0 B17R2.353364 CNC(=O)COC1=C2C=CC=CC2=CC=C1 Z19768736 [0,0,0,0,0,0|2,0,2]=4 1 B17R2.353364 C[C@@H](CO)NCC1=C2C=CC=CC2=CC=C1 Z1432295205 [0,0,0,0,0,0|4,0,0]=4 2 B17R2.353364 NCC(O)COC1=C2C=CC=CC2=CC=C1 Z271072326 [0,0,0,0,0,0|0,0,0]=0 3 B17R2.353364 OCC(O)COC1=C2C=CC=CC2=CC=C1 Z1551645244 [0,0,0,0,0,0|1,0,0]=1 4 B16R2.50359 BrCCCOC1=C2C=CC=CC2=CC=C1 Z381035818 [1,0,0,0,0,0|1,0,0]=2 5 B16R2.50359 NCCCNC1=C2C=CC=CC2=CN=N1 Z425847126 [1,0,0,0,0,0|3,0,0]=4 6 B16R2.50359 NCCCOC1=C2C=CC=CC2=CC=C1 Z803129952 [1,0,0,0,0,0|0,0,0]=1 7 B16R2.50359 NCCCOC1=C2N=CC=CC2=CC=C1 Z1222278668 [1,0,0,0,0,0|1,0,0]=2 8 B16R2.50359 OCCCOC1=C2C=CC=CC2=CC=C1 Z425795926 [1,0,0,0,0,0|1,0,0]=2 9 B16R2.179941 CC(O)CNC1=C2C=CC=CC2=NC=N1 Z127167568 [1,0,0,0,0,0|3,0,0]=4 10 B16R2.179941 FC(F)CNC1=C2C=CC=CC2=CC=C1 Z608352176 [1,0,0,0,0,0|3,0,0]=4 11 B16R2.179941 NC(=O)CNC1=C2C=CC=CC2=CC=C1 Z104644698 [1,0,0,0,0,0|1,0,2]=4 12 B16R2.179941 NC(=O)COC1=C2C=CC=CC2=CC=C1 Z19769010 [1,0,0,0,0,0|0,0,2]=3 13 B16R2.179941 NC(=O)COC1=C2N=CC=CC2=CC=C1 Z19645843 [1,0,0,0,0,0|1,0,2]=4 14 B16R2.179941 O=C(O)CCC1=C2C=CC=CC2=CC=C1 Z317037922 [1,0,0,0,0,0|2,0,1]=4 15 B16R2.179941 O=C(O)COC1=C2C=CC=CC2=CC=C1 Z56900768 [1,0,0,0,0,0|1,0,1]=3 16 B16R2.179941 O=C(O)COC1=C2N=CC=CC2=CC=C1 Z1665253539 [1,0,0,0,0,0|2,0,1]=4 17 B18R2.95290 OCC(O)CNC1=C2C=CC(=CC2=NC=C1)Br Z1765128925 [0,1,0,0,0,0|3,0,0]=4 18 B18R2.95331 OCC(O)CNC1=C2C=CC=CC2=C(C=N1)I Z2734328266 [0,1,0,0,0,0|3,0,0]=4 19 B18R2.95340 CC1=NC(=C2C=CC=CC2=C1)NCC(O)CO Z1765130317 [0,1,0,0,0,0|3,0,0]=4 20 B18R2.101777 OCC(O)CNC1=C2C=CC=CC2=NC=C1I Z3300260357 [0,1,0,0,0,0|3,0,0]=4 21 B18R2.696959 OCC(O)CNC1=C2C=C(C=CC2=NC=C1)Br Z1765130874 [0,1,0,0,0,0|3,0,0]=4 22 B18R2.696959 OCC(O)CNC1=C2C=C(C=CC2=NC=C1)Cl Z1765130835 [0,1,0,0,0,0|3,0,0]=4 23 B18R2.892603 CCNC(=O)COC1=C2C=CC=CC2=CC=C1 Z19768739 [0,1,0,0,0,0|1,0,2]=4 24 B18R2.904449 CC(OC1=C2C=CC=CC2=CC=C1)C(=O)NN Z111834328 [0,1,0,0,0,0|1,0,2]=4 25 B18R3.14455 C1=CC2=CC=CC(=C2C=C1)COC3CNC3 Z1505387452 [0,0,0,1,0,0|3,0,0]=4 26 B16R2.170412 NCC(=O)NC1=C2C=CC=CC2=CC=C1 Z234896387 [0,0,0,0,1,0|1,0,2]=4 27 B16R2.170412 NNC(=O)CC1=C2C=CC=CC2=CC=C1 Z57205730 [0,0,0,0,1,0|1,0,2]=4 28 B15R2.18471 BrCCCC1=C2C=CC=CC2=CC=C1 Z993019496 [2,0,0,0,0,0|1,0,0]=3 29 B15R2.18471 CCCC[N+]1=C2C=CC=CC2=CC=C1 Z57931443 [2,0,0,0,0,0|2,0,0]=4 30 B15R2.18471 CCCNC1=C2C=CC=CC2=CC=C1 Z334888486 [2,0,0,0,0,0|1,0,0]=3 31 B15R2.18471 CCCNC1=C2C=CC=NC2=CC=C1 Z334908888 [2,0,0,0,0,0|2,0,0]=4 32 B15R2.18471 CCCNC1=C2N=CC=CC2=CC=C1 Z334895176 [2,0,0,0,0,0|2,0,0]=4 33 B15R2.18471 CNCCC1=C2C=CC=CC2=CC=C1 Z385447156 [2,0,0,0,0,0|2,0,0]=4 34 B15R2.18471 NCCCC1=C2C=CC=CC2=CC=C1 Z4824791602 [2,0,0,0,0,0|0,0,0]=2 35 B15R2.18471 NCCNC1=C2C=CC=CC2=CC=C1 Z104474916 [2,0,0,0,0,0|1,0,0]=3 36 B15R2.18471 NCCOC1=C2C=CC=CC2=CC=C1 Z600428460 [2,0,0,0,0,0|0,0,0]=2 37 B15R2.18471 OCCCC1=C2C=CC=CC2=CC=C1 Z993012474 [2,0,0,0,0,0|1,0,0]=3 38 B15R2.18471 OCCOC1=C2C=CC=CC2=NC=C1 Z1255367730 [2,0,0,0,0,0|1,0,0]=3 39 B17R2.148072 N#CCCCOC1=C2C=CC=CC2=CC=C1 Z54445416 [1,1,0,0,0,0|0,0,1]=3 40 B17R2.148072 NCCCCCC1=C2C=CC=CC2=CC=C1 Z4196175408 [1,1,0,0,0,0|1,0,0]=3 41 B17R2.291558 O=C(O)CCOC1=C2C=CC=CC2=CC=C1 Z240085196 [1,1,0,0,0,0|1,0,1]=4 42 B17R2.39629 CC(O)CNC1=C2C=CC=CC2=C(C=N1)Br Z1262406858 [1,1,0,0,0,0|2,0,0]=4 43 B17R2.39629 O=C(O)COC1=C2C=CC=CC2=C(C=C1)Cl Z65583844 [1,1,0,0,0,0|1,0,1]=4 44 B17R2.252033 C[C@H](O)COC1=C2C(=CC=CC2=NC=N1)F Z2901007078 [1,1,0,0,0,0|2,0,0]=4 45 B17R2.520754 CC(OC1=C2C=CC=CC2=CC=C1)C(=O)O Z111834290 [1,1,0,0,0,0|1,0,1]=4 46 B19R2.202032 COC[C@H](O)COC1=C2C=CC(=NC2=CC=C1)C Z1675672469 [0,2,0,0,0,0|2,0,0]=4 47 B19R2.1682031 CCOCC(O)COC1=C2N=CC=CC2=CC=C1 Z1894238387 [0,2,0,0,0,0|2,0,0]=4 48 B17R3.1965 C1=CC2=CC=CC(=C2C=C1)NCC3CO3 Z2896019742 [1,0,0,1,0,0|2,0,0]=4 49 B17R3.1965 C1=CC2=CC=CC(=C2C=C1)OCC3CO3 Z90123337 [1,0,0,1,0,0|1,0,0]=3 50 B17R3.2679 C1=CC2=CC=CC(=C2C=C1)C3CCCN3 Z285198402 [1,0,0,1,0,0|1,0,0]=3 51 B17R3.31 OC1CNC2=C3C=CC=CC3=CC=C2C1 Z56943435 [1,0,0,1,0,0|1,0,0]=3 52 B17R3.18998 NC1COC2=C(C1)C3=C(C=CC=C3)C=C2 Z2595368903 [0,0,0,1,1,0|2,0,0]=4 53 B15R2.5 NCCCCC1=CNC2=C1C=CC=C2 Z3766503508 [1,0,0,0,1,0|2,0,0]=4 54 B15R2.68122 O=C(O)CC1=C2C=CC=CC2=CC=C1 Z57169437 [1,0,0,0,1,0|1,0,1]=4 55 B15R2.79765 NCC(=O)C1=C2C=CC=CC2=CC=C1 Z992716868 [0,0,0,0,2,0|0,0,2]=4 56 B15R2.79765 NCC(O)C1=C2C=CC=CC2=CC=C1 Z336086540 [0,0,0,0,2,0|0,0,0]=2