0 B14R2.101 C1=CC=C(CCN2C=CN=C2)C=C1 F13151 [0,0,0,0,0,0|2,0,1]=3 1 B14R2.101 C1=CC=C(CSC2=NNN=N2)C=C1 D88976 [0,0,0,0,0,0|3,0,0]=3 2 B15R2.100 CC1=CC=C(NCC2=CC=CS2)C=C1 D95123 [0,1,0,0,0,0|3,0,0]=4 3 B15R2.100 ClC1=CC=C(NCC2=CC=CO2)C=C1 D95129 [0,1,0,0,0,0|3,0,0]=4 4 B15R2.283 CN1C=CC(NCC2=CC=CC=C2)=N1 W18582 [0,1,0,0,0,0|3,0,0]=4 5 B15R2.283 IC1=CN(OCC2=CC=CC=C2)N=C1 D82723 [0,1,0,0,0,0|3,0,0]=4 6 B13R2.64 C1=CC=C(CC2=NCCN2)C=C1 FD7203 [0,0,0,0,1,0|2,0,1]=4 7 B13R2.64 C1=CC=C(CN2C=CC=C2)C=C1 20631 [0,0,0,0,1,0|3,0,0]=4 8 B13R2.64 C1=CC=C(CN2C=CC=N2)C=C1 33553 [0,0,0,0,1,0|2,0,0]=3 9 B13R2.64 C1=CC=C(CN2C=CN=C2)C=C1 71005 [0,0,0,0,1,0|2,0,1]=4 10 B13R2.64 C1=CC=C(CN2C=CN=N2)C=C1 D83989 [0,0,0,0,1,0|3,0,0]=4 11 B15R2.2195 C1=CC(CCC2=CC=NC=C2)=CC=N1 77839 [0,0,0,0,0,1|2,0,1]=4 12 B15R2.2195 C1=CC=C(CCC2=CC=CC=C2)C=C1 AC7926 [0,0,0,0,0,1|2,0,0]=3 13 B15R2.2195 C1=CC=C(CNC2=NC=CC=C2)C=C1 D86502 [0,0,0,0,0,1|2,0,0]=3 14 B15R2.2195 C1=CC=C(COC2=CC=CC=C2)C=C1 D94730 [0,0,0,0,0,1|3,0,0]=4 15 B15R2.2195 C1=CC=C(COC2=CC=NC=C2)C=C1 29763 [0,0,0,0,0,1|2,0,1]=4 16 B15R2.2195 C1=CC=C(CSC2=CC=CC=C2)C=C1 D88607 [0,0,0,0,0,1|3,0,0]=4 17 B15R2.2195 C1=CC=C(CSC2=CC=NC=C2)C=C1 AC6272 [0,0,0,0,0,1|2,0,1]=4 18 B12R1.27 C=CC(=O)NCC1=CC=CC=C1 87488 [1,0,1,0,0,0|2,0,0]=4 19 B12R1.27 C=CC(=O)OCC1=CC=CC=C1 AB6137 [1,0,1,0,0,0|2,0,0]=4 20 B12R1.27 NNC(=O)CCC1=CC=CC=C1 W15768 [1,0,1,0,0,0|1,0,1]=4 21 B14R2.19 BrC1=CN(CC2=CC=CC=C2)N=C1 53992 [0,1,0,0,1,0|2,0,0]=4 22 B14R2.19 IC1=CN(CC2=CC=CC=C2)N=C1 W12592 [0,1,0,0,1,0|2,0,0]=4 23 B14R2.19 NC1=CN(CC2=CC=CC=C2)N=C1 F30664 [0,1,0,0,1,0|2,0,0]=4 24 B14R2.19 NC1=CN(CC2=CC=CC=C2)N=C1 H11617 [0,1,0,0,1,0|2,0,0]=4 25 B14R2.19 NC1=NC=C(CC2=CC=CC=C2)S1 D97742 [0,1,0,0,1,0|1,0,1]=4 26 B14R2.19 NC1=NNC(CC2=CC=CC=C2)=N1 73819 [0,1,0,0,1,0|1,0,1]=4 27 B14R2.19 S=C1N=C(CC2=CC=CC=C2)CS1 56386 [0,1,0,0,1,0|1,0,1]=4 28 B14R2.72 BrC1=CC=C(CC2=NNN=N2)C=C1 87073 [0,1,0,0,1,0|2,0,0]=4 29 B14R2.72 BrC1=CC=C(CN2C=NC=N2)C=C1 72097 [0,1,0,0,1,0|1,0,1]=4 30 B14R2.72 NC1=CC=C(CN2C=CC=N2)C=C1 C77898 [0,1,0,0,1,0|2,0,0]=4 31 B14R2.72 NC1=CC=C(CN2C=NC=N2)C=C1 40106 [0,1,0,0,1,0|1,0,1]=4 32 B14R2.114 O=C(C1=CC=CC=C1)C2=CNC=C2 D84176 [0,1,0,0,1,0|1,0,1]=4 33 B16R2.71 BrC1=C(OCC2=CC=CC=C2)N=CC=C1 76916 [0,1,0,0,0,1|2,0,0]=4 34 B16R2.71 BrC1=NC=CC=C1OCC2=CC=CC=C2 96883 [0,1,0,0,0,1|2,0,0]=4 35 B16R2.71 NC1=C(NCC2=CC=CC=C2)C=NC=C1 RB1067 [0,1,0,0,0,1|2,0,0]=4 36 B16R2.71 NC1=C(OCC2=CC=CC=C2)C=CC=N1 51890 [0,1,0,0,0,1|2,0,0]=4 37 B16R2.71 NC1=NC=CN=C1OCC2=CC=CC=C2 25328 [0,1,0,0,0,1|1,0,1]=4 38 B16R2.88 O[C@@H](CC1=NC=CN=C1)C2=CC=CC=C2 D94962 [0,1,0,0,0,1|0,0,1]=3 39 B16R2.88 [NH3+][C@@H](CC1=CC=CC=C1)C2=CC=CC=C2 D89794 [0,1,0,0,0,1|2,0,0]=4 40 B16R2.132 BrC1=CN=C(OCC2=CC=CC=C2)C=C1 77561 [0,1,0,0,0,1|2,0,0]=4 41 B16R2.132 ClC1=NC=C(OCC2=CC=CC=C2)C=C1 W12725 [0,1,0,0,0,1|2,0,0]=4 42 B16R2.132 ClC1=NC=C(OCC2=CC=CC=C2)C=N1 29548 [0,1,0,0,0,1|1,0,1]=4 43 B16R2.132 ClC1=NN=C(OCC2=CC=CC=C2)C=C1 83489 [0,1,0,0,0,1|2,0,0]=4 44 B16R2.132 FC1=NC=C(OCC2=CC=CC=C2)C=C1 W12724 [0,1,0,0,0,1|2,0,0]=4 45 B16R2.132 NC1=CC=C(CCC2=CC=CC=C2)C=C1 C76287 [0,1,0,0,0,1|2,0,0]=4 46 B16R2.132 OC1=CN=C(OCC2=CC=CC=C2)C=C1 AC2107 [0,1,0,0,0,1|2,0,0]=4 47 B16R2.252 BrC1=CC(OCC2=CC=CC=C2)=NC=C1 F11376 [0,1,0,0,0,1|2,0,0]=4 48 B16R2.252 BrC1=CN=CC(OCC2=CC=CC=C2)=C1 52562 [0,1,0,0,0,1|2,0,0]=4 49 B16R2.252 BrC1=NC(OCC2=CC=CC=C2)=CC=C1 83858 [0,1,0,0,0,1|2,0,0]=4 50 B16R2.252 ClC1=NC(NCC2=CC=CC=C2)=CN=C1 F15593 [0,1,0,0,0,1|1,0,1]=4 51 B16R2.252 ClC1=NC(OCC2=CC=CC=C2)=CN=C1 25322 [0,1,0,0,0,1|1,0,1]=4 52 B16R2.252 ClC1=NC=NC(NCC2=CC=CC=C2)=C1 O12020 [0,1,0,0,0,1|1,0,1]=4 53 B16R2.252 NC1=CC(OCC2=CC=CC=C2)=CN=C1 AC2009 [0,1,0,0,0,1|2,0,0]=4 54 B16R2.252 NC1=CC=CC(OCC2=CC=CC=C2)=N1 D83063 [0,1,0,0,0,1|2,0,0]=4 55 B16R2.252 NC1=CC=NC(OCC2=CC=CC=C2)=N1 26727 [0,1,0,0,0,1|2,0,0]=4 56 B16R2.252 O=C1C=C(OCC2=CC=CC=C2)C=CN1 23318 [0,1,0,0,0,1|2,0,0]=4 57 B14R2.6 C1=CC=C(CC2=CC=CN=C2)C=C1 F13538 [0,0,1,1,0,0|1,0,1]=4 58 B14R2.6 C1=CC=C(CC2=NC=CC=C2)C=C1 F19573 [0,0,1,1,0,0|1,0,1]=4 59 B16R3.9 C1=CC2=C(C=C1)C3=C(C=CC=C3)CC2 D89679 [0,0,0,1,0,1|2,0,0]=4 60 B12R2.2 C1=CC=C(C2=CC=CS2)C=C1 65572 [0,0,0,0,2,0|2,0,0]=4 61 B12R2.2 C1=CC=C(C2=CN=CO2)C=C1 BL004766 [0,0,0,0,2,0|1,0,1]=4 62 B12R2.2 C1=CC=C(C2=CNC=N2)C=C1 78068 [0,0,0,0,2,0|0,0,0]=2 63 B12R2.2 C1=CC=C(C2=CNN=N2)C=C1 53758 [0,0,0,0,2,0|1,0,0]=3 64 B12R2.2 C1=CC=C(C2=NC=CN2)C=C1 F11700 [0,0,0,0,2,0|2,0,0]=4 65 B12R2.2 C1=CC=C(C2=NC=CS2)C=C1 70924 [0,0,0,0,2,0|2,0,0]=4 66 B12R2.2 C1=CC=C(C2=NNC=C2)C=C1 CL3440 [0,0,0,0,2,0|2,0,0]=4 67 B12R2.2 C1=CC=C(N2C=CC=N2)C=C1 39296 [0,0,0,0,2,0|2,0,0]=4 68 B12R2.2 C1=CC=C(N2C=NC=N2)C=C1 Y10504 [0,0,0,0,2,0|1,0,1]=4 69 B12R2.2 C1=CN=C(C2=NNC=N2)C=C1 22951 [0,0,0,0,2,0|2,0,0]=4 70 B16R2.2256 C1=CC=C(CCCC2=CC=CC=C2)C=C1 H11752 [0,0,0,0,0,2|2,0,0]=4 71 B16R2.2256 C1=CC=C(CCCC2=NC=CC=C2)C=C1 D92110 [0,0,0,0,0,2|1,0,0]=3 72 B16R2.2256 C1=CC=C(CCOC2=CC=CC=C2)C=C1 24432 [0,0,0,0,0,2|2,0,0]=4 73 B16R2.2256 C1=CC=C(CNCC2=CC=CC=C2)C=C1 D77870 [0,0,0,0,0,2|2,0,0]=4 74 B16R2.2256 C1=CC=C(CNCC2=CC=CN=C2)C=C1 77370 [0,0,0,0,0,2|1,0,0]=3 75 B16R2.2256 C1=CC=C(CSCC2=CC=CC=C2)C=C1 D88649 [0,0,0,0,0,2|2,0,0]=4 76 B16R2.2256 C1=CN=C(CNCC2=NC=CC=C2)C=C1 53208 [0,0,0,0,0,2|2,0,0]=4