0 B14R2.256 CC1=C(C2=CSC(N)=N2)C=CC=C1 SY012619 [0,0,0,0,0,0|0,1,2]=3 1 B14R2.256 CC1=CC=CC=C1C2=CC(N)=NN2 SY011836 [0,0,0,0,0,0|3,0,1]=4 2 B14R2.256 CC1=CC=CC=C1C2=NOC(O)=C2 SY122706 [0,0,0,0,0,0|3,0,1]=4 3 B14R2.256 CC1=NC=CC=C1C2=NOC(N)=C2 SY280474 [0,0,0,0,0,0|3,0,1]=4 4 B14R2.256 NC1=CC(C2=CC=CC=C2Br)=NO1 SY012490 [0,0,0,0,0,0|3,0,1]=4 5 B14R2.256 NC1=CC(C2=CC=CC=C2Cl)=NO1 SY012493 [0,0,0,0,0,0|3,0,1]=4 6 B14R2.256 NC1=CC(C2=CC=CC=C2I)=NO1 SY192216 [0,0,0,0,0,0|3,0,1]=4 7 B14R2.256 NC1=NC(C2=C(Br)C=CC=C2)=CS1 SY012620 [0,0,0,0,0,0|1,1,2]=4 8 B14R2.256 NC1=NC(C2=CC=CC=C2Cl)=CS1 SY012607 [0,0,0,0,0,0|1,1,2]=4 9 B13R2.10 NC1=CC(C2=CC=CC=C2)=NO1 SY014437 [1,0,0,0,0,0|2,0,1]=4 10 B13R2.10 NC1=NC(C2=CC=CC=C2)=CO1 SY270923 [1,0,0,0,0,0|0,0,2]=3 11 B13R2.10 NC1=NC(C2=CC=CC=C2)=CS1 SY005299 [1,0,0,0,0,0|0,1,2]=4 12 B13R2.10 NC1=NC(C2=CC=CC=C2)CC1 SY262882 [1,0,0,0,0,0|1,0,0]=2 13 B13R2.10 NC1=NNC(C2=CC=CC=C2)=N1 SY007375 [1,0,0,0,0,0|2,0,1]=4 14 B13R2.10 O=C1CC(C2=CC=CC=C2)CN1 SY031841 [1,0,0,0,0,0|3,0,0]=4 15 B13R2.10 O=C1NC(C2=CC=CC=C2)CO1 SY037846 [1,0,0,0,0,0|1,0,1]=3 16 B13R2.10 O=C1N[C@@H](C2=CC=CC=C2)CO1 SY013456 [1,0,0,0,0,0|1,0,1]=3 17 B13R2.10 O=C1N[C@H](C2=CC=CC=C2)CO1 SY020305 [1,0,0,0,0,0|1,0,1]=3 18 B15R2.290 CC1=CC=C(Br)C=C1C2=NOC(N)=C2 SY280521 [0,1,0,0,0,0|2,0,1]=4 19 B15R2.290 CC1=CC=C(F)C=C1C2=NOC(N)=C2 SY280508 [0,1,0,0,0,0|2,0,1]=4 20 B15R2.303 CC1=C(C)C(C2=NOC(N)=C2)=CC=C1 SY280480 [0,1,0,0,0,0|2,0,1]=4 21 B15R2.303 CC1=C(I)C=CC=C1C2=NOC(N)=C2 SY280600 [0,1,0,0,0,0|2,0,1]=4 22 B15R2.1153 CC1=CC(F)=CC=C1C2=NOC(N)=C2 SY280535 [0,1,0,0,0,0|2,0,1]=4 23 B15R2.1153 CC1=CC=C(C2=NOC(N)=C2)C(C)=C1 SY175244 [0,1,0,0,0,0|2,0,1]=4 24 B15R2.6956 CC1=C(C2=NOC(N)=C2)C(F)=CC=C1 SY280511 [0,1,0,0,0,0|2,0,1]=4 25 B13R1.201 CC1=CC=CC=C1C(N)CC(=O)O SY026387 [0,0,1,0,0,0|3,0,0]=4 26 B13R1.528 COC(=O)CCC1=CC=CC=C1Br SY017608 [0,0,1,0,0,0|3,0,0]=4 27 B15R3.2009 [C@H]12CC3=C(C=CC=C3)[C@H]1NC(=O)O2 SY223970 [0,0,0,1,0,0|1,0,1]=3 28 B13R2.216 O=C1CC(C2=CC=CC=C2Cl)C1 SY033757 [0,0,0,0,1,0|3,0,0]=4 29 B12R1.107 CC(CC(N)=O)C1=CC=CC=C1 SY249488 [1,0,1,0,0,0|1,0,1]=4 30 B12R1.107 C[C@@H](CC(=O)O)C1=CC=CC=C1 SY231348 [1,0,1,0,0,0|2,0,0]=4 31 B12R1.107 C[C@H](CC(=O)O)C1=CC=CC=C1 SY226436 [1,0,1,0,0,0|2,0,0]=4 32 B12R1.125 CC1=CC=CC=C1CCC(=O)O SY017785 [1,0,1,0,0,0|2,0,0]=4 33 B12R1.27 COC(=O)CCC1=CC=CC=C1 SY017877 [1,0,1,0,0,0|2,0,0]=4 34 B14R1.727 COC(=O)CCC1=CC=C(O)C=C1C SY026463 [0,1,1,0,0,0|2,0,0]=4 35 B14R2.972 COC(=O)C1CC2=C(C=CC=C2)C1 SY034832 [0,0,1,1,0,0|2,0,0]=4 36 B12R1.124 CC1=CC=CC=C1C(F)C(=O)O SY263430 [0,0,1,0,1,0|2,0,0]=4 37 B12R1.371 COC(=O)CC1=C(O)C=CC=C1 SY032006 [0,0,1,0,1,0|2,0,0]=4 38 B12R1.371 COC(=O)CC1=CC=CC=C1Br SY023296 [0,0,1,0,1,0|2,0,0]=4 39 B12R1.371 COC(=O)CC1=CC=CC=C1C SY106492 [0,0,1,0,1,0|1,0,0]=3 40 B12R1.371 COC(=O)CC1=CC=CC=C1Cl SY021282 [0,0,1,0,1,0|2,0,0]=4 41 B12R1.371 COC(=O)CC1=CC=CC=C1F SY258978 [0,0,1,0,1,0|2,0,0]=4 42 B12R1.371 COC(=O)CC1=CC=CC=C1I SY311934 [0,0,1,0,1,0|2,0,0]=4 43 B12R2.22 O=C1CC(C2=CC=CC=C2)C1 SY029843 [1,0,0,0,1,0|2,0,0]=4 44 B12R2.517 CC1=CC=CC=C1C2CNC2 SY267184 [1,0,0,0,1,0|1,0,1]=4 45 B12R2.517 CC1=CC=CC=C1C2CNC2 SY267185 [1,0,0,0,1,0|1,0,1]=4 46 B14R2.21 O=C1COCC(C2=CC=CC=C2)N1 SY030001 [1,0,0,0,0,1|1,0,1]=4 47 B14R2.21 O=C1COC[C@H](C2=CC=CC=C2)N1 SY207241 [1,0,0,0,0,1|1,0,1]=4