0 B13R1.337 CC(=O)OC\C=C\C1=CC=CC=C1 CS11144 [0,0,0,0,0,0|0,0,0]=0 1 B13R1.337 O=C(O)CCOCC1=CC=CC=C1 MC443424 [0,0,0,0,0,0|3,0,1]=4 2 B13R1.337 O=C(O)CCSCC1=CC=CC=C1 MC439151 [0,0,0,0,0,0|3,0,1]=4 3 B14R1.420 O=C(O)CCCC(=O)C1=CC=CC=C1 MC21009 [0,1,0,0,0,0|2,0,1]=4 4 B14R1.677 CC(=O)NCCOC1=CC=C(I)C=C1 MC112559 [0,1,0,0,0,0|2,0,1]=4 5 B14R1.6449 CC(=O)N(C)CCCC1=CC=CC=C1 MC425591 [0,1,0,0,0,0|1,0,2]=4 6 B14R2.2 CC(=O)OC1=CNC2=CC=CC=C21 MC426069 [0,0,0,1,0,0|1,0,1]=3 7 B14R2.19 O=C1CCN(CC2=CC=CC=C2)C1 CS22300 [0,0,0,1,0,0|2,0,1]=4 8 B14R2.19 O=C1NC(CC2=CC=CC=C2)CO1 CS10013 [0,0,0,1,0,0|1,0,2]=4 9 B14R2.19 O=C1NC(CC2=CC=CC=C2)CO1 CS10014 [0,0,0,1,0,0|1,0,2]=4 10 B14R2.21 CC1=CC(C2=CC=CC=C2)=CC=C1 MC440439 [0,0,0,1,0,0|2,0,1]=4 11 B14R2.21 CC1=CC(C2=CC=CC=C2)=CN=C1 MC425429 [0,0,0,1,0,0|3,0,0]=4 12 B14R2.21 O=C1CC(C2=CC=CC=C2)CCN1 CS15109 [0,0,0,1,0,0|1,0,2]=4 13 B14R2.21 O=C1CCNC(C2=CC=CC=C2)C1 MC106734 [0,0,0,1,0,0|2,0,1]=4 14 B14R2.21 O=C1CCOC(C2=CC=CC=C2)C1 CS21738 [0,0,0,1,0,0|2,0,1]=4 15 B14R2.436 O=C1CC(OCC2=CC=CC=C2)C1 CS12839 [0,0,0,1,0,0|2,0,1]=4 16 B14R2.31359 CC(=O)C1=CC=CC2=CC=CC=C21 CS20585 [0,0,0,1,0,0|1,0,1]=3 17 B14R2.31359 O=C(O)C1=CC=CC2=CC=CC=C21 CS16170 [0,0,0,1,0,0|2,0,1]=4 18 B14R2.31359 O=C(O)C1=NC=CC2=CC=CC=C21 CS21774 [0,0,0,1,0,0|3,0,0]=4 19 B12R1.252 CC(=O)OCCC1=CC=CC=C1 MC40009 [0,0,0,0,1,0|0,0,1]=2 20 B12R1.252 CC(C)=CCSC1=CC=CC=C1 MC41831 [0,0,0,0,1,0|3,0,0]=4 21 B12R1.252 O=C(O)CCOC1=CC=CC=C1 MC40204 [0,0,0,0,1,0|2,0,1]=4 22 B12R1.252 O=C(O)CNCC1=CC=CC=C1 CS21182 [0,0,0,0,1,0|2,0,1]=4 23 B12R1.252 O=C(O)COCC1=CC=CC=C1 CS14115 [0,0,0,0,1,0|2,0,1]=4 24 B11R1.28 Cl[Zn]C\C=C\c1ccccc1 MC116079 [2,0,0,0,0,0|2,0,0]=4 25 B11R1.28 O=CCOCC1=CC=CC=C1 MC429084 [2,0,0,0,0,0|1,0,1]=4 26 B13R1.45 O=C(O)CCC(=O)C1=CC=CC=C1 CS22116 [0,1,0,0,1,0|1,0,1]=4 27 B13R1.45 O=C(O)CNC(=O)C1=CC=CC=C1 MC439497 [0,1,0,0,1,0|2,0,0]=4 28 B13R1.45 O=C(O)CNC(=O)c1ccccc1 MC34005 [0,1,0,0,1,0|2,0,0]=4 29 B15R1.959 COC(=O)CCCC(=O)C1=CC=CC=C1 MC20148 [0,2,0,0,0,0|1,0,1]=4 30 B15R1.959 COC(=O)CCNC(=O)C1=CC=CC=C1 CS14755 [0,2,0,0,0,0|2,0,0]=4 31 B15R1.741 COC(=O)CC(=O)\C=C\C1=CC=CC=C1 MC430692 [0,2,0,0,0,0|1,0,1]=4 32 B13R2.3 C1=CC=C(C2=CCOCC2)C=C1 MC113029 [1,0,0,1,0,0|0,0,1]=3 33 B13R2.15 CC1=NNC=C1C2=CC=CC=C2 MC441027 [1,0,0,1,0,0|2,0,0]=4 34 B13R2.10 NC1=NC(C2=CC=CC=C2)=CO1 MC21050 [0,0,0,1,1,0|2,0,0]=4 35 B13R2.10 O=C1CC(C2=CC=CC=C2)CN1 CS13543 [0,0,0,1,1,0|1,0,1]=4 36 B13R2.10 O=C1NC(C2=CC=CC=C2)=CS1 MC103859 [0,0,0,1,1,0|1,1,0]=4 37 B13R2.10 O=C1NC(C2=CC=CC=C2)CO1 CS11041 [0,0,0,1,1,0|1,0,1]=4 38 B13R2.10 O=C1NC(C2=CC=CC=C2)CO1 CS11043 [0,0,0,1,1,0|1,0,1]=4 39 B13R2.72 CC(=O)C1=CNC2=CC=CC=C21 CS10069 [0,0,0,1,1,0|1,0,1]=4 40 B15R2.6 O=C(O)CCC1=CNC2=CC=CC=C12 MC10291 [0,0,0,1,0,1|2,0,0]=4 41 B15R2.31 O=C1CN(CC2=CC=CC=C2)CCO1 MC442304 [0,0,0,1,0,1|0,0,2]=4 42 B15R2.1668 CC(=O)OC1=CC=C2N=CC=CC2=C1 MC106776 [0,1,0,1,0,0|1,0,1]=4 43 B15R2.612 O=C1CC(OC(=O)C2=CC=CC=C2)C1 MC113128 [0,1,0,1,0,0|2,0,0]=4 44 B15R2.14628 CC(=O)C1=CC=C(Br)C2=CC=CC=C12 CS18322 [0,1,0,1,0,0|1,0,1]=4 45 B15R2.14628 CC(=O)C1=CC=C(F)C2=CC=CC=C12 MC443135 [0,1,0,1,0,0|1,0,1]=4 46 B15R2.79765 O=C(CBr)C1=CC=CC2=CC=CC=C21 MC33451 [0,1,0,1,0,0|1,0,1]=4 47 B15R3.14759 O=C1CC2=CC=CC3=CC=CC1=C32 MC425705 [0,0,0,2,0,0|1,0,1]=4 48 B11R1.91 CC(=O)COC1=CC=CC=C1 MC433248 [0,0,0,0,2,0|1,0,0]=3 49 B11R1.91 CC(=O)OCC1=CC=CN=C1 MC33425 [0,0,0,0,2,0|1,0,0]=3 50 B11R1.91 NC(=O)OCC1=CC=CC=C1 MC428066 [0,0,0,0,2,0|1,0,0]=3 51 B11R1.91 NC(=O)\C=C\C1=CC=CC=C1 CS21725 [0,0,0,0,2,0|1,0,0]=3 52 B11R1.91 O=C(Cl)OCC1=CC=CC=C1 MC42251 [0,0,0,0,2,0|1,0,0]=3 53 B11R1.91 O=C(O)CNc1ccccc1 MC439073 [0,0,0,0,2,0|2,0,0]=4 54 B11R1.91 O=C(O)\C=C\C1=CC=CC=C1 MC40211 [0,0,0,0,2,0|1,0,0]=3 55 B11R1.91 O=C(O)\C=C\C1=CC=CN=C1 MC20186 [0,0,0,0,2,0|2,0,0]=4 56 B11R1.91 O=C(O)\C=C\C1=CC=CN=C1 MC20799 [0,0,0,0,2,0|2,0,0]=4 57 B11R1.91 O=[N+]([O-])\C=C\C1=CC=CC=C1 MC443830 [0,0,0,0,2,0|2,0,0]=4