0 B15R2.9032 CC1=C(C2=C(C=CC=C2)C(=C1Br)O)O S803774 [0,0,0,0,0,0|1,0,2]=3 1 B15R2.9032 CC1=C(C2=C(C=CC=C2)C(=C1Cl)C)C S58794 [0,0,0,0,0,0|3,0,0]=3 2 B15R2.9032 CN1C(=O)C(=O)C2=CC=CC=C2C1=O R429333 [0,0,0,0,0,0|2,0,0]=2 3 B15R2.9032 CN1C(=O)C2=C(C=CC=C2)N(C1=O)C S512702 [0,0,0,0,0,0|4,0,0]=4 4 B15R2.9032 O=C1C(=C(C(=O)C2=C1C=CC=N2)Cl)Cl TMT00350 [0,0,0,0,0,0|3,0,0]=3 5 B15R2.9032 O=C1C2=C(C=CC=C2)C(=O)C(C1O)Cl R411299 [0,0,0,0,0,0|2,0,2]=4 6 B15R2.9032 O=C1C2=CC=CC=C2C(=O)C(=C1O)Cl PH010057 [0,0,0,0,0,0|2,0,0]=2 7 B14R2.7724 CC1=[N+](C2=C(C=CC=C2)C(=C1)Cl)C S512214 [1,0,0,0,0,0|3,0,0]=4 8 B14R2.7724 CC1=[N+](C2=C(C=CC=C2)C(=C1)Cl)C S515639 [1,0,0,0,0,0|3,0,0]=4 9 B14R2.7724 CC1CC(=O)C2=C(S1=O)C=CC=C2 PH010711 [1,0,0,0,0,0|1,0,2]=4 10 B14R2.7724 CN1NC(=O)C2=C(C1=O)C=CC=C2 PH000404 [1,0,0,0,0,0|2,0,0]=3 11 B14R2.7724 NC1=C(C=C(C2=C1C=CC=C2)Br)Br S860042 [1,0,0,0,0,0|3,0,0]=4 12 B14R2.7724 OC1=C(C=C(C2=C1C=CC=C2)Br)Br PH011201 [1,0,0,0,0,0|2,0,1]=4 13 B14R2.8188 CC1=CC2=C(C=CC=C2)C(=C1C)I R268623 [1,0,0,0,0,0|1,0,0]=2 14 B14R2.8188 CC1=CC2=C(C=CC=N2)C(=O)N1O PH009667 [1,0,0,0,0,0|3,0,0]=4 15 B14R2.8188 CC1=NC2=C(C=CC=C2)C(=O)N1C PH009348 [1,0,0,0,0,0|2,0,0]=3 16 B14R2.8188 CC1=NC2=CC=CC=C2C(=C1Br)Cl BBO000651 [1,0,0,0,0,0|3,0,0]=4 17 B14R2.8188 CC1=NC2=CC=CC=C2C(=C1Br)N CDS022707 [1,0,0,0,0,0|3,0,0]=4 18 B14R2.8188 CC1=NC2=CC=CC=C2C(=C1Cl)Br BBO000648 [1,0,0,0,0,0|3,0,0]=4 19 B14R2.8188 CC1=NC2=CC=CC=C2C(=O)N1O R245895 [1,0,0,0,0,0|3,0,0]=4 20 B14R2.8188 CC1NC2=C(C=CC=C2)C(=O)N1C PH008318 [1,0,0,0,0,0|2,0,1]=4 21 B14R2.8188 CN1C(=O)C2=C(C=CC=C2)NC1=S PH003631 [1,0,0,0,0,0|3,0,0]=4 22 B14R2.8188 CN1C(=O)NC2=CC=CC=C2C1=O TMT00237 [1,0,0,0,0,0|3,0,0]=4 23 B14R2.8188 CN1C(=O)OC2=C(C1=O)C=CC=C2 PH009096 [1,0,0,0,0,0|3,0,0]=4 24 B16R2.8682 COC1=C(C(=O)C2=C(C1=O)C=CC=C2)C S956163 [0,1,0,0,0,0|0,0,0]=1 25 B16R2.8682 CSC1=C(C(=O)C2=C(C1=O)C=CC=C2)C PH009184 [0,1,0,0,0,0|0,0,0]=1 26 B16R2.133343 CC1=CC2=C(C=C1)C(=O)C(=C(C2=O)Cl)Cl T305596 [0,1,0,0,0,0|2,0,0]=3 27 B14R1.746 COC(=O)C1=C(N=CC=C1)C(=O)OC S288039 [0,0,1,0,0,0|3,0,0]=4 28 B14R1.746 COC(=O)C1=CC=NC=C1C(=O)OC S877247 [0,0,1,0,0,0|3,0,0]=4 29 B14R2.5591 CC1=C(C(=O)C2=NSN=C2C1=O)C T305340 [0,0,0,0,1,0|3,0,0]=4 30 B13R2.32 CC1=C(C2=C(C=CC=C2)C=C1)N S779156 [2,0,0,0,0,0|1,0,0]=3 31 B13R2.32 CC1=C(C2=C(C=CC=C2)N=C1)C PH006874 [2,0,0,0,0,0|2,0,0]=4 32 B13R2.32 CC1=[N+](C2=C(C=CC=C2)C=C1)C S11313 [2,0,0,0,0,0|2,0,0]=4 33 B13R2.32 CC1=[N+](C2=C(C=CC=C2)C=C1)C S832863 [2,0,0,0,0,0|2,0,0]=4 34 B13R2.32 CN1C=NC2=CC=CC=C2C1=O PH003333 [2,0,0,0,0,0|2,0,0]=4 35 B13R2.32 NC1=C(C2=C(C=CC=C2)C=C1)Cl S287989 [2,0,0,0,0,0|2,0,0]=4 36 B13R2.32 NC1=C(C2=CC=CC=C2C=C1)O CDS000188 [2,0,0,0,0,0|1,0,1]=4 37 B13R2.328 CC1=CC(=O)N2=CC=CC=C2N1 OTV000974 [2,0,0,0,0,0|2,0,0]=4 38 B13R2.328 CC1=CC(=O)N2C=CC=CC2=N1 T320765 [2,0,0,0,0,0|2,0,0]=4 39 B13R2.371 ClC1=CC=C(C2=C1C=CC=C2)I R268704 [2,0,0,0,0,0|2,0,0]=4 40 B13R2.371 NC1=CC=C(C2=C1C=CC=C2)O S57836 [2,0,0,0,0,0|1,0,1]=4 41 B13R2.371 O=C1NC=C(C2=CC=CC=C12)Br SYX00211 [2,0,0,0,0,0|2,0,0]=4 42 B13R2.369 CC1=C(C=C2C=CC=CC2=C1)C S295175 [2,0,0,0,0,0|0,0,0]=2 43 B13R2.369 CC1=C(C=C2N=CC=NC2=C1)C L168912 [2,0,0,0,0,0|2,0,0]=4 44 B13R2.369 CC1=CC2=C(C=CC=C2)C=[N+]1C S676535 [2,0,0,0,0,0|1,0,0]=3 45 B13R2.369 CC1=CC2=C(C=CC=C2)OC1=O PH003698 [2,0,0,0,0,0|2,0,0]=4 46 B13R2.369 CC1=NC2=C(C=CC=C2)N=C1C R530735 [2,0,0,0,0,0|2,0,0]=4 47 B15R1.812 CCNC(=O)C1=C(C=CC=C1)C(=O)OC S871672 [0,1,1,0,0,0|1,0,1]=4 48 B15R1.38521 COC(=O)C1=C(C=C(C=C1)N)C(=O)OC S744867 [0,1,1,0,0,0|2,0,0]=4 49 B15R2.6124 COC1=C(C=C(C2=C1C=CC=C2)C)C S13200 [1,1,0,0,0,0|1,0,1]=4 50 B15R2.19973 NCC1=CC(=C2C=CC=CC2=C1O)Cl PH014709 [1,1,0,0,0,0|1,0,1]=4 51 B15R2.21211 CC1=C(C2=C(C=CC=C2)C(=C1)[N+]#N)Br S664510 [1,1,0,0,0,0|2,0,0]=4 52 B15R2.274 CC1=NC2=CC=CC=C2C(=C1CO)O T323853 [1,1,0,0,0,0|1,0,1]=4 53 B15R2.274 CON1C(=O)C2=CC=CC=C2N=C1C PH007575 [1,1,0,0,0,0|2,0,0]=4 54 B17R2.15771 CSC1=C(C(=O)C2=C(C1=O)C=CC=C2)SC R164259 [0,2,0,0,0,0|0,0,0]=2 55 B17R2.76787 CCOC1=C(C(=O)C2=C(C1=O)C=CC=C2)Cl S970913 [0,2,0,0,0,0|1,0,0]=3 56 B17R2.155690 CN(C)C1=C(C(=O)C2=C(C1=O)C=CC=C2)Cl S138444 [0,2,0,0,0,0|1,0,0]=3 57 B17R2.155690 CS(=C1C(=O)C(=O)C2=C(C1=O)C=CC=C2)C R539953 [0,2,0,0,0,0|1,0,0]=3 58 B17R2.15517 CC1=C(C2=C(C=CC=C2)C(=C1C)CCl)CCl S57984 [0,2,0,0,0,0|2,0,0]=4 59 B17R2.412730 O=C1C(=C(C(=O)C2=C1C=CC(=C2)CCl)Cl)Cl T305405 [0,2,0,0,0,0|2,0,0]=4 60 B17R3.1007403 CC12CC1(C(=O)C3=C(C2=O)C=CC=C3)C S56929 [0,0,0,1,0,1|0,0,2]=4 61 B17R3.35398 CN1C2=C(C=CC=C2)C(=O)C3=C1CCC3 S336335 [0,1,0,1,0,0|2,0,0]=4 62 B17R3.35398 O=C1C2=NSN=C2C(=O)C3=C1C=CC=C3 T304433 [0,1,0,1,0,0|2,0,0]=4 63 B17R3.35398 O=C1C2=N[Se]N=C2C(=O)C3=C1C=CC=C3 T305448 [0,1,0,1,0,0|2,0,0]=4 64 B13R2.3085 C1(C(=O)C2=C(C1=O)C=CC=C2)C R152196 [1,0,0,0,1,0|0,0,1]=3 65 B15R1.3847 CNC(=O)NC1=C(C=CC=C1)C(=O)OC PH007951 [0,0,1,0,0,1|2,0,0]=4 66 B15R2.991 CC1=CC2=C(C=CC=C2)C=C(C1=O)C S57895 [1,0,0,0,0,1|2,0,0]=4