0 B11R1.167 CC1=CC=C(N)C=C1C(C)C 4022447 [0,0,0,0,0,0|3,0,1]=4 1 B11R1.167 CC1=CC=C(N)C=C1C(C)C 4088194 [0,0,0,0,0,0|3,0,1]=4 2 B11R1.167 CC1=NC(C(=O)O)=C(Cl)C=N1 4019250 [0,0,0,0,0,0|4,0,0]=4 3 B11R1.167 NC(=O)C1=C(Br)C=CC(N)=C1 4089536 [0,0,0,0,0,0|3,0,0]=3 4 B10R1.30 CCC1=C(N)C=CC(I)=C1 4091033 [1,0,0,0,0,0|2,0,1]=4 5 B10R1.30 CCC1=CC(Cl)=CC=C1N 4091185 [1,0,0,0,0,0|2,0,1]=4 6 B10R1.61 CC(=O)C1=CC=CN=C1Cl 4031453 [1,0,0,0,0,0|2,0,0]=3 7 B10R1.61 CC(N)C1=C(Cl)C=CC=C1 4090561 [1,0,0,0,0,0|2,0,1]=4 8 B10R1.61 CC(N)C1=C(O)C=CC=C1 4088363 [1,0,0,0,0,0|1,0,1]=3 9 B10R1.113 CC(N)C1=CC(Cl)=CC=C1 3002152 [1,0,0,0,0,0|2,0,1]=4 10 B10R1.113 CC(N)C1=CC=CC(Br)=C1 4045598 [1,0,0,0,0,0|2,0,1]=4 11 B10R1.113 CC1=CC(C(C)N)=NC=C1 4088633 [1,0,0,0,0,0|2,0,1]=4 12 B10R1.113 CC1=CC=CC(C(C)N)=C1 3001756 [1,0,0,0,0,0|1,0,1]=3 13 B10R1.113 CC1=CC=CC([C@@H](C)N)=C1 4095694 [1,0,0,0,0,0|1,0,1]=3 14 B10R1.113 CC1=CC=CC([C@H](C)N)=C1 4099223 [1,0,0,0,0,0|1,0,1]=3 15 B10R1.113 N=C(N)C1=CC(F)=CC=C1 4088368 [1,0,0,0,0,0|3,0,0]=4 16 B12R1.354 CNC(=O)C1=C(F)C=CC(N)=C1 4089864 [0,1,0,0,0,0|2,0,0]=3 17 B12R1.354 COC(=O)C1=C(Cl)C=CC(N)=C1 4088127 [0,1,0,0,0,0|2,0,0]=3 18 B12R1.894 CC1=C(C(=O)O)C(=O)N(C)C=C1 4110714 [0,1,0,0,0,0|3,0,0]=4 19 B10R1.59 CC(=O)C1=C(C)SC(C)=N1 4089989 [0,0,0,0,1,0|3,0,0]=4 20 B10R1.59 CC(=O)C1=CN(C)N=C1C 4002405 [0,0,0,0,1,0|3,0,0]=4 21 B10R1.59 CC(=O)C1=NN(C)C=C1Cl 4030700 [0,0,0,0,1,0|3,0,0]=4 22 B9R1.2 CNC1=CC(Cl)=CC=C1 3020438 [2,0,0,0,0,0|2,0,0]=4 23 B9R1.69 CC1=CC(=O)C(O)=CO1 4045348 [2,0,0,0,0,0|1,0,0]=3 24 B9R1.69 CC1=CN=C(N)C(C)=C1 4090966 [2,0,0,0,0,0|2,0,0]=4 25 B9R1.6 CC(=O)C1=NC=CN=C1 3020083 [2,0,0,0,0,0|2,0,0]=4 26 B11R1.37 COC1=C(C=O)C=C(C)N=C1 4067969 [1,1,0,0,0,0|1,0,0]=3 27 B11R1.53 NCC1=CC=CC=C1C(=O)O 4090789 [1,1,0,0,0,0|2,0,0]=4 28 B11R1.21 CC1=C(C)N=CC(C(=O)O)=C1 4091150 [1,1,0,0,0,0|2,0,0]=4 29 B11R1.266 CCC1=NC=CC(C(=O)O)=C1 4036495 [1,1,0,0,0,0|2,0,0]=4 30 B11R1.266 CNC1=NC=CC(C(=O)O)=C1 4015123 [1,1,0,0,0,0|2,0,0]=4 31 B11R1.49 COC1=C(C(=O)O)SC(C)=C1 4041180 [0,1,0,0,1,0|2,0,0]=4 32 B13R1.2872 NCC(=O)NC1=CC(F)=CC=C1F 4088643 [0,1,0,0,0,1|2,0,0]=4 33 B13R1.3089 COC1=CC=C(N)C=C1NC(C)=O 4090468 [0,1,0,0,0,1|1,0,0]=3 34 B13R1.141 CCOC1=CC=C(N)C=C1C(=O)O 4088146 [0,2,0,0,0,0|2,0,0]=4 35 B13R1.2209 CNC(=O)C1=CC(N)=CC=C1OC 4034231 [0,2,0,0,0,0|1,0,0]=3 36 B13R1.2209 CNC(=O)C1=CC(N)=CC=C1OC 4088592 [0,2,0,0,0,0|1,0,0]=3 37 B13R1.4789 COC(=O)C1=CC(C)=CC(Br)=C1N 9033713 [0,2,0,0,0,0|1,0,0]=3 38 B11R2.1 CC1=NNC2=CC=CC=C21 4088223 [1,0,0,1,0,0|2,0,0]=4 39 B11R2.1 NC1=NOC2=CC=CC=C21 3020311 [1,0,0,1,0,0|2,0,0]=4 40 B11R2.1 NC1COC2=CC=CC=C21 4088614 [1,0,0,1,0,0|1,0,1]=4 41 B13R2.155 NC1=CC2=C(C=C1)OCC(=O)N2 4027629 [0,0,0,1,0,1|1,0,0]=3 42 B13R2.155 NC1=CC=C2CCC(=O)NC2=C1 3001973 [0,0,0,1,0,1|2,0,0]=4 43 B13R2.2136 CC1=CC=C2NN=C(CN)C2=C1 4091064 [0,1,0,1,0,0|2,0,0]=4 44 B13R2.3028 CC1=CC2=C(C=C1)NC(=O)C2=O 3020317 [0,1,0,1,0,0|1,0,1]=4 45 B9R1.27 CC1=NNC(O)=C1C=O 3001850 [1,0,0,0,1,0|2,0,0]=4 46 B9R1.35 CC1=CC(C(=O)O)=CS1 3002756 [1,0,0,0,1,0|2,0,0]=4 47 B9R1.35 CC1=CC=C(C(=O)O)S1 3001579 [1,0,0,0,1,0|2,0,0]=4 48 B11R1.157 CC1=CC(CC(=O)O)=NC=C1 4079088 [1,0,0,0,0,1|2,0,0]=4