0 B13R2.328 CC1=NC2=C(C=CC=C2)C(=O)O1 O10832 [0,0,0,0,0,0|3,0,0]=3 1 B13R2.328 CC1=NC2=NC=CC=C2C(O)=N1 AT14194 [0,0,0,0,0,0|3,0,0]=3 2 B13R2.328 O=C1C=C(O)N=C2C=CC=CN12 D74340 [0,0,0,0,0,0|4,0,0]=4 3 B13R2.328 O=C1C=C(O)NC2=C1C=CC=C2 O10804 [0,0,0,0,0,0|3,0,1]=4 4 B13R2.328 O=C1NC(=S)NC2=C1C=CC=C2 AT22486 [0,0,0,0,0,0|2,0,2]=4 5 B13R2.328 OC1=NC2=NC=CC=C2C(O)=N1 VT1465 [0,0,0,0,0,0|3,0,0]=3 6 B13R2.328 [O-]C1=CC(O)=NC2=CC=CC=C12 D89686 [0,0,0,0,0,0|3,0,0]=3 7 B12R2.24 CC1=CC2=CC=CC=C2C=N1 63496 [1,0,0,0,0,0|2,0,0]=3 8 B12R2.24 NC1=NC2=CC=CC=C2N=N1 D78676 [1,0,0,0,0,0|1,0,0]=2 9 B12R2.24 OC1=NC2=CC=CC=C2N=C1 P50007 [1,0,0,0,0,0|3,0,0]=4 10 B12R2.1081 CC1=CC=NC2=CC=CC=C12 H10212 [1,0,0,0,0,0|2,0,0]=3 11 B12R2.1081 ClC1=CC=CC2=CC=CC=C12 D89503 [1,0,0,0,0,0|3,0,0]=4 12 B12R2.1081 NC1=CN=CC2=CC=CC=C12 F14134 [1,0,0,0,0,0|3,0,0]=4 13 B12R2.1081 O=C1N=CN=C2NN=CC=C12 27791 [1,0,0,0,0,0|3,0,0]=4 14 B12R2.1081 O=C1NC=NC2=C1C=CC=N2 37327 [1,0,0,0,0,0|2,0,1]=4 15 B12R2.1081 S=C1NC=NC2=C1C=CC=C2 D74560 [1,0,0,0,0,0|1,0,1]=3 16 B12R2.1081 [O-][N+]1=CC=NC2=CC=CC=C21 D95404 [1,0,0,0,0,0|3,0,0]=4 17 B14R2.1019 ClCC1=NC2=CC=CC=C2C(Cl)=N1 A10416 [0,1,0,0,0,0|2,0,0]=3 18 B14R2.1146 COC1=CC(Br)=NC2=CC=CC=C21 83955 [0,1,0,0,0,0|3,0,0]=4 19 B14R2.8045 CC1=CC(N)=C2C=CC=C(F)C2=N1 52224 [0,1,0,0,0,0|2,0,0]=3 20 B14R2.8045 CC1=CC(O)=C2C=CC=C(F)C2=N1 61170 [0,1,0,0,0,0|3,0,0]=4 21 B14R2.8045 CC1=NC2=C(C)C=CC=C2C(O)=C1 L10079 [0,1,0,0,0,0|3,0,0]=4 22 B14R2.8045 OC1=NC(O)=C2C=CC=C(Br)C2=N1 26293 [0,1,0,0,0,0|2,0,0]=3 23 B14R2.8188 CN1C(=O)C2=C(C=CC=C2)N=C1S F20539 [0,1,0,0,0,0|2,0,1]=4 24 B14R2.8235 CC1=CC(N)=C2C=C(Cl)C=CC2=N1 52226 [0,1,0,0,0,0|2,0,0]=3 25 B14R2.8235 CC1=CC=C2N=C(C)C=C(O)C2=C1 D74571 [0,1,0,0,0,0|3,0,0]=4 26 B14R2.8235 CC1=NC(O)=C2C=C(Br)C=CC2=N1 S10294 [0,1,0,0,0,0|2,0,0]=3 27 B14R2.8235 CC1=NC(O)=C2C=C(Cl)C=CC2=N1 S10310 [0,1,0,0,0,0|2,0,0]=3 28 B14R2.8235 CC1=NC2=CC=C(F)C=C2C(Cl)=C1 77509 [0,1,0,0,0,0|3,0,0]=4 29 B14R2.8235 OC1=NC(O)=C2C=C(Br)C=CC2=N1 S10301 [0,1,0,0,0,0|2,0,0]=3 30 B14R2.28480 CC1=NC2=CC=CC(F)=C2C(Cl)=C1 L10112 [0,1,0,0,0,0|3,0,0]=4 31 B14R2.29365 CC1=CC(O)=C2C=CC(F)=CC2=N1 L10129 [0,1,0,0,0,0|3,0,0]=4 32 B14R2.29365 CC1=NC2=CC(F)=CC=C2C(Cl)=C1 L10113 [0,1,0,0,0,0|3,0,0]=4 33 B12R2.18 CC1=C(Br)C2=C(C=CC=C2)N1 F11727 [0,0,0,0,1,0|2,0,1]=4 34 B12R2.18 CN1C(Br)=NC2=C1C=CC=C2 78633 [0,0,0,0,1,0|3,0,0]=4 35 B12R2.246 CC1=NC2=C(C=NN2)C(N)=N1 24366 [0,0,0,0,1,0|3,0,0]=4 36 B12R2.246 NC1=C2C=CSC2=NC(S)=N1 C90419 [0,0,0,0,1,0|2,0,0]=3 37 B12R2.246 NC1=NC(N)=C2C=NNC2=N1 C15954 [0,0,0,0,1,0|2,0,0]=3 38 B12R2.246 NC1=NC(N)=C2NC=NC2=N1 D89895 [0,0,0,0,1,0|2,0,0]=3 39 B12R2.246 NC1=NC2=C(C=CN2)C(O)=N1 AB2630 [0,0,0,0,1,0|2,0,0]=3 40 B12R2.2028 NC1=C2C=CN=CC2=C(N)S1 W17610 [0,0,0,0,1,0|2,0,0]=3 41 B11R1.86 N=C(N)NC1=C(F)C=CC=C1 25412 [1,0,1,0,0,0|1,0,1]=4 42 B11R1.86 NC(=O)CC1=C(N)C=CC=C1 D78598 [1,0,1,0,0,0|2,0,0]=4 43 B11R1.91 N=C(N)COC1=CC=CC=C1 29590 [1,0,1,0,0,0|2,0,0]=4 44 B11R2.20 C1=CC=C2N=CC=CC2=C1 D95380 [2,0,0,0,0,0|1,0,0]=3 45 B11R2.20 C1=CC=C2N=CC=CC2=C1 H10805 [2,0,0,0,0,0|1,0,0]=3 46 B13R2.32 NC1=C(I)C2=CC=CC=C2N=N1 97978 [1,1,0,0,0,0|2,0,0]=4 47 B13R2.162 OC1=NC2=C(O)C=CC=C2C=C1 65650 [1,1,0,0,0,0|2,0,0]=4 48 B13R2.369 CC1=CC2=CC=CC=C2N=C1N 71190 [1,1,0,0,0,0|1,0,0]=3 49 B13R2.3683 CC1=CC=C2N=C(Br)C=CC2=C1 33556 [1,1,0,0,0,0|2,0,0]=4 50 B13R2.342 O=C1N=CNC2=C(Br)C=CC=C12 26329 [1,1,0,0,0,0|1,0,1]=4 51 B13R2.342 OC1=C2C=CC=C(Cl)C2=NC=C1 F19997 [1,1,0,0,0,0|2,0,0]=4 52 B13R2.342 OC1=CC=CC2=C(O)C=CN=C12 75991 [1,1,0,0,0,0|2,0,0]=4 53 B13R2.371 NC1=CC=C(O)C2=CC=CC=C12 C15486 [1,1,0,0,0,0|2,0,0]=4 54 B13R2.371 OC1=NC=C(Br)C2=CC=CC=C21 82886 [1,1,0,0,0,0|2,0,0]=4 55 B13R2.1613 CNC1=CC=CC2=CC=CC=C21 D91455 [1,1,0,0,0,0|2,0,0]=4 56 B13R2.4818 NC1=C2C(F)=CC=CC2=NC=N1 D74557 [1,1,0,0,0,0|0,0,0]=2 57 B13R2.4818 O=C1NC=NC2=CC=CC(Cl)=C12 29751 [1,1,0,0,0,0|1,0,1]=4 58 B13R2.4818 OC1=C2C(F)=CC=CC2=NC=N1 I12007 [1,1,0,0,0,0|1,0,0]=3 59 B13R2.135 N#CC1=C(N)SC2=C1C=CC=C2 H10165 [0,1,0,0,1,0|1,0,1]=4 60 B13R2.135 N\N=C1\C(=O)NC2=C1C=CC=C2 W10658 [0,1,0,0,1,0|1,0,1]=4 61 B13R2.4857 CN1N=C(N)C2=C(Cl)C=CC=C21 AT24703 [0,1,0,0,1,0|2,0,0]=4 62 B15R2.21329 NC1=NC2=C(C=C(CO)C=C2)C(=O)N1 F15769 [0,2,0,0,0,0|1,0,1]=4 63 B15R2.59733 CC1=NC(O)=C2C=C(Br)C(Cl)=CC2=N1 53875 [0,2,0,0,0,0|2,0,0]=4 64 B13R2.10 ClC1=NNC(C2=CN=CC=C2)=N1 AT12127 [0,0,1,1,0,0|2,0,0]=4 65 B13R2.10 NC1=NC(C2=CC=CC=C2)=NO1 AT13649 [0,0,1,1,0,0|1,0,1]=4 66 B13R2.10 NC1=NN=C(C2=CC=CC=C2)S1 68123 [0,0,1,1,0,0|1,0,1]=4 67 B13R2.10 NC1=NNC(C2=CC=NC=C2)=C1 F31171 [0,0,1,1,0,0|2,0,0]=4 68 B13R2.10 NC1=NOC(C2=CC=CC=C2)=N1 AT13647 [0,0,1,1,0,0|1,0,0]=3 69 B11R1.36 NC(=O)[C@H](N)C1=CC=CC=C1 A11584 [0,0,1,0,1,0|1,0,1]=4 70 B11R2.1 ClC1=NNC2=C1C=CC=C2 H11368 [1,0,0,0,1,0|2,0,0]=4 71 B11R2.1 ClC1=NSC2=C1C=CC=C2 AT19018 [1,0,0,0,1,0|2,0,0]=4 72 B11R2.36 NC1=NC2=C(C=N1)N=CN2 W13621 [1,0,0,0,1,0|2,0,0]=4 73 B11R2.106 NC1=NC=NC2=NNC=C12 AT24508 [1,0,0,0,1,0|2,0,0]=4 74 B11R2.106 OC1=NC=NC2=C1C=CN2 85253 [1,0,0,0,1,0|2,0,0]=4 75 B11R2.106 OC1=NC=NC2=C1NC=C2 83187 [1,0,0,0,1,0|2,0,0]=4