0 B11R1.91 N=C(N)CCC1=CC=CC=C1 4091002 [0,0,0,0,0,0|2,0,2]=4 1 B11R1.91 N=C(N)NCC1=CC=CC=C1 4087928 [0,0,0,0,0,0|3,0,1]=4 2 B11R1.91 N=C(N)NCC1=CC=CC=C1 4089197 [0,0,0,0,0,0|3,0,1]=4 3 B11R1.91 O=C(O)\C=C\C1=CC=CN=C1 3020214 [0,0,0,0,0,0|1,0,0]=1 4 B10R1.17 NC\C=C\C1=CC=CC=C1 4090564 [1,0,0,0,0,0|1,0,1]=3 5 B12R1.107 CN(CC(=O)O)C1=CC=CC=C1 4089836 [0,1,0,0,0,0|1,0,1]=3 6 B10R1.18 CC(=O)CC1=CC=CN=C1 4090943 [0,0,0,0,1,0|2,0,1]=4 7 B11R1.28 CNC\C=C\C1=CC=CC=C1 9070687 [1,1,0,0,0,0|1,0,1]=4 8 B11R1.157 CC1=CC(CC(=O)O)=NC=C1 4079088 [0,1,0,0,1,0|1,0,1]=4 9 B13R1.149 CC1=CC(OCCC(=O)O)=CC=C1 5579227 [0,1,0,0,0,1|0,0,2]=4 10 B13R1.348 CN(CC(=O)O)CC1=CC=CC=C1 4040865 [0,1,0,0,0,1|0,0,2]=4 11 B13R1.351 CC(NCC1=CC=CC=C1)C(=O)O 4088850 [0,1,0,0,0,1|0,0,2]=4 12 B13R1.14 COC(=O)COC1=CC=C(N)C=C1 4091347 [0,2,0,0,0,0|1,0,1]=4 13 B13R1.133 CC(OC1=CC=C(Br)C=C1)C(=O)O 3013843 [0,2,0,0,0,0|1,0,1]=4 14 B13R1.164 O=C(O)COC1=CC=C(Br)C=C1Cl 3013794 [0,2,0,0,0,0|1,0,1]=4 15 B13R1.164 O=C(O)COC1=CC=C(F)C=C1Cl 3013821 [0,2,0,0,0,0|1,0,1]=4 16 B13R1.511 CC1=CC(OCC(=O)O)=CC=C1Cl 3013826 [0,2,0,0,0,0|1,0,1]=4 17 B13R1.11 COC(=O)CC(N)C1=CC=CC=C1 4089654 [0,2,0,0,0,0|0,0,2]=4 18 B13R1.148 CC1=CC(OC(C)C(=O)O)=CC=C1 3013839 [0,2,0,0,0,0|1,0,1]=4 19 B13R1.347 O=C(O)CS(=O)(=O)C1=CC=CC=C1 3002550 [0,2,0,0,0,0|1,0,1]=4 20 B11R1.53 NCC1=CC=CC=C1C(=O)O 4090789 [0,0,1,1,0,0|1,0,1]=4 21 B13R2.72 N=C(N)C1=CNC2=CC=CC=C21 4090974 [0,0,0,1,0,1|2,0,0]=4 22 B13R2.72 O=C(O)C1=C2N=CC=CN2N=C1 4401593 [0,0,0,1,0,1|2,0,0]=4 23 B13R2.72 O=C(O)C1=CC=C2C=CC=CN21 4003575 [0,0,0,1,0,1|1,0,0]=3 24 B13R2.72 O=C(O)C1=CSC2=C1C=CC=C2 3001896 [0,0,0,1,0,1|0,0,0]=2 25 B13R2.72 O=C([O-])C1=CC=C2C=CC=CN21 4110611 [0,0,0,1,0,1|1,0,1]=4 26 B13R2.57 NCC1=CC=C2C=CC=CC2=N1 4089010 [0,1,0,1,0,0|2,0,0]=4 27 B13R2.435 O=C(O)C1=NC2=C(N=CC=C2)N1 4042970 [0,1,0,1,0,0|2,0,0]=4 28 B13R2.435 O=C(O)C1=NC2=CC=CC=C2O1 4088837 [0,1,0,1,0,0|1,0,0]=3 29 B13R2.435 O=C(O)C1=NC2=CC=CC=C2S1 4087999 [0,1,0,1,0,0|1,0,0]=3 30 B13R2.328 O=C1C=C(O)C2=C(C=CC=C2)S1 5102960 [0,1,0,1,0,0|0,1,0]=3