=3 38 B10R1.18 O=C(O)CC1=CCCCC1 SBB008386 [0,0,0,0,0,1|3,0,0]=4 39 B7R0.4 CCC\C=C\C(=O)O SBB009088 [1,0,1,0,0,0|2,0,0]=4 40 B7R0.5 CC\C=C(/C)C(=O)O SBB069108 [1,0,1,0,0,0|2,0,0]=4 41 B7R1.3 O=C1C=CCCC1 SBB008209 [2,0,0,0,0,0|2,0,0]=4 42 B7R1.3 O=C1CNCCN1 SBB000034 [2,0,0,0,0,0|1,0,1]=4 43 B9R1.11 COC(=O)C1=CC=CN1 SBB013762 [0,1,0,0,1,0|0,0,2]=4 44 B9R1.11 COC(=O)C1=CSC=C1 SBB066577 [0,1,0,0,1,0|0,0,2]=4 45 B9R1.11 COC(=O)C1=CSC=N1 SBB066586 [0,1,0,0,1,0|0,0,2]=4 46 B9R1.11 COC(=O)C1CCCN1 SBB046302 [0,1,0,0,1,0|0,0,2]=4 47 B9R1.11 COC(=O)C1CCCN1 SBB054027 [0,1,0,0,1,0|0,0,2]=4 48 B9R1.11 COC(=O)[C@@H]1CCCN1 SBB003904 [0,1,0,0,1,0|0,0,2]=4 49 B9R1.35 CC(=O)C1=CSC(C)=N1 SBB109134 [0,1,0,0,1,0|0,0,2]=4 50 B9R1.35 CC(=O)C1=CSC(N)=N1 SBB066604 [0,1,0,0,1,0|0,0,2]=4 51 B9R1.41 CC(=O)C1=CC=CN1C SBB067044 [0,1,0,0,1,0|0,0,2]=4 52 B9R1.41 CC(=O)C1=CC=NN1C SBB021678 [0,1,0,0,1,0|1,0,1]=4 53 B9R1.41 CC(=O)C1CCOC1=O SBB040834 [0,1,0,0,1,0|0,1,1]=4 54 B9R1.41 CC(=O)N1CCCC1=O SBB007922 [0,1,0,0,1,0|2,0,0]=4 55 B9R1.7 CC1=CC=C(CCN)S1 SBB027633 [0,0,1,1,0,0|1,1,0]=4 56 B9R1.7 CC1=NN(CCN)C=C1 SBB009659 [0,0,1,1,0,0|2,0,0]=4 57 B9R1.23 CCN1C=C(N)C(C)=N1 SBB009354 [0,0,1,1,0,0|2,0,0]=4 58 B11R2.10 O=C1SC2=C(SCCS2)S1 SBB094086 [0,0,0,1,0,1|2,0,0]=4 59 B7R1.1 C(=O)C1=CN=CN1 SBB004381 [1,0,0,0,1,0|1,0,1]=4 60 B7R1.1 C(=O)C1=CN=CN1 SBB004382 [1,0,0,0,1,0|1,0,1]=4 61 B7R1.1 C(=O)C1=CSC=C1 SBB004320 [1,0,0,0,1,0|0,0,2]=4 62 B7R1.1 CSC1=NCCN1 SBB055871 [1,0,0,0,1,0|2,0,0]=4 63 B7R1.1 N1CCN=C1SC SBB037853 [1,0,0,0,1,0|2,0,0]=4 64 B7R1.1 O=CC1=CC=CN1 SBB004389 [1,0,0,0,1,0|0,0,2]=4 65 B7R1.1 O=CC1=CC=CN1 SBB004390 [1,0,0,0,1,0|0,0,2]=4 66 B7R1.1 O=CC1=CSC=N1 SBB047478 [1,0,0,0,1,0|0,0,2]=4 67 B7R1.1 O=CC1=CSN=N1 SBB052333 [1,0,0,0,1,0|1,0,1]=4 68 B7R1.18 O=C(O)C1CCN1 SBB053470 [0,0,0,0,2,0|1,0,1]=4 69 B7R1.18 O=C(O)[C@@H]1CCN1 SBB004365 [0,0,0,0,2,0|1,0,1]=4