0 B15R2.9032 CC1=C(C2=C(C=CC=C2)C(=C1Br)O)O S803774 [0,0,0,0,0,0|3,0,0]=3 1 B15R2.9032 CC1=C(C2=C(C=CC=C2)C(=C1Cl)C)C S58794 [0,0,0,0,0,0|1,0,0]=1 2 B15R2.9032 CN1C(=O)C(=O)C2=CC=CC=C2C1=O R429333 [0,0,0,0,0,0|4,0,0]=4 3 B15R2.9032 CN1C(=O)C(=O)N(C2=CC=CC=C12)C TMT00233 [0,0,0,0,0,0|4,0,0]=4 4 B15R2.9032 CN1C(=O)C2=C(C=CC=C2)N(C1=O)C S512702 [0,0,0,0,0,0|4,0,0]=4 5 B15R2.9032 O=C1C2=CC=CC=C2C(=O)C(=C1O)Cl PH010057 [0,0,0,0,0,0|4,0,0]=4 6 B14R2.7724 CC1=CC(=O)N(C2=C1C=CC=C2)C PH005171 [1,0,0,0,0,0|2,0,0]=3 7 B14R2.7724 CC1=[N+](C2=C(C=CC=C2)C(=C1)Cl)C S512214 [1,0,0,0,0,0|2,0,0]=3 8 B14R2.7724 CC1=[N+](C2=C(C=CC=C2)C(=C1)Cl)C S515639 [1,0,0,0,0,0|2,0,0]=3 9 B14R2.7724 NC1=C(C=C(C2=C1C=CC=C2)Br)Br S860042 [1,0,0,0,0,0|3,0,0]=4 10 B14R2.7724 OC1=C(C=C(C2=C1C=CC=C2)Br)Br PH011201 [1,0,0,0,0,0|3,0,0]=4 11 B14R2.8188 CC1=C(C(=C2C=CC=NC2=N1)C)Br T314560 [1,0,0,0,0,0|3,0,0]=4 12 B14R2.8188 CC1=CC2=C(C=CC=C2)C(=C1C)I R268623 [1,0,0,0,0,0|1,0,0]=2 13 B14R2.8188 CC1=NC2=C(C=CC=C2)C(=O)N1C PH009348 [1,0,0,0,0,0|3,0,0]=4 14 B14R2.8188 CC1=NC2=C(C=CC=C2)N(C1=O)C PH009988 [1,0,0,0,0,0|3,0,0]=4 15 B14R2.8188 CC1=NC2=CC=CC=C2C(=C1Br)Cl BBO000651 [1,0,0,0,0,0|3,0,0]=4 16 B14R2.8188 CC1=NC2=CC=CC=C2C(=C1Br)N CDS022707 [1,0,0,0,0,0|3,0,0]=4 17 B14R2.8188 CC1=NC2=CC=CC=C2C(=C1Cl)Br BBO000648 [1,0,0,0,0,0|3,0,0]=4 18 B16R2.8682 CCC1=C(C2=CC=CC=C2N(C1=O)C)O T309281 [0,1,0,0,0,0|3,0,0]=4 19 B16R2.8682 COC1=C(C(=O)C2=C(C1=O)C=CC=C2)C S956163 [0,1,0,0,0,0|2,0,0]=3 20 B16R2.8682 CSC1=C(C(=O)C2=C(C1=O)C=CC=C2)C PH009184 [0,1,0,0,0,0|2,0,0]=3 21 B13R1.11 CNC(=O)/C=C(\C)/C1=CC=CC=C1 PH006947 [1,0,1,0,0,0|2,0,0]=4 22 B13R1.11 COC(=O)/C=C(/C)\C1=CC=CC=C1 S882089 [1,0,1,0,0,0|2,0,0]=4 23 B13R2.32 CC1=C(C2=C(C=CC=C2)C=C1)N S779156 [2,0,0,0,0,0|1,0,0]=3 24 B13R2.32 CC1=C(C2=C(C=CC=C2)N=C1)C PH006874 [2,0,0,0,0,0|1,0,0]=3 25 B13R2.32 CC1=C(C=NC2=C1C=CC=C2)N R262064 [2,0,0,0,0,0|2,0,0]=4 26 B13R2.32 CC1=[N+](C2=C(C=CC=C2)C=C1)C S11313 [2,0,0,0,0,0|1,0,0]=3 27 B13R2.32 CC1=[N+](C2=C(C=CC=C2)C=C1)C S832863 [2,0,0,0,0,0|1,0,0]=3 28 B13R2.32 CN1C(=S)C=CC2=C1C=CC=C2 S628654 [2,0,0,0,0,0|2,0,0]=4 29 B13R2.32 NC1=C(C2=C(C=CC=C2)C=C1)Cl S287989 [2,0,0,0,0,0|2,0,0]=4 30 B13R2.32 NC1=C(C2=CC=CC=C2C=C1)O CDS000188 [2,0,0,0,0,0|2,0,0]=4 31 B13R2.328 CC1=CC(=NC2=CC=CC=C12)N BBO000578 [2,0,0,0,0,0|2,0,0]=4 32 B13R2.328 CC1=CC(=NC2=CC=CC=[N+]12)C S29859 [2,0,0,0,0,0|2,0,0]=4 33 B13R2.328 CC1=CC(=O)OC2=C1C=CC=C2 S97102 [2,0,0,0,0,0|2,0,0]=4 34 B13R2.371 CC1=C2C=CC=NC2=C(C=C1)Br CDS021083 [2,0,0,0,0,0|2,0,0]=4 35 B13R2.371 CC1=CC=C(C2=CC=CN=C12)O PH017862 [2,0,0,0,0,0|2,0,0]=4 36 B13R2.371 CC1=CC=[N+](C2=C1C=CC=C2)C S395153 [2,0,0,0,0,0|1,0,0]=3 37 B13R2.371 ClC1=CC=C(C2=C1C=CC=C2)I R268704 [2,0,0,0,0,0|2,0,0]=4 38 B13R2.371 NC1=CC=C(C2=C1C=CC=C2)O S57836 [2,0,0,0,0,0|2,0,0]=4 39 B13R2.369 CC1=C(C=C2C=CC=CC2=C1)C S295175 [2,0,0,0,0,0|0,0,0]=2 40 B13R2.369 CC1=C(C=C2N=CC=NC2=C1)C L168912 [2,0,0,0,0,0|2,0,0]=4 41 B13R2.369 CC1=CC2=C(C=CC=C2)C=[N+]1C S676535 [2,0,0,0,0,0|1,0,0]=3 42 B13R2.369 CC1=CC2=C(C=CC=C2)OC1=O PH003698 [2,0,0,0,0,0|2,0,0]=4 43 B13R2.369 CC1=NC2=C(C=CC=C2)N=C1C R530735 [2,0,0,0,0,0|2,0,0]=4 44 B15R2.6124 CC[N+]1=C(C=C(C2=C1C=CC=C2)C)C S14843 [1,1,0,0,0,0|1,0,0]=3 45 B15R2.6124 COC1=C(C=C(C2=C1C=CC=C2)Br)Br S595918 [1,1,0,0,0,0|2,0,0]=4 46 B15R2.6124 COC1=C(C=C(C2=C1C=CC=C2)C)C S13200 [1,1,0,0,0,0|0,0,0]=2 47 B15R2.19973 NCC1=CC(=C2C=CC=CC2=C1O)Cl PH014709 [1,1,0,0,0,0|2,0,0]=4 48 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 49 B15R2.21211 COC1=CC(=[N+](C2=C1C=CC=C2)C)C S873101 [1,1,0,0,0,0|1,0,0]=3 50 B15R2.63814 CC1=CC2=C(C=C1)N(C(=O)C=C2C)C PH009202 [1,1,0,0,0,0|2,0,0]=4 51 B15R2.274 CC1=NC2=CC=CC=C2C(=C1CO)O T323853 [1,1,0,0,0,0|2,0,0]=4 52 B15R2.274 CCC1=C([N+]2=C(C=CC=C2)N=C1C)C S14193 [1,1,0,0,0,0|2,0,0]=4 53 B15R2.21243 CC1=C(C(=NC2=CC=CC=C12)CCl)Cl CDS022420 [1,1,0,0,0,0|2,0,0]=4 54 B15R2.21243 CN1C(=O)C(=CC2=CC=CC=C12)CO T326062 [1,1,0,0,0,0|2,0,0]=4 55 B15R2.63893 CC1=C(C2=C(C=C(C=C2)O)OC1=O)C R104418 [1,1,0,0,0,0|2,0,0]=4 56 B17R2.15771 CSC1=C(C(=O)C2=C(C1=O)C=CC=C2)SC R164259 [0,2,0,0,0,0|2,0,0]=4 57 B17R2.15517 CC1=C(C2=C(C=CC=C2)C(=C1C)CCl)CCl S57984 [0,2,0,0,0,0|0,0,0]=2 58 B15R3.2013 CC1=CC2CCC1C3=CC=CC=C23 T196606 [1,0,0,1,0,0|0,0,2]=4 59 B17R3.35398 CN1C2=C(C=CC=C2)C(=O)C3=C1CCC3 S336335 [0,1,0,1,0,0|2,0,0]=4 60 B13R2.3085 CC1=[N+](C2=C(N1C)C=CC=C2)C S30032 [1,0,0,0,1,0|2,0,0]=4 61 B13R2.11617 CC1=C(C2=C(CC2)C(=C1C)C)C S58239 [0,0,0,0,2,0|0,0,2]=4 62 B15R2.991 CC1=CC2=C(C=CC=C2)C=C(C1=O)C S57895 [1,0,0,0,0,1|1,0,0]=3