0 B13R2.10 CC1=COC(C2=CC=CC=C2)=N1 OR110144 [0,0,0,0,0,0|3,0,1]=4 1 B13R2.10 CC1=NC(C2=CC=CC=C2)=NO1 OR01541 [0,0,0,0,0,0|2,0,1]=3 2 B13R2.10 CC1=NC(C2=CC=NC=C2)=NO1 OR01543 [0,0,0,0,0,0|3,0,1]=4 3 B13R2.10 IC1=NN(C2=CC=CC=C2)C=C1 OR310101 [0,0,0,0,0,0|3,0,1]=4 4 B13R2.10 NC1=CC(C2=CC=CC=C2)=NN1 OR3021 [0,0,0,0,0,0|3,0,1]=4 5 B13R2.10 NC1=CC(C2=CC=CC=C2)=NO1 OR15239 [0,0,0,0,0,0|2,0,1]=3 6 B13R2.10 NC1=NC(C2=CC=CC=C2)=NN1 OR307244 [0,0,0,0,0,0|2,0,1]=3 7 B13R2.10 NC1=NC(C2=CC=CC=C2)=NS1 OR14852 [0,0,0,0,0,0|1,1,1]=3 8 B13R2.10 NC1=NC(C2=CC=NC=C2)=CS1 OR2532 [0,0,0,0,0,0|1,1,2]=4 9 B13R2.10 NC1=NC(C2=CC=NC=C2)=NS1 OR14853 [0,0,0,0,0,0|2,1,1]=4 10 B13R2.10 NC1=NC(C2=CN=CC=C2)=CS1 OR1300 [0,0,0,0,0,0|1,1,2]=4 11 B13R2.10 NC1=NC(C2=CN=CC=C2)=NS1 OR303744 [0,0,0,0,0,0|2,1,1]=4 12 B13R2.10 NC1=NN=C(C2=CC=CC=C2)O1 OR6135 [0,0,0,0,0,0|3,0,1]=4 13 B13R2.10 NC1=NN=C(C2=CC=CC=C2)S1 OR13738 [0,0,0,0,0,0|3,0,1]=4 14 B13R2.10 NC1=NNC(C2=CC=CC=C2)=C1 OR4440 [0,0,0,0,0,0|3,0,1]=4 15 B13R2.10 NC1=NOC(C2=CN=CC=C2)=N1 OR18583 [0,0,0,0,0,0|3,0,1]=4 16 B13R2.10 O=C1CC(C2=CC=CC=C2)=NO1 OR27082 [0,0,0,0,0,0|3,0,1]=4 17 B13R2.10 O=C1CC(C2=CC=CC=C2)CN1 OR41147 [0,0,0,0,0,0|3,0,0]=3 18 B13R2.10 O=C1N[C@@H](C2=CC=CC=C2)CO1 OR8745 [0,0,0,0,0,0|1,0,1]=2 19 B13R2.10 O=C1N[C@H](C2=CC=CC=C2)CO1 OR8746 [0,0,0,0,0,0|1,0,1]=2 20 B13R2.10 OC1=CSC(C2=CC=CC=C2)=N1 OR15120 [0,0,0,0,0,0|3,0,1]=4 21 B13R2.10 OC1=NN(C2=CC=CC=C2)C=N1 OR14295 [0,0,0,0,0,0|3,0,1]=4 22 B13R2.10 S=C1N[C@@H](C2=CC=CC=C2)CO1 OR14525 [0,0,0,0,0,0|1,0,1]=2 23 B13R2.10 S=C1N[C@@H](C2=CC=CC=C2)CS1 OR14519 [0,0,0,0,0,0|1,1,1]=3 24 B13R2.10 S=C1N[C@H](C2=CC=CC=C2)CO1 OR14526 [0,0,0,0,0,0|1,0,1]=2 25 B13R2.10 S=C1N[C@H](C2=CC=CC=C2)CS1 OR14520 [0,0,0,0,0,0|1,1,1]=3 26 B12R2.2 C1=CC=C(C2=CNC=N2)C=C1 OR29380 [1,0,0,0,0,0|1,0,2]=4 27 B12R2.2 C1=CC=C(C2=NC=CN2)C=C1 OR2902 [1,0,0,0,0,0|2,0,1]=4 28 B12R2.2 C1=CC=C(C2CCCN2)C=C1 OR12503 [1,0,0,0,0,0|1,0,2]=4 29 B12R2.2 C1=CC=C(C2CCNC2)C=C1 OR12549 [1,0,0,0,0,0|2,0,1]=4 30 B12R2.2 C1=CC=C(C2CCNC2)C=C1 OR16975 [1,0,0,0,0,0|2,0,1]=4 31 B12R2.2 C1=CC=C([C@H]2CCCN2)C=C1 OR321342 [1,0,0,0,0,0|1,0,2]=4 32 B14R2.8 ClCC1=NC(C2=CC=CC=C2)=NO1 OR27224 [0,1,0,0,0,0|2,0,1]=4 33 B14R2.8 NCC1=CC(C2=CC=CC=C2)=NO1 OR15367 [0,1,0,0,0,0|2,0,1]=4 34 B14R2.8 NCC1=CSC(C2=CC=CC=C2)=N1 OR23286 [0,1,0,0,0,0|2,0,1]=4 35 B14R2.8 NCC1=NC(C2=CC=CC=C2)=NO1 OR16557 [0,1,0,0,0,0|1,0,1]=3 36 B14R2.20 CC1=CC=C(C2=NSC(N)=N2)C=C1 OR14842 [0,1,0,0,0,0|1,1,1]=4 37 B14R2.20 CC1=NC(C2=CC=C(Br)C=C2)=NO1 OR0783 [0,1,0,0,0,0|2,0,1]=4 38 B14R2.20 CC1=NC(C2=CC=C(N)C=C2)=NO1 OR9660 [0,1,0,0,0,0|2,0,1]=4 39 B14R2.20 NC1=CC(C2=CC=C(Br)C=C2)=NO1 OR15271 [0,1,0,0,0,0|2,0,1]=4 40 B14R2.20 NC1=CC(C2=CC=C(Cl)C=C2)=NO1 OR15282 [0,1,0,0,0,0|2,0,1]=4 41 B14R2.20 NC1=NC(C2=CC=C(Br)C=C2)=CS1 OR5603 [0,1,0,0,0,0|0,1,2]=4 42 B14R2.20 NC1=NC(C2=CC=C(Cl)C=C2)=CS1 OR5604 [0,1,0,0,0,0|0,1,2]=4 43 B14R2.20 NC1=NC(C2=CC=C(Cl)C=C2)=NS1 OR14818 [0,1,0,0,0,0|1,1,1]=4 44 B14R2.20 NC1=NCC(C2=CC=C(Br)C=C2)O1 OR40549 [0,1,0,0,0,0|2,0,0]=3 45 B14R2.22 CC1=CC(C2=NOC(N)=C2)=CC=C1 OR345144 [0,1,0,0,0,0|2,0,1]=4 46 B14R2.22 CC1=NC(C2=CC(Br)=CC=C2)=NO1 OR9178 [0,1,0,0,0,0|2,0,1]=4 47 B14R2.22 NC1=CC(C2=CC(Br)=CC=C2)=NO1 OR15142 [0,1,0,0,0,0|2,0,1]=4 48 B14R2.22 NC1=CC(C2=CC(Cl)=CC=C2)=NO1 OR15155 [0,1,0,0,0,0|2,0,1]=4 49 B14R2.22 NC1=CC=CC(C2CNC(=O)C2)=C1 OR40612 [0,1,0,0,0,0|3,0,0]=4 50 B14R2.256 NC1=NC(C2=C(Cl)C=CC=C2)=CS1 OR30955 [0,1,0,0,0,0|0,1,2]=4 51 B14R2.598 CC1=C(C2=CC=CC=C2)N=C(N)S1 OR6123 [0,1,0,0,0,0|0,1,2]=4 52 B14R2.598 C[C@@H]1NC(=O)O[C@@H]1C2=CC=CC=C2 OR10970 [0,1,0,0,0,0|3,0,0]=4 53 B14R2.598 NC1=NN(C2=CC=CC=C2)C(=O)C1 OR28715 [0,1,0,0,0,0|2,0,1]=4 54 B14R2.598 NC1=NN(C2=CC=CC=C2)C(=S)N1 OR13429 [0,1,0,0,0,0|2,0,1]=4 55 B12R1.27 COC(=O)CCC1=CC=CC=C1 OR30978 [0,0,1,0,0,0|2,0,0]=3 56 B12R1.107 C\C(=C/C(=O)O)C1=CC=CC=C1 OR29067 [0,0,1,0,0,0|2,0,1]=4 57 B12R1.107 NC(CC(=O)O)C1=CC=CC=C1 OR13352 [0,0,1,0,0,0|3,0,0]=4 58 B12R1.252 O=C(O)CCCC1=CC=CC=C1 OR2390 [0,0,1,0,0,0|3,0,0]=4 59 B12R2.22 O=C1CC(C2=CC=CC=C2)C1 OR7098 [0,0,0,0,1,0|2,0,0]=3 60 B14R2.19 O=C1N[C@@H](CC2=CC=CC=C2)CO1 OR8747 [0,0,0,0,0,1|1,0,1]=3 61 B14R2.19 O=C1N[C@H](CC2=CC=CC=C2)CO1 OR8727 [0,0,0,0,0,1|1,0,1]=3 62 B14R2.19 S=C1N[C@@H](CC2=CC=CC=C2)CS1 OR14521 [0,0,0,0,0,1|1,1,1]=4 63 B14R2.19 S=C1N[C@H](CC2=CC=CC=C2)CO1 OR14528 [0,0,0,0,0,1|1,0,1]=3 64 B14R2.19 S=C1N[C@H](CC2=CC=CC=C2)CS1 OR14522 [0,0,0,0,0,1|1,1,1]=4 65 B14R2.21 NC1=NC=CC(C2=CC=CC=C2)=N1 OR7650 [0,0,0,0,0,1|1,0,2]=4 66 B14R2.68 NC1=CC=C(C2=CC=CC=C2)N=C1 OR14233 [0,0,0,0,0,1|1,0,2]=4 67 B14R2.68 NC1=CC=C(C2=CC=CC=C2)N=N1 OR14968 [0,0,0,0,0,1|1,0,2]=4 68 B14R2.68 NC1=NC=C(C2=CC=CC=C2)N=C1 OR61038 [0,0,0,0,0,1|1,0,2]=4 69 B14R2.68 O=C1CCC(C2=CC=CC=C2)CC1 OR5040 [0,0,0,0,0,1|3,0,0]=4 70 B11R1.12 OCC(CO)C1=CC=CC=C1 OR52224 [1,0,1,0,0,0|1,0,1]=4 71 B11R1.16 CC(N=C=S)C1=CC=CC=C1 OR28863 [1,0,1,0,0,0|0,1,1]=4 72 B11R1.16 COC[C@H](N)C1=CC=CC=C1 OR316004 [1,0,1,0,0,0|0,0,2]=4 73 B11R1.28 NCCCCC1=CC=CC=C1 OR5084 [1,0,1,0,0,0|1,0,1]=4 74 B11R1.91 CC(N)CCC1=CC=CC=C1 OR5082 [1,0,1,0,0,0|1,0,1]=4 75 B11R1.91 NC(=O)OCC1=CC=CC=C1 OR40596 [1,0,1,0,0,0|1,0,1]=4 76 B11R1.91 NC(=S)NCC1=CC=CC=C1 OR4845 [1,0,1,0,0,0|0,1,1]=4 77 B11R1.91 NC(N)=NCC1=CC=CC=C1 OR61212 [1,0,1,0,0,0|1,0,0]=3 78 B11R1.91 O=C(O)CCC1=CC=CC=C1 OR10046 [1,0,1,0,0,0|2,0,0]=4 79 B13R1.42 CCOC(=O)CCC1=CC=CC=C1 OR17914 [0,1,1,0,0,0|2,0,0]=4 80 B13R1.135 COC(=O)C(Cl)CC1=CC=CC=C1 OR471312 [0,1,1,0,0,0|2,0,0]=4 81 B13R1.347 CC(C)(CC(=O)O)C1=CC=CC=C1 OR30977 [0,1,1,0,0,0|2,0,0]=4 82 B13R2.12 BrC1=CC=C(C2=NOC=N2)C=C1 OR5964 [1,1,0,0,0,0|1,0,1]=4 83 B13R2.147 O=C1CC(C2=CC=C(Br)C=C2)C1 OR7045 [0,1,0,0,1,0|2,0,0]=4 84 B13R2.147 O=C1CC(C2=CC=C(Cl)C=C2)C1 OR7047 [0,1,0,0,1,0|2,0,0]=4 85 B15R2.297 O=C1CC(C(=O)C2=CC=CC=C2)CO1 OR12021 [0,1,0,0,0,1|2,0,0]=4 86 B15R2.327 CC1(C)OC(=O)N[C@@H]1C2=CC=CC=C2 OR40633 [0,2,0,0,0,0|1,0,1]=4 87 B13R2.1613 OCC1=NC=CC2=CC=CC=C21 OR23079 [0,0,1,1,0,0|1,0,1]=4 88 B13R2.423 O=C(O)C1CC1C2=CC=CC=C2 OR7099 [0,0,1,1,0,0|2,0,0]=4 89 B13R2.423 O=C(O)[C@@H]1C[C@H]1C2=CC=CC=C2 OR59934 [0,0,1,1,0,0|2,0,0]=4 90 B11R1.40 CNC(=O)CC1=CC=CC=C1 OR16469 [0,0,1,0,1,0|2,0,0]=4 91 B11R1.36 CC(C(=O)O)C1=CC=CC=C1 OR2976 [0,0,1,0,1,0|1,0,0]=3 92 B11R1.36 CN(C(N)=S)C1=CC=CC=C1 OR9376 [0,0,1,0,1,0|1,1,0]=4 93 B11R1.36 NC(=O)[C@@H](N)C1=CC=CC=C1 OR316044 [0,0,1,0,1,0|1,0,1]=4 94 B11R1.36 NC(=O)[C@H](N)C1=CC=CC=C1 OR316055 [0,0,1,0,1,0|1,0,1]=4 95 B11R1.36 N[C@H](C(=O)O)C1=CC=CC=C1 OR19581 [0,0,1,0,1,0|2,0,0]=4 96 B11R1.36 O=C(O)C(Br)C1=CC=CC=C1 OR350067 [0,0,1,0,1,0|2,0,0]=4 97 B11R1.36 O=C(O)[C@@H](O)C1=CC=CC=C1 OR5460 [0,0,1,0,1,0|2,0,0]=4 98 B11R1.36 O=C(O)[C@H](O)C1=CC=CC=C1 OR18332 [0,0,1,0,1,0|2,0,0]=4 99 B11R2.4 NC1CC1C2=CC=CC=C2 OR944624 [0,0,0,0,2,0|0,0,1]=3 100 B11R2.4 N[C@H]1C[C@@H]1C2=CC=CC=C2 OR16696 [0,0,0,0,2,0|0,0,1]=3 101 B11R2.4 N[C@H]1C[C@@H]1C2=CC=CC=C2 OR310537 [0,0,0,0,2,0|0,0,1]=3 102 B11R2.4 N[C@H]1C[C@@H]1C2=CC=CC=C2 OR53161 [0,0,0,0,2,0|0,0,1]=3