0 B11R1.91 N=C(N)CCC1=CC=CC=C1 4091002 [1,0,0,0,0,0|2,0,0]=3 1 B11R1.91 N=C(N)NCC1=CC=CC=C1 4087928 [1,0,0,0,0,0|3,0,0]=4 2 B11R1.91 N=C(N)NCC1=CC=CC=C1 4089197 [1,0,0,0,0,0|3,0,0]=4 3 B11R1.91 O=C(O)\C=C\C1=CC=CN=C1 3020214 [1,0,0,0,0,0|1,0,2]=4 4 B13R1.133 CC(OC1=CC=C(Br)C=C1)C(=O)O 3013843 [0,1,0,0,0,0|2,0,0]=3 5 B13R1.148 CC1=CC(OC(C)C(=O)O)=CC=C1 3013839 [0,1,0,0,0,0|2,0,0]=3 6 B13R2.369 NC1CC2=CC=CC=C2NC1=O 3002841 [0,0,0,1,0,0|1,0,0]=2 7 B13R2.435 O=C(O)C1=NC2=C(N=CC=C2)N1 4042970 [0,0,0,1,0,0|2,0,1]=4 8 B13R2.435 O=C(O)C1=NC2=CC=CC=C2O1 4088837 [0,0,0,1,0,0|1,0,2]=4 9 B13R2.435 O=C(O)C1=NC2=CC=CC=C2S1 4087999 [0,0,0,1,0,0|1,0,2]=4 10 B11R1.36 CC(C)[C@@H](N)C1=CC=CC=C1 4029051 [0,0,0,0,1,0|2,0,1]=4 11 B11R1.36 CC(C)[C@@H](N)C1=CC=CC=C1 4088960 [0,0,0,0,1,0|2,0,1]=4 12 B11R1.36 N=C(N)[C@@H](O)C1=CC=CC=C1 4079011 [0,0,0,0,1,0|3,0,0]=4 13 B11R1.36 N=C(N)[C@H](O)C1=CC=CC=C1 4052271 [0,0,0,0,1,0|3,0,0]=4 14 B13R1.348 CN(CC(=O)O)CC1=CC=CC=C1 4040865 [0,0,0,0,0,1|2,0,0]=3 15 B13R1.351 CC(NCC1=CC=CC=C1)C(=O)O 4088850 [0,0,0,0,0,1|1,0,0]=2 16 B10R1.18 CC(N)CC1=CC=CC=N1 4000001 [2,0,0,0,0,0|1,0,1]=4 17 B10R1.18 CC(N)CC1=CC=NC=C1 4002036 [2,0,0,0,0,0|1,0,1]=4 18 B12R1.107 CN(CC(=O)O)C1=CC=CC=C1 4089836 [1,1,0,0,0,0|1,0,0]=3 19 B12R1.225 NC(C(=O)O)C1=CC=CC(O)=C1 4090636 [0,1,0,0,1,0|0,0,0]=2 20 B12R1.253 CC(N)(C(=O)O)C1=CC=CC=C1 4090016 [0,1,0,0,1,0|0,0,0]=2 21 B12R1.478 CNC(C(=O)O)C1=CN=CC=C1 4141573 [0,1,0,0,1,0|1,0,0]=3 22 B14R1.6049 CC(OC1=CC=C(Br)C=C1Cl)C(=O)O 3013830 [0,2,0,0,0,0|2,0,0]=4 23 B14R1.6049 CC(OC1=CC=C(F)C=C1F)C(=O)O 3013832 [0,2,0,0,0,0|2,0,0]=4 24 B14R1.6049 NC(CN1C=CC(=O)NC1=O)C(=O)O 4089502 [0,2,0,0,0,0|2,0,0]=4 25 B14R1.6049 NC(CN1C=CC(=O)NC1=O)C(=O)O 5730793 [0,2,0,0,0,0|2,0,0]=4 26 B14R1.7626 CC(C)(OC1=CC=C(Br)C=C1)C(=O)O 3013927 [0,2,0,0,0,0|2,0,0]=4 27 B14R1.7626 CC(C)(OC1=CC=C(F)C=C1)C(=O)O 3013944 [0,2,0,0,0,0|2,0,0]=4 28 B14R1.7626 CC1=CC=C(OC(C)(C)C(=O)O)C=C1 3013922 [0,2,0,0,0,0|2,0,0]=4 29 B14R1.153 CC1=C(C)C(OC(C)C(=O)O)=CC=C1 3006189 [0,2,0,0,0,0|2,0,0]=4 30 B14R1.4257 CC1=CC(C)=CC(OC(C)C(=O)O)=C1 3013842 [0,2,0,0,0,0|2,0,0]=4 31 B14R1.3135 COC1=CC=CC=C1OC(C)C(=O)O 3006194 [0,2,0,0,0,0|2,0,0]=4 32 B12R2.24 NC1CCC2=C(C=CC=C2)C1 4087906 [1,0,0,1,0,0|1,0,1]=4 33 B12R2.24 NC1COC2=CC=CC=C2C1 4089584 [1,0,0,1,0,0|0,0,1]=3 34 B12R2.24 N[C@@H]1COC2=C(C=CC=C2)C1 4093276 [1,0,0,1,0,0|0,0,1]=3 35 B12R2.24 N[C@H]1COC2=CC=CC=C2C1 4092002 [1,0,0,1,0,0|0,0,1]=3 36 B12R2.94 NC1(CC2=CC=CC=C2)CC1 4088247 [1,0,0,1,0,0|1,0,1]=4 37 B14R2.768 O=C(O)CN1CC2=CC=CC=C2C1 4090659 [0,0,0,1,0,1|2,0,0]=4 38 B14R2.4529 O=C(O)C1=CC2=CC(Cl)=CC=C2N1 3020063 [0,1,0,1,0,0|0,0,2]=4 39 B14R2.4529 O=C(O)C1CC2=CC(Cl)=CC=C2N1 4088289 [0,1,0,1,0,0|0,0,0]=2 40 B14R2.450 CC1=C(C(=O)O)NC2=CC=CC=C21 4140536 [0,1,0,1,0,0|0,0,2]=4 41 B14R2.450 CN1C(C(=O)O)=NC2=C1C=CC=C2 4400229 [0,1,0,1,0,0|1,0,1]=4