0 B13R2.57 COC1=CC2=C(C=C1)CNCC2 BB0256687 [0,0,0,0,0,0|1,0,3]=4 1 B13R2.57 NCC1=NC2=CC=CC=C2C=C1 BB0257504 [0,0,0,0,0,0|3,0,0]=3 2 B13R2.57 O=CC1=CC2=C(C=CC=C2)OC1 BB0255285 [0,0,0,0,0,0|3,0,1]=4 3 B13R2.57 O=CC1=CC2=NC=CN=C2C=C1 BB0216343 [0,0,0,0,0,0|4,0,0]=4 4 B13R2.57 O=CC1=NC2=NC=CC=C2C=C1 BB0260494 [0,0,0,0,0,0|4,0,0]=4 5 B12R2.24 BrC1=CC2=CC=NC=C2C=C1 BB0268383 [1,0,0,0,0,0|2,0,0]=3 6 B12R2.24 BrC1=CC2=CN=CC=C2C=C1 BB0261827 [1,0,0,0,0,0|2,0,0]=3 7 B12R2.24 ClC1=NC2=CC=NC=C2C=C1 BB0268330 [1,0,0,0,0,0|3,0,0]=4 8 B12R2.24 IC1=CC2=CC=CC=C2C=C1 BB0220370 [1,0,0,0,0,0|1,0,0]=2 9 B12R2.24 NC1=CC2=CC=CC=C2C=C1 BB0266016 [1,0,0,0,0,0|1,0,0]=2 10 B12R2.24 NC1=CC2=CC=CC=C2N=C1 BB0237444 [1,0,0,0,0,0|2,0,0]=3 11 B12R2.24 OC1=CC2=NC=CC=C2C=C1 BB0270513 [1,0,0,0,0,0|1,0,0]=2 12 B14R2.112 NNCC1=CC2=CC=CC=C2C=C1 BB0219974 [0,1,0,0,0,0|2,0,0]=3 13 B14R2.112 OCCC1=NC2=CC=CC=C2C=C1 BB0268375 [0,1,0,0,0,0|2,0,0]=3 14 B14R2.112 O\N=C\C1=CC2=CC=CC=C2C=C1 BB0273384 [0,1,0,0,0,0|2,0,0]=3 15 B14R2.142 COC1=CC=C2N=CC=C(Cl)C2=C1 BB0270512 [0,1,0,0,0,0|1,0,0]=2 16 B14R2.1019 CC1=CC(NN)=NC2=CC=CC=C12 BB0269906 [0,1,0,0,0,0|3,0,0]=4 17 B14R2.1019 CCC1=NC2=CC=CC=C2C(N)=C1 BB0263799 [0,1,0,0,0,0|2,0,0]=3 18 B14R2.1019 CCC1=NC2=CC=CC=C2C(O)=C1 BB0263773 [0,1,0,0,0,0|2,0,0]=3 19 B14R2.1019 COC1=CC2=CC=CN=C2C(N)=C1 BB0270011 [0,1,0,0,0,0|1,0,0]=2 20 B14R2.1128 O=CC1=CC2=C(C=CC=C2)NC1=O BB0269817 [0,1,0,0,0,0|3,0,0]=4 21 B14R2.1128 O=CC1=CC2=CC=CC=C2N=C1Cl BB0258201 [0,1,0,0,0,0|3,0,0]=4 22 B14R2.2332 COC1=CC2=CN=C(N)N=C2C=C1 BB0268370 [0,1,0,0,0,0|2,0,0]=3 23 B12R1.27 COC(=O)CNC1=CC=CC=C1 BB0221448 [0,0,1,0,0,0|2,0,1]=4 24 B12R1.78 COC1=CC(OC)=C(C=O)C=C1 BB0267782 [0,0,1,0,0,0|2,0,1]=4 25 B12R2.1 N#CC1=CNC2=C1C=CC=C2 BB0242412 [0,0,0,0,1,0|3,0,0]=4 26 B12R2.32 NCC1=CC2=C(C=CC=C2)N1 BB0219997 [0,0,0,0,1,0|3,0,0]=4 27 B12R2.32 NCC1=CC2=C(C=CC=C2)O1 BB0270364 [0,0,0,0,1,0|3,0,0]=4 28 B12R2.32 O=CC1=CC2=C(C=CC=C2)N1 BB0219951 [0,0,0,0,1,0|3,0,0]=4 29 B12R2.32 OCC1=CC2=C(C=CC=C2)N1 BB0265965 [0,0,0,0,1,0|3,0,0]=4 30 B12R2.44 N#CC1=CC2=C(C=C1)NC=C2 BB0266814 [0,0,0,0,1,0|3,0,0]=4 31 B12R2.44 N#CC1=CC2=C(C=CN2)C=C1 BB0266819 [0,0,0,0,1,0|3,0,0]=4 32 B12R2.44 NCC1=CC2=C(C=C1)SC=C2 BB0219932 [0,0,0,0,1,0|3,0,0]=4 33 B12R2.44 NCC1=CC2=C(C=CN2)C=C1 BB0253243 [0,0,0,0,1,0|3,0,0]=4 34 B11R1.91 O=C(O)\C=C\C1=CC=CC=C1 BB0268017 [1,0,1,0,0,0|1,0,0]=3 35 B11R1.83 COC1=CC=C(\C=N\O)C=C1 BB0290875 [1,0,1,0,0,0|2,0,0]=4 36 B13R1.14 CNC(=O)\C=C\C1=CC=C(N)C=C1 BB0293224 [0,1,1,0,0,0|2,0,0]=4 37 B13R1.14 COC(=O)\C=C\C1=CC=C(C)C=C1 BB0221049 [0,1,1,0,0,0|1,0,0]=3 38 B13R1.3 COC1=CC=C(\C=C\C(=O)O)C=C1 BB0267028 [0,1,1,0,0,0|1,0,0]=3 39 B13R2.32 CC1=C(C)C2=CC=CC=C2C=C1 BB0266812 [1,1,0,0,0,0|0,0,0]=2 40 B13R2.32 CC1=CNC2=C(C=CC=C2)C1=O BB0263636 [1,1,0,0,0,0|1,0,0]=3 41 B13R2.32 NC1=C(O)C=CC2=CC=CC=C21 BB0245398 [1,1,0,0,0,0|0,0,0]=2 42 B13R2.32 OC1=C(Br)C2=CC=CC=C2C=C1 BB0276575 [1,1,0,0,0,0|0,0,0]=2 43 B13R2.155 CC1=NC=C2C=CC(Cl)=CC2=C1 BB0268290 [1,1,0,0,0,0|1,0,0]=3 44 B13R2.155 CC1=NC=C2C=CC(F)=CC2=C1 BB0268289 [1,1,0,0,0,0|1,0,0]=3 45 B13R2.155 NC1=CC=C2C=CC(O)=CC2=C1 BB0254440 [1,1,0,0,0,0|0,0,0]=2 46 B13R2.155 NC1=CC=C2N=CC(Cl)=CC2=C1 BB0268060 [1,1,0,0,0,0|2,0,0]=4 47 B13R2.162 CC1=C2C=C(Br)C=CC2=NC=C1 BB0270596 [1,1,0,0,0,0|2,0,0]=4 48 B13R2.162 CC1=NC2=C(N)C=CC=C2C=C1 BB0221198 [1,1,0,0,0,0|1,0,0]=3 49 B13R2.162 NC1=C2C=C(Cl)C=CC2=NC=C1 BB0218956 [1,1,0,0,0,0|2,0,0]=4 50 B13R2.162 NC1=C2C=C(F)C=CC2=NC=C1 BB0218957 [1,1,0,0,0,0|2,0,0]=4 51 B13R2.162 NC1=CC2=C(C=C1)OC=CC2=O BB0270214 [1,1,0,0,0,0|2,0,0]=4 52 B13R2.162 OC1=C2C=C(Br)C=CC2=NC=C1 BB0241165 [1,1,0,0,0,0|2,0,0]=4 53 B13R2.162 OC1=C2C=C(Cl)C=CC2=NC=C1 BB0221885 [1,1,0,0,0,0|2,0,0]=4 54 B13R2.162 OC1=C2C=C(F)C=CC2=CC=N1 BB0267152 [1,1,0,0,0,0|2,0,0]=4 55 B13R2.162 OC1=C2C=C(F)C=CC2=NC=C1 BB0221886 [1,1,0,0,0,0|2,0,0]=4 56 B13R2.222 CC1(C)C=CC2=C(C=CC=C2)O1 BB0263281 [1,1,0,0,0,0|1,0,1]=4 57 B13R2.328 CC1=CC2=CC=CC=C2C(C)=C1 BB0265999 [1,1,0,0,0,0|0,0,0]=2 58 B13R2.328 CC1=NC(=O)C2=C(C=CC=C2)N1 BB0284380 [1,1,0,0,0,0|2,0,0]=4 59 B13R2.328 CC1=NC2=C(C=CC=C2)C(=O)N1 BB0242142 [1,1,0,0,0,0|2,0,0]=4 60 B13R2.328 CC1=NC2=CC=CC=C2C(O)=N1 BB0286884 [1,1,0,0,0,0|2,0,0]=4 61 B13R2.369 CC1=CC2=NC=CC=C2N=C1Br BB0270129 [1,1,0,0,0,0|2,0,0]=4 62 B13R2.369 CC1=CC2=NC=CC=C2N=C1Cl BB0270128 [1,1,0,0,0,0|2,0,0]=4 63 B13R2.369 CC1=CC2=NC=CC=C2N=C1N BB0270120 [1,1,0,0,0,0|2,0,0]=4 64 B13R2.369 CC1=CC2=NC=CC=C2N=C1O BB0270121 [1,1,0,0,0,0|2,0,0]=4 65 B13R2.369 NC1=CC2=C(C=CC=C2)OC1=O BB0270289 [1,1,0,0,0,0|1,0,1]=4 66 B13R2.3683 CC1=CC=C2C=C(C)C=CC2=C1 BB0266813 [1,1,0,0,0,0|0,0,0]=2 67 B13R2.3683 CC1=CC=C2N=C(Cl)C=CC2=C1 BB0255232 [1,1,0,0,0,0|1,0,0]=3 68 B13R2.3683 NC1=CC2=C(C=C1)OC(=O)C=C2 BB0245754 [1,1,0,0,0,0|1,0,1]=4 69 B13R2.3683 NC1=CC=C2C=C(Br)C=CC2=C1 BB0269834 [1,1,0,0,0,0|1,0,0]=3 70 B13R2.3683 OC1=CC=C2C=C(Br)C=CC2=C1 BB0220620 [1,1,0,0,0,0|0,0,0]=2 71 B13R2.5179 CC1=CC=C2C(C)=CC=CC2=C1 BB0266002 [1,1,0,0,0,0|0,0,0]=2 72 B13R2.5179 CC1=NC2=CC=CC(N)=C2C=C1 BB0245975 [1,1,0,0,0,0|1,0,0]=3 73 B13R2.5179 NC1=NC2=CC=CC(N)=C2C=C1 BB0262968 [1,1,0,0,0,0|2,0,0]=4 74 B13R2.1 NCCC1=CNC2=C1C=CC=C2 BB0267758 [0,1,0,0,1,0|2,0,0]=4 75 B13R2.1 NCCN1C=CC2=C1C=CC=C2 BB0269973 [0,1,0,0,1,0|2,0,0]=4 76 B13R2.26 CNCC1=CC2=C(C=CC=C2)S1 BB0279517 [0,1,0,0,1,0|2,0,0]=4 77 B13R2.26 COCC1=NC2=C(C=CC=C2)N1 BB0219596 [0,1,0,0,1,0|2,0,0]=4 78 B13R2.669 COC1=CC2=C(C=C1)CCC2=O BB0268499 [0,1,0,0,1,0|0,0,2]=4 79 B13R2.2121 COC1=CC2=C(C=C1)N=C(Cl)S2 BB0270029 [0,1,0,0,1,0|2,0,0]=4 80 B13R2.2121 COC1=CC2=C(C=C1)N=C(N)S2 BB0245858 [0,1,0,0,1,0|2,0,0]=4 81 B13R2.2121 COC1=CC2=C(C=C1)SC(Cl)=N2 BB0270094 [0,1,0,0,1,0|2,0,0]=4 82 B13R2.2130 COC1=CC2=C(C=C1)C(=O)C=C2 BB0268498 [0,1,0,0,1,0|0,0,0]=2 83 B13R2.2130 COC1=CC2=C(C=C1)C(=O)CC2 BB0268497 [0,1,0,0,1,0|0,0,2]=4 84 B15R2.1237 O=C(O)C1=CC2=C(C=CC=C2)OC=C1 BB0270568 [0,1,0,0,0,1|2,0,0]=4 85 B15R2.274 CCC1=C(N)C2=CC=CC=C2N=C1C BB0263807 [0,2,0,0,0,0|2,0,0]=4 86 B15R2.274 CCC1=C(O)C2=CC=CC=C2N=C1C BB0263801 [0,2,0,0,0,0|2,0,0]=4 87 B15R2.2115 COC1=C(C=O)C2=CC=CC=C2C=C1 BB0243289 [0,2,0,0,0,0|0,0,0]=2 88 B15R2.2220 N#CSC1=C(N)C2=CC=CC=C2C=C1 BB0266921 [0,2,0,0,0,0|0,1,1]=4 89 B15R2.886 CCCC1=NC2=CC=CC=C2C(O)=C1 BB0263775 [0,2,0,0,0,0|2,0,0]=4 90 B15R2.1601 CN[C@@H](C)C1=CC2=CC=CC=C2C=C1 BB0293274 [0,2,0,0,0,0|1,0,0]=3 91 B15R2.1601 C\C(=N/O)C1=CC2=CC=CC=C2C=C1 BB0277124 [0,2,0,0,0,0|1,0,0]=3 92 B15R2.4776 COC1=CC2=C(C=C1)OCC(C=O)=C2 BB0270238 [0,2,0,0,0,0|1,0,1]=4 93 B13R2.10 CC1=CC(C2=CC=CC=C2)=NO1 BB0263030 [0,0,1,1,0,0|1,0,1]=4 94 B13R2.342 C[N+]1=CC=CC2=C(N)C=CC=C21 BB0267021 [0,0,1,1,0,0|2,0,0]=4 95 B11R1.222 COC(=O)C1=C(F)C=CC=C1 BB0269491 [0,0,1,0,1,0|2,0,0]=4 96 B11R1.222 COC(=O)C1=C(I)C=CC=C1 BB0268030 [0,0,1,0,1,0|2,0,0]=4 97 B11R2.10 CC1=CC2=C(C=CC=C2)S1 BB0270588 [1,0,0,0,1,0|1,0,0]=3 98 B11R2.10 CC1=NC2=C(C=CC=C2)N1 BB0240414 [1,0,0,0,1,0|2,0,0]=4 99 B11R2.36 CC1=CC2=C(C=C1)N=CN2 BB0266899 [1,0,0,0,1,0|2,0,0]=4 100 B11R2.36 CC1=CC2=C(C=C1)NC=N2 BB0219447 [1,0,0,0,1,0|2,0,0]=4