0 B14R2.8051 CC1=C2C=CC=C(C2=[N+](C=C1)C)O S196592 [0,0,0,0,0,0|3,0,0]=3 1 B14R2.8051 CC1=CC=C(C2=C(C=CN=C12)O)C BBO000771 [0,0,0,0,0,0|3,0,0]=3 2 B14R2.8051 FC1=CC=C(C2=C(C=CN=C12)Br)F BBO000599 [0,0,0,0,0,0|4,0,0]=4 3 B14R2.8051 FC1=CC=C(C2=C(C=CN=C12)Cl)F BBO000308 [0,0,0,0,0,0|4,0,0]=4 4 B14R2.8051 NC1=CC=CC2=C1C(=NN=C2O)O R128465 [0,0,0,0,0,0|3,0,0]=3 5 B14R2.8051 OC1=C2C(=CC=C(C2=NC=C1)F)F BBO000300 [0,0,0,0,0,0|3,0,0]=3 6 B13R2.342 BrC1=CC=CC2=C(C=CN=C12)Br BBO000590 [1,0,0,0,0,0|3,0,0]=4 7 B13R2.342 BrC1=CC=CC2=C1C=CC=C2Br S671576 [1,0,0,0,0,0|2,0,0]=3 8 B13R2.342 CC1=C2N=CC=C(C2=CC=C1)N BBO000078 [1,0,0,0,0,0|3,0,0]=4 9 B13R2.342 CC1=C2N=CC=C(C2=CC=C1)O PH002702 [1,0,0,0,0,0|2,0,0]=3 10 B13R2.342 CC1=CC=CC2=C(C=CN=C12)Cl BBO000712 [1,0,0,0,0,0|3,0,0]=4 11 B13R2.342 ClC1=C2N=CC=C(C2=CC=C1)Br BBO000239 [1,0,0,0,0,0|3,0,0]=4 12 B13R2.342 ClC1=CC=NC2=C(C=CC=C12)Br BBO000222 [1,0,0,0,0,0|3,0,0]=4 13 B13R2.342 FC1=C2N=CC=C(C2=CC=C1)Br BBO000240 [1,0,0,0,0,0|3,0,0]=4 14 B13R2.342 FC1=CC=CC2=C1N=CC=C2Cl BBO000703 [1,0,0,0,0,0|3,0,0]=4 15 B13R2.342 NC1=C2C=CC=C(C2=NC=C1)Br CBR00223 [1,0,0,0,0,0|3,0,0]=4 16 B13R2.342 NC1=CC=CC2=C(C=CC=C12)Br CDS014028 [1,0,0,0,0,0|2,0,0]=3 17 B13R2.342 NC1=CC=CC2=C1C=CC=C2O S706795 [1,0,0,0,0,0|1,0,0]=2 18 B13R2.342 NC1=CC=NC2=C(C=CC=C12)Cl BBO000570 [1,0,0,0,0,0|3,0,0]=4 19 B13R2.342 NC1=CC=NC2=C(C=CC=C12)F BBO000718 [1,0,0,0,0,0|3,0,0]=4 20 B13R2.342 OC1=CC=NC2=C(C=CC=C12)Br BBO000023 [1,0,0,0,0,0|2,0,0]=3 21 B13R2.342 OC1=CC=NC2=C(C=CC=C12)Cl BBO000039 [1,0,0,0,0,0|2,0,0]=3 22 B13R2.371 CC1=C2C=CC=NC2=C(C=C1)Br CDS021083 [1,0,0,0,0,0|3,0,0]=4 23 B13R2.371 CC1=CC=C(C2=CC=CN=C12)O PH017862 [1,0,0,0,0,0|2,0,0]=3 24 B13R2.371 CC1=CC=[N+](C2=C1C=CC=C2)C S395153 [1,0,0,0,0,0|3,0,0]=4 25 B13R2.371 ClC1=CC=C(C2=C1C=CC=C2)I R268704 [1,0,0,0,0,0|2,0,0]=3 26 B13R2.371 FC1=CC=C(C2=CC=CN=C12)Br CDS023642 [1,0,0,0,0,0|3,0,0]=4 27 B13R2.371 NC1=C2C=CC=NC2=C(C=C1)O TMT00194 [1,0,0,0,0,0|2,0,0]=3 28 B13R2.371 NC1=CC=C(C2=C1C=CC=C2)O S57836 [1,0,0,0,0,0|1,0,0]=2 29 B13R2.371 NC1=CC=C(C2=C1N=CC=C2)Br R397679 [1,0,0,0,0,0|3,0,0]=4 30 B13R2.371 O=C1NC=C(C2=CC=CC=C12)Br SYX00211 [1,0,0,0,0,0|2,0,1]=4 31 B13R2.371 OC1=CC=C(C2=C1C=CC=N2)Cl PH017861 [1,0,0,0,0,0|2,0,0]=3 32 B13R2.371 OC1=CC=C(C2=C1N=CC=C2)Cl R277053 [1,0,0,0,0,0|2,0,0]=3 33 B13R2.371 [O-][N+]1=CC=C(C2=C1C=CC=C2)Cl T161721 [1,0,0,0,0,0|2,0,1]=4 34 B13R2.4818 CC1=CC=CC2=C1[N+](=CC=C2)C R461709 [1,0,0,0,0,0|3,0,0]=4 35 B13R2.4818 CC1=CN=CC2=CC=CC(=C12)Br SYX00212 [1,0,0,0,0,0|3,0,0]=4 36 B13R2.4818 ClC1=C2C(=CC=CC2=NC=C1)Br PH019581 [1,0,0,0,0,0|3,0,0]=4 37 B13R2.4818 ClC1=CC=CC2=C1C(=CC=C2)Cl T283169 [1,0,0,0,0,0|2,0,0]=3 38 B13R2.4818 NC1=C2C(=CC=CC2=CC=C1)O T285277 [1,0,0,0,0,0|1,0,0]=2 39 B15R2.14648 CC1=CC=C(C2=C1N=C(C=C2O)C)Cl S647616 [0,1,0,0,0,0|3,0,0]=4 40 B15R2.14648 CC1=NC2=C(C=CC(=C2C(=C1)O)C)C OTV000928 [0,1,0,0,0,0|3,0,0]=4 41 B15R2.89220 COC1=CC=C(C2=NC=CC(=C12)Br)Cl BBO000610 [0,1,0,0,0,0|3,0,0]=4 42 B15R3.10159 BrC1=CC=C2CCC3=C2C1=CC=C3 UPL0001 [0,0,0,1,0,0|3,0,0]=4 43 B12R1.308 C=COC(=O)C1=CC=CC=C1O S375306 [1,0,1,0,0,0|1,0,1]=4 44 B12R2.1081 C[N+]1=CC=CC2=C1C=CC=C2 S706817 [2,0,0,0,0,0|2,0,0]=4 45 B12R2.1081 ClC1=CC=CC2=CC=CN=C12 CDS004725 [2,0,0,0,0,0|2,0,0]=4 46 B12R2.1081 ClC1=CC=CC2=CC=NC=C12 CDS006562 [2,0,0,0,0,0|2,0,0]=4 47 B12R2.1081 FC1=CC=CC2=CC=CN=C12 CDS006871 [2,0,0,0,0,0|2,0,0]=4 48 B12R2.1081 IC1=C2C=CC=NC2=CC=C1 CDS021135 [2,0,0,0,0,0|2,0,0]=4 49 B12R2.1081 NC1=CC=CC2=C1C=CN=C2 S513253 [2,0,0,0,0,0|2,0,0]=4 50 B12R2.1081 NC1=CC=CC2=CC=CC=C12 CDS019944 [2,0,0,0,0,0|1,0,0]=3 51 B12R2.1081 NC1=CC=CC2=CC=NC=C12 CDS020140 [2,0,0,0,0,0|2,0,0]=4 52 B12R2.1081 NC1=CC=NC2=CC=CC=C12 BBO000743 [2,0,0,0,0,0|2,0,0]=4 53 B12R2.1081 NC1=CC=NC2=CC=CC=C12 CDS009704 [2,0,0,0,0,0|2,0,0]=4 54 B12R2.1081 O=C1C=CSC2=C1C=CC=C2 S849510 [2,0,0,0,0,0|1,0,1]=4 55 B12R2.1081 OC1=CC=CC2=C1C=CCC2 PH008627 [2,0,0,0,0,0|0,0,2]=4 56 B12R2.1081 OC1=CC=CC2=C1N=CC=C2 S440892 [2,0,0,0,0,0|1,0,0]=3 57 B12R2.1081 OC1=CC=CC2=CC=NC=C12 CDS007114 [2,0,0,0,0,0|1,0,0]=3 58 B12R2.1081 OC1=CN=CC2=CC=CC=C12 CDS009938 [2,0,0,0,0,0|1,0,0]=3 59 B12R2.1081 [NH+]1=CC=CC2=C1C(=CC=C2)[S-] R396265 [2,0,0,0,0,0|1,1,0]=4 60 B14R1.6046 O=C(O)C1=C(C(=CC=C1O)O)C(=O)O S919470 [0,1,1,0,0,0|2,0,0]=4 61 B14R2.1078 CCC1=CC=CC2=C1N=CC=C2O S581569 [1,1,0,0,0,0|2,0,0]=4 62 B14R2.1078 COC1=C2N=CC=C(C2=CC=C1)Cl BBO000177 [1,1,0,0,0,0|2,0,0]=4 63 B14R2.1078 COC1=CC=CC2=C(C=CN=C12)Br BBO000277 [1,1,0,0,0,0|2,0,0]=4 64 B14R2.1078 COC1=CC=CC2=C(C=CN=C12)O BBO000717 [1,1,0,0,0,0|1,0,0]=3 65 B14R2.1078 COC1=CC=CC2=C(C=CN=C12)O CDS005733 [1,1,0,0,0,0|1,0,0]=3 66 B14R2.8038 CC1=C(C=CC2=C(C=CN=C12)O)Br BBO000312 [1,1,0,0,0,0|2,0,0]=4 67 B14R2.8038 CC1=C(C=CC2=C(C=CN=C12)O)Cl BBO000715 [1,1,0,0,0,0|2,0,0]=4 68 B14R2.8038 CC1=CC=C2C(=CC=NC2=C1C)O BBO000049 [1,1,0,0,0,0|2,0,0]=4 69 B14R2.8038 OC1=C(C=NC2=C(C=CC=C12)Br)Br BBO000329 [1,1,0,0,0,0|2,0,0]=4 70 B14R2.8038 OC1=C(C=NC2=C(C=CC=C12)F)Br BBO000327 [1,1,0,0,0,0|2,0,0]=4 71 B14R2.8038 OC1=C2C=CC(=C(C2=NC=C1)F)F BBO000301 [1,1,0,0,0,0|2,0,0]=4 72 B14R2.8045 CC1=C2N=CC=C(C2=CC(=C1)Cl)O BBO000032 [1,1,0,0,0,0|2,0,0]=4 73 B14R2.8045 CC1=CC(=C2N=CC=C(C2=C1)O)C BBO000048 [1,1,0,0,0,0|2,0,0]=4 74 B14R2.8045 CC1=CC(=C2N=CC=C(C2=C1)O)Cl BBO000037 [1,1,0,0,0,0|2,0,0]=4 75 B14R2.8045 CC1=NC2=C(C=CC=C2C(=C1)O)Br BBO000223 [1,1,0,0,0,0|2,0,0]=4 76 B14R2.8045 CC1=NC2=C(C=CC=C2C(=C1)O)C BBO000042 [1,1,0,0,0,0|2,0,0]=4 77 B14R2.8045 CC1=NC2=C(C=CC=C2C(=C1)O)F BBO000053 [1,1,0,0,0,0|2,0,0]=4 78 B14R2.8045 CC1=NC2=C(C=CC=C2Cl)C(=C1)O BBO000698 [1,1,0,0,0,0|2,0,0]=4 79 B14R2.8045 OC1=CC=NC2=C(C=C(C=C12)Cl)Cl BBO000178 [1,1,0,0,0,0|2,0,0]=4 80 B14R2.1131 CC1=CC=C(C2=C1C=CC=C2)CCl PH014576 [1,1,0,0,0,0|2,0,0]=4 81 B14R2.1131 CC1=CC=C(C2=C1C=CC=C2)CO S929115 [1,1,0,0,0,0|1,0,0]=3 82 B14R2.1131 COC1=C2N=CC=CC2=C(C=C1)Cl PH007974 [1,1,0,0,0,0|2,0,0]=4 83 B14R2.1131 COC1=CC=C(C2=C1C=CC=C2)C S677035 [1,1,0,0,0,0|1,0,0]=3 84 B14R2.1131 COC1=CC=C(C2=C1C=CC=C2)I R268739 [1,1,0,0,0,0|1,0,0]=3 85 B14R2.1131 N#CC1=CC=C(C2=CC=CN=C12)O PH017350 [1,1,0,0,0,0|2,0,0]=4 86 B14R2.1131 N#CC1=CC=C(C2=NC=CC=C12)O PH017864 [1,1,0,0,0,0|2,0,0]=4 87 B14R2.1131 O=CC1=CC=C(C2=NC=CC=C12)O CDS018146 [1,1,0,0,0,0|1,0,1]=4 88 B14R2.1131 O=NC1=CC=C(C2=C1C=CC=C2)O PH007264 [1,1,0,0,0,0|0,0,1]=3 89 B14R2.1131 OC1=C2N=CC=CC2=C(C=C1)CCl TMT00007 [1,1,0,0,0,0|2,0,0]=4 90 B14R2.1131 OCC1=CC=C(C2=C1C=CC=N2)O PH010379 [1,1,0,0,0,0|1,0,0]=3 91 B14R2.7724 NC1=C(C=C(C2=C1C=CC=C2)Br)Br S860042 [1,1,0,0,0,0|2,0,0]=4 92 B14R2.7724 OC1=C(C=C(C2=C1C=CC=C2)Br)Br PH011201 [1,1,0,0,0,0|1,0,0]=3 93 B14R2.8751 CC1=CC=C2C(=CC=C(C2=N1)O)Cl PH008835 [1,1,0,0,0,0|2,0,0]=4 94 B14R2.8751 OC1=CC=C(C2=C1CC=C(C2)Cl)O T306673 [1,1,0,0,0,0|0,0,2]=4 95 B14R2.11635 COC1=CC=CC2=C1C(=CC=C2)N T279714 [1,1,0,0,0,0|1,0,0]=3 96 B14R2.11635 OCC1=CC=CC2=C1C(=CC=C2)Br S57801 [1,1,0,0,0,0|1,0,0]=3 97 B14R2.28480 CC1=CC(=C2C(=CC=NC2=C1)O)C BBO000043 [1,1,0,0,0,0|2,0,0]=4 98 B14R2.28480 OC1=C2C(=CC(=CC2=NC=C1)F)F BBO000306 [1,1,0,0,0,0|2,0,0]=4 99 B14R2.8235 O=C1C=C(C2=CC(=CC=C2O1)Br)O IDF00048 [0,0,1,1,0,0|2,0,0]=4 100 B14R2.2332 O=CC1=CC2=CC=C(C=C2C=C1)O CDS018120 [0,0,1,1,0,0|1,0,1]=4 101 B14R2.24 OC1=C(C=CC=C1)C2=CC=CC=N2 UPL0038 [0,0,1,1,0,0|2,0,0]=4 102 B14R2.1019 O=CC1=NC2=CC=CC=C2C(=C1)O CDS009527 [0,0,1,1,0,0|1,0,1]=4 103 B16R3.29373 O=C1OC2=C3C1=CC=CC3=C(C=C2)Br PH009640 [0,1,0,1,0,0|1,0,1]=4