0 B13R2.435 O=C(O)C1=NC2=C(N=CC=C2)N1 4042970 [0,0,0,0,0,0|2,0,0]=2 1 B13R2.435 O=C(O)C1=NC2=CC=CC=C2O1 4088837 [0,0,0,0,0,0|1,0,1]=2 2 B13R2.435 O=C(O)C1=NC2=CC=CC=C2S1 4087999 [0,0,0,0,0,0|1,0,1]=2 3 B12R2.32 NCC1=CC2=CC=CC=C2S1 4090276 [1,0,0,0,0,0|2,0,1]=4 4 B12R2.32 NCC1=NC2=C(C=CC=C2)N1 4088829 [1,0,0,0,0,0|2,0,1]=4 5 B14R2.450 CC1=C(C(=O)O)N=C2N=CC=CN21 4108198 [0,1,0,0,0,0|2,0,1]=4 6 B14R2.450 CC1=C(C(=O)O)NC2=CC=CC=C21 4140536 [0,1,0,0,0,0|0,0,0]=1 7 B14R2.450 CC1=C(C(=O)O)OC2=C1C=CC=C2 3002588 [0,1,0,0,0,0|1,0,0]=2 8 B14R2.450 CN1C(C(=O)O)=NC2=C1C=CC=C2 4400229 [0,1,0,0,0,0|1,0,0]=2 9 B14R2.450 O=C(O)C1=NN2C=CC=NC2=C1Cl 3001999 [0,1,0,0,0,0|2,0,1]=4 10 B14R2.4529 CC1=CC2=NC(C(=O)O)=CN2C=C1 4088370 [0,1,0,0,0,0|1,0,1]=3 11 B14R2.4529 CC1=CN2N=C(C(=O)O)C=C2N=C1 3002394 [0,1,0,0,0,0|2,0,1]=4 12 B14R2.4529 O=C(O)C1=CC2=CC(Cl)=CC=C2N1 3020063 [0,1,0,0,0,0|0,0,0]=1 13 B14R2.4529 O=C(O)C1=CN2C=C(Cl)C=NC2=N1 4043789 [0,1,0,0,0,0|2,0,1]=4 14 B14R2.4529 O=C(O)C1=CN2C=C(Cl)C=NC2=N1 4089960 [0,1,0,0,0,0|2,0,1]=4 15 B14R2.4529 O=C(O)C1CC2=CC(Cl)=CC=C2N1 4088289 [0,1,0,0,0,0|0,0,2]=3 16 B14R2.7969 CC1=CC=CN2C=C(C(=O)O)N=C12 4089331 [0,1,0,0,0,0|1,0,1]=3 17 B14R2.768 O=C(O)CC1=NC2=CC=CC=C2O1 4088452 [0,0,0,0,0,1|1,0,1]=3 18 B14R2.768 O=C(O)CN1CC2=CC=CC=C2C1 4090659 [0,0,0,0,0,1|2,0,1]=4 19 B11R1.91 O=C(O)\C=C\C1=CC=CN=C1 3020214 [1,0,1,0,0,0|1,0,0]=3 20 B13R2.43 NC1=CC=C2NC(CO)=NC2=C1 4088584 [1,1,0,0,0,0|1,0,1]=4 21 B13R2.43 NCC1=CC2=CC(Cl)=CC=C2N1 4090049 [1,1,0,0,0,0|1,0,1]=4 22 B13R2.43 NCC1=CC2=CC(F)=CC=C2N1 4089627 [1,1,0,0,0,0|1,0,1]=4 23 B13R2.43 O=CC1=CC2=CC(Br)=CC=C2N1 4030140 [1,1,0,0,0,0|0,0,0]=2 24 B15R2.984 O=C(O)C1=CC2=CC=CC=C2NC1=O 4009893 [0,1,0,0,0,1|0,0,0]=2 25 B15R2.1601 NNC(=O)C1=CC=C2C=CC=CC2=C1 3001995 [0,1,0,0,0,1|2,0,0]=4 26 B15R2.14951 CN1CC(C(=O)O)OC2=CC=CC=C21 4044380 [0,1,0,0,0,1|1,0,1]=4 27 B15R2.14951 O=C1CC(C(=O)O)NC2=CC=CC=C12 4042891 [0,1,0,0,0,1|0,0,1]=3 28 B15R2.61353 NC1=C2N=C(C(=O)O)C=CC2=CC=C1 4108970 [0,1,0,0,0,1|0,0,1]=3 29 B15R2.1592 CC1=C(C(=O)NN)OC2=C1C=CC=C2 3015348 [0,2,0,0,0,0|2,0,0]=4 30 B15R2.7203 O=C(O)C1=C(F)N2C=C(Cl)C=CC2=N1 4089304 [0,2,0,0,0,0|1,0,1]=4 31 B15R2.13463 CN1C(C(=O)O)=CC2=C(Cl)C=CC=C21 4034013 [0,2,0,0,0,0|0,0,0]=2 32 B15R2.13629 O=C(O)C1=C(Cl)C2=C(C=CC=C2F)S1 3013964 [0,2,0,0,0,0|1,0,0]=3 33 B15R2.14758 CC1=CC2=C(C=C1)C(Cl)=C(C(=O)O)S2 3001667 [0,2,0,0,0,0|1,0,0]=3 34 B15R2.14758 CC1=CC2=NC(C(=O)O)=C(F)N2C=C1 4091124 [0,2,0,0,0,0|1,0,1]=4 35 B15R2.14758 O=C(O)C1=C(Cl)C2=C(C=C(F)C=C2)S1 3002299 [0,2,0,0,0,0|1,0,0]=3 36 B15R2.4834 COC1=CC=C2NC(C(=O)O)=CC2=C1 3020286 [0,2,0,0,0,0|0,0,0]=2 37 B15R2.15633 CC1=CC(C)=C2C=C(C(=O)O)NC2=C1 4032863 [0,2,0,0,0,0|0,0,0]=2 38 B15R2.15633 O=C(O)C1=CC2=CC(F)=CC(F)=C2N1 4033095 [0,2,0,0,0,0|0,0,0]=2 39 B13R2.72 O=C(O)C1=CC=C2C=CC=CN21 4003575 [0,0,1,1,0,0|0,0,0]=2 40 B13R2.72 O=C(O)C1=CSC2=C1C=CC=C2 3001896 [0,0,1,1,0,0|2,0,0]=4 41 B13R2.72 O=C([O-])C1=CC=C2C=CC=CN21 4110611 [0,0,1,1,0,0|0,0,1]=3 42 B13R2.430 O=C(O)C1=CC=C2C=CNC2=C1 3020064 [0,0,1,1,0,0|2,0,0]=4 43 B13R2.5569 O=C(O)C1=C2C=CNC2=CC=C1 3020092 [0,0,1,1,0,0|2,0,0]=4 44 B13R1.351 CC(NCC1=CC=CC=C1)C(=O)O 4088850 [0,0,1,0,0,1|0,0,2]=4 45 B15R2.1660 O=C(O)CCC1=CN2C=CC=CC2=N1 4010282 [0,0,0,0,0,2|1,0,1]=4 46 B15R2.1660 O=C(O)CCC1=CN2C=CC=CC2=N1 4088843 [0,0,0,0,0,2|1,0,1]=4 47 B15R2.1660 O=C(O)CNC1=NC2=C(C=CC=C2)S1 5109398 [0,0,0,0,0,2|1,0,1]=4