0 B18R3.36582 c1ccc(c(c1)NCC2=NCCN2)C3CC3 34a_100011236190_100000737910 [0,0,0,0,0,0|1,0,0]=1 1 B18R3.36582 c1ccc(c(c1)NCC2CCCC2)C3CC3 34a_100011236190_100000740388 [0,0,0,0,0,0|3,0,1]=4 2 B18R3.36582 c1ccc(c(c1)NCC2OCCO2)C3CC3 34a_100011236190_100000755774 [0,0,0,0,0,0|3,0,1]=4 3 B18R3.36582 c1ccc(c(c1)NCc2c[nH]cn2)C3CC3 34a_100011236190_100000707719 [0,0,0,0,0,0|3,0,1]=4 4 B18R3.36582 c1ccc(c(c1)NCc2cc[nH]n2)C3CC3 207a_100011236190_100000738523 [0,0,0,0,0,0|3,0,1]=4 5 B18R3.36582 c1ccc(c(c1)NCc2ccn[nH]2)C3CC3 34a_100011236190_100000728653 [0,0,0,0,0,0|3,0,1]=4 6 B18R3.36582 c1ccc(c(c1)NCc2ccon2)C3CC3 34a_100011236190_100000234950 [0,0,0,0,0,0|3,0,1]=4 7 B18R3.36582 c1ccc(c(c1)NCc2cnc[nH]2)C3CC3 207a_100011236190_100000742939 [0,0,0,0,0,0|3,0,1]=4 8 B18R3.36582 c1ccc(c(c1)NCc2cscn2)C3CC3 207a_100011236190_100000743575 [0,0,0,0,0,0|3,0,1]=4 9 B18R3.36582 c1ccc(c(c1)NCc2cscn2)C3CC3 270302a_100011236190_100000743575 [0,0,0,0,0,0|3,0,1]=4 10 B18R3.36582 c1ccc(c(c1)NCc2cscn2)C3CC3 34a_100011236190_100000205941 [0,0,0,0,0,0|3,0,1]=4 11 B18R3.36582 c1ccc(c(c1)NCc2ncc[nH]2)C3CC3 207a_100011236190_100000743867 [0,0,0,0,0,0|1,0,2]=3 12 B18R3.36582 c1ccc(c(c1)NCc2ncc[nH]2)C3CC3 34a_100011236190_100016991755 [0,0,0,0,0,0|1,0,2]=3 13 B18R3.36582 c1ccc(c(c1)NCc2ncco2)C3CC3 34a_100011236190_103436540062 [0,0,0,0,0,0|2,0,2]=4 14 B18R3.36582 c1ccc(c(c1)NCc2nccs2)C3CC3 207a_100011236190_100000750902 [0,0,0,0,0,0|2,0,2]=4 15 B18R3.36582 c1ccc(c(c1)NCc2nccs2)C3CC3 270302a_100011236190_100000750902 [0,0,0,0,0,0|2,0,2]=4 16 B18R3.36582 c1ccc(c(c1)NCc2nccs2)C3CC3 34a_100011236190_100015184050 [0,0,0,0,0,0|2,0,2]=4 17 B18R3.36582 c1ccc(c(c1)NCc2ncon2)C3CC3 34a_100011236190_100000233494 [0,0,0,0,0,0|2,0,2]=4 18 B18R3.36582 c1ccc(c(c1)NCc2nnn[nH]2)C3CC3 34a_100011236190_100000765167 [0,0,0,0,0,0|3,0,0]=3 19 B18R3.36582 c1ccc(c(c1)SCC2=NCCN2)C3CC3 62a_100000737910_100009819954 [0,0,0,0,0,0|0,1,0]=1 20 B18R3.36582 c1ccc(c(c1)SCC2=NCCN2)C3CC3 62a_100009819954_100000737910 [0,0,0,0,0,0|0,1,0]=1 21 B18R3.36582 c1ccc(c(c1)SCC2CCCC2)C3CC3 62a_100000740388_100009819954 [0,0,0,0,0,0|2,1,1]=4 22 B18R3.36582 c1ccc(c(c1)SCC2CCCC2)C3CC3 62a_100009819954_100000740388 [0,0,0,0,0,0|2,1,1]=4 23 B18R3.36582 c1ccc(c(c1)SCC2CCCO2)C3CC3 62a_100000203698_100009819954 [0,0,0,0,0,0|2,1,1]=4 24 B18R3.36582 c1ccc(c(c1)SCC2CCCO2)C3CC3 62a_100009819954_100000203698 [0,0,0,0,0,0|2,1,1]=4 25 B18R3.36582 c1ccc(c(c1)SCC2OCCO2)C3CC3 62a_100000755774_100009819954 [0,0,0,0,0,0|2,1,1]=4 26 B18R3.36582 c1ccc(c(c1)SCC2OCCO2)C3CC3 62a_100009819954_100000755774 [0,0,0,0,0,0|2,1,1]=4 27 B18R3.36582 c1ccc(c(c1)SCc2c[nH]cn2)C3CC3 62a_100000707719_100009819954 [0,0,0,0,0,0|2,1,1]=4 28 B18R3.36582 c1ccc(c(c1)SCc2c[nH]cn2)C3CC3 62a_100009819954_100000707719 [0,0,0,0,0,0|2,1,1]=4 29 B18R3.36582 c1ccc(c(c1)SCc2ccn[nH]2)C3CC3 62a_100000728653_100009819954 [0,0,0,0,0,0|2,1,1]=4 30 B18R3.36582 c1ccc(c(c1)SCc2ccn[nH]2)C3CC3 62a_100009819954_100000728653 [0,0,0,0,0,0|2,1,1]=4 31 B18R3.36582 c1ccc(c(c1)SCc2ccon2)C3CC3 62a_100000234950_100009819954 [0,0,0,0,0,0|2,1,1]=4 32 B18R3.36582 c1ccc(c(c1)SCc2ccon2)C3CC3 62a_100009819954_100000234950 [0,0,0,0,0,0|2,1,1]=4 33 B18R3.36582 c1ccc(c(c1)SCc2cscn2)C3CC3 62a_100000205941_100009819954 [0,0,0,0,0,0|2,1,1]=4 34 B18R3.36582 c1ccc(c(c1)SCc2cscn2)C3CC3 62a_100009819954_100000205941 [0,0,0,0,0,0|2,1,1]=4 35 B18R3.36582 c1ccc(c(c1)SCc2ncc[nH]2)C3CC3 62a_100009819954_100016991755 [0,0,0,0,0,0|0,1,2]=3 36 B18R3.36582 c1ccc(c(c1)SCc2ncc[nH]2)C3CC3 62a_100016991755_100009819954 [0,0,0,0,0,0|0,1,2]=3 37 B18R3.36582 c1ccc(c(c1)SCc2ncco2)C3CC3 62a_100009819954_103436540062 [0,0,0,0,0,0|1,1,2]=4 38 B18R3.36582 c1ccc(c(c1)SCc2ncco2)C3CC3 62a_103436540062_100009819954 [0,0,0,0,0,0|1,1,2]=4 39 B18R3.36582 c1ccc(c(c1)SCc2nccs2)C3CC3 62a_100009819954_100015184050 [0,0,0,0,0,0|1,1,2]=4 40 B18R3.36582 c1ccc(c(c1)SCc2nccs2)C3CC3 62a_100015184050_100009819954 [0,0,0,0,0,0|1,1,2]=4 41 B18R3.36582 c1ccc(c(c1)SCc2ncon2)C3CC3 62a_100000233494_100009819954 [0,0,0,0,0,0|1,1,2]=4 42 B18R3.36582 c1ccc(c(c1)SCc2ncon2)C3CC3 62a_100009819954_100000233494 [0,0,0,0,0,0|1,1,2]=4 43 B18R3.36582 c1ccc(c(c1)SCc2nnn[nH]2)C3CC3 62a_100000765167_100009819954 [0,0,0,0,0,0|2,1,0]=3 44 B18R3.36582 c1ccc(c(c1)SCc2nnn[nH]2)C3CC3 62a_100009819954_100000765167 [0,0,0,0,0,0|2,1,0]=3 45 B18R3.36582 c1cnc(c(c1)C2CC2)SCC3=NCCN3 62a_100000737910_100009851976 [0,0,0,0,0,0|1,1,0]=2 46 B18R3.36582 c1cnc(c(c1)C2CC2)SCC3=NCCN3 62a_200009850273_100000737910 [0,0,0,0,0,0|1,1,0]=2 47 B18R3.36582 c1cnc(c(c1)C2CC2)SCc3ncc[nH]3 62a_100016991755_100009851976 [0,0,0,0,0,0|1,1,2]=4 48 B18R3.36582 c1cnc(c(c1)C2CC2)SCc3ncc[nH]3 62a_200009850273_100016991755 [0,0,0,0,0,0|1,1,2]=4 49 B18R3.36582 c1cnc(c(c1)C2CC2)SCc3nnn[nH]3 62a_100000765167_100009851976 [0,0,0,0,0,0|3,1,0]=4 50 B18R3.36582 c1cnc(c(c1)C2CC2)SCc3nnn[nH]3 62a_200009850273_100000765167 [0,0,0,0,0,0|3,1,0]=4 51 B18R3.36582 c1ncc(c(n1)C2CC2)SCC3=NCCN3 62a_100000737910_200009889426 [0,0,0,0,0,0|2,1,0]=3 52 B18R3.36582 c1ncc(c(n1)C2CC2)SCC3=NCCN3 62a_200009889426_100000737910 [0,0,0,0,0,0|2,1,0]=3 53 B19R3.8812 Cn1ccnc1CNc2ccccc2C3CC3 207a_100011236190_100000748660 [0,1,0,0,0,0|1,0,2]=4 54 B19R3.8812 Cn1ccnc1CNc2ccccc2C3CC3 34a_100011236190_100000700302 [0,1,0,0,0,0|1,0,2]=4 55 B19R3.8812 Cn1ccnc1CSc2ccccc2C3CC3 62a_100000700302_100009819954 [0,1,0,0,0,0|0,1,2]=4 56 B19R3.8812 Cn1ccnc1CSc2ccccc2C3CC3 62a_100009819954_100000700302 [0,1,0,0,0,0|0,1,2]=4 57 B19R3.51001 Cc1c[nH]c(n1)CNc2ccccc2C3CC3 207a_100011236190_100000082322 [0,1,0,0,0,0|1,0,2]=4 58 B19R3.51001 O=c1[nH]nc([nH]1)CSc2ccccc2C3CC3 62a_100009819954_100000754189 [0,1,0,0,0,0|1,1,1]=4 59 B19R3.59890 NC1(CC1)c2ccccc2SCC3=NCCN3 62a_100000737910_200000691159 [0,1,0,0,0,0|0,1,0]=2 60 B19R3.59890 NC1(CC1)c2ccccc2SCC3=NCCN3 62a_200000691159_100000737910 [0,1,0,0,0,0|0,1,0]=2 61 B19R3.59890 NC1(CC1)c2ccccc2SCc3ncc[nH]3 62a_100016991755_200000691159 [0,1,0,0,0,0|0,1,2]=4 62 B19R3.59890 NC1(CC1)c2ccccc2SCc3ncc[nH]3 62a_200000691159_100016991755 [0,1,0,0,0,0|0,1,2]=4 63 B19R3.59890 NC1(CC1)c2ccccc2SCc3nnn[nH]3 62a_100000765167_200000691159 [0,1,0,0,0,0|2,1,0]=4 64 B19R3.59890 NC1(CC1)c2ccccc2SCc3nnn[nH]3 62a_200000691159_100000765167 [0,1,0,0,0,0|2,1,0]=4 65 B19R3.60243 Ic1ccc(c(c1)C2CC2)NCC3=NCCN3 34a_100010997530_100000737910 [0,1,0,0,0,0|1,0,0]=2 66 B19R3.60243 Ic1ccc(c(c1)C2CC2)NCC3=NCCN3 7a_100010997530_100000737910 [0,1,0,0,0,0|1,0,0]=2 67 B19R3.60243 Ic1ccc(c(c1)C2CC2)NCc3ncc[nH]3 207a_100010997530_100000743867 [0,1,0,0,0,0|1,0,2]=4 68 B19R3.60243 Ic1ccc(c(c1)C2CC2)NCc3ncc[nH]3 34a_100010997530_100016991755 [0,1,0,0,0,0|1,0,2]=4 69 B19R3.60243 Ic1ccc(c(c1)C2CC2)NCc3ncc[nH]3 7a_100010997530_100000753453 [0,1,0,0,0,0|1,0,2]=4 70 B19R3.60243 Ic1ccc(c(c1)C2CC2)NCc3nnn[nH]3 34a_100010997530_100000765167 [0,1,0,0,0,0|3,0,0]=4 71 B19R3.60243 Ic1ccc(c(c1)C2CC2)NCc3nnn[nH]3 7a_100010997530_100000765167 [0,1,0,0,0,0|3,0,0]=4 72 B19R3.60243 Nc1ccc(c(c1)C2CC2)SCC3=NCCN3 62a_100000737910_100010281208 [0,1,0,0,0,0|0,1,0]=2 73 B19R3.60243 Nc1ccc(c(c1)C2CC2)SCC3=NCCN3 62a_100010281208_100000737910 [0,1,0,0,0,0|0,1,0]=2 74 B19R3.60243 Nc1ccc(c(c1)C2CC2)SCc3ncc[nH]3 62a_100010281208_100016991755 [0,1,0,0,0,0|0,1,2]=4 75 B19R3.60243 Nc1ccc(c(c1)C2CC2)SCc3ncc[nH]3 62a_100016991755_100010281208 [0,1,0,0,0,0|0,1,2]=4 76 B19R3.60243 Nc1ccc(c(c1)C2CC2)SCc3nnn[nH]3 62a_100000765167_100010281208 [0,1,0,0,0,0|2,1,0]=4 77 B19R3.60243 Nc1ccc(c(c1)C2CC2)SCc3nnn[nH]3 62a_100010281208_100000765167 [0,1,0,0,0,0|2,1,0]=4 78 B19R3.182531 Fc1cccc(c1C2CC2)NCC3=NCCN3 34a_100114072990_100000737910 [0,1,0,0,0,0|1,0,0]=2 79 B19R3.182531 Fc1cccc(c1C2CC2)NCC3=NCCN3 7a_100114072990_100000737910 [0,1,0,0,0,0|1,0,0]=2 80 B19R3.182531 Fc1cccc(c1C2CC2)NCc3ncc[nH]3 207a_100114072990_100000743867 [0,1,0,0,0,0|1,0,2]=4 81 B19R3.182531 Fc1cccc(c1C2CC2)NCc3ncc[nH]3 34a_100114072990_100016991755 [0,1,0,0,0,0|1,0,2]=4 82 B19R3.182531 Fc1cccc(c1C2CC2)NCc3ncc[nH]3 7a_100114072990_100000753453 [0,1,0,0,0,0|1,0,2]=4 83 B19R3.182531 Fc1cccc(c1C2CC2)NCc3nnn[nH]3 34a_100114072990_100000765167 [0,1,0,0,0,0|3,0,0]=4 84 B19R3.182531 Fc1cccc(c1C2CC2)NCc3nnn[nH]3 7a_100114072990_100000765167 [0,1,0,0,0,0|3,0,0]=4 85 B19R3.182531 Fc1cccc(c1C2CC2)SCC3=NCCN3 62a_100000737910_100010780639 [0,1,0,0,0,0|0,1,0]=2 86 B19R3.182531 Fc1cccc(c1C2CC2)SCC3=NCCN3 62a_100010780639_100000737910 [0,1,0,0,0,0|0,1,0]=2 87 B19R3.182531 Fc1cccc(c1C2CC2)SCc3ncc[nH]3 62a_100010780639_100016991755 [0,1,0,0,0,0|0,1,2]=4 88 B19R3.182531 Fc1cccc(c1C2CC2)SCc3ncc[nH]3 62a_100016991755_100010780639 [0,1,0,0,0,0|0,1,2]=4 89 B19R3.182531 Fc1cccc(c1C2CC2)SCc3nnn[nH]3 62a_100000765167_100010780639 [0,1,0,0,0,0|2,1,0]=4 90 B19R3.182531 Fc1cccc(c1C2CC2)SCc3nnn[nH]3 62a_100010780639_100000765167 [0,1,0,0,0,0|2,1,0]=4 91 B19R3.202647 O=C(Cc1nnn[nH]1)c2ccccc2C3CC3 1458a_100011688854_100000765167 [0,1,0,0,0,0|3,0,0]=4 92 B19R3.327209 Brc1cccc(c1OCC2=NCCN2)C3CC3 34a_100010664954_100000737910 [0,1,0,0,0,0|0,0,0]=1 93 B19R3.327209 Brc1cccc(c1OCC2=NCCN2)C3CC3 7a_100010664954_100000737910 [0,1,0,0,0,0|0,0,0]=1 94 B19R3.327209 Brc1cccc(c1OCC2CCCC2)C3CC3 34a_100010664954_100000740388 [0,1,0,0,0,0|2,0,1]=4 95 B19R3.327209 Brc1cccc(c1OCC2CCCC2)C3CC3 7a_100010664954_100000740388 [0,1,0,0,0,0|2,0,1]=4 96 B19R3.327209 Brc1cccc(c1OCC2CCCO2)C3CC3 7a_100010664954_100000203698 [0,1,0,0,0,0|2,0,1]=4 97 B19R3.327209 Brc1cccc(c1OCC2OCCO2)C3CC3 34a_100010664954_100000755774 [0,1,0,0,0,0|2,0,1]=4 98 B19R3.327209 Brc1cccc(c1OCC2OCCO2)C3CC3 7a_100010664954_100000755774 [0,1,0,0,0,0|2,0,1]=4 99 B19R3.327209 Brc1cccc(c1OCc2c[nH]cn2)C3CC3 34a_100010664954_100000707719 [0,1,0,0,0,0|2,0,1]=4 100 B19R3.327209 Brc1cccc(c1OCc2ccn[nH]2)C3CC3 34a_100010664954_100000728653 [0,1,0,0,0,0|2,0,1]=4 101 B19R3.327209 Brc1cccc(c1OCc2ccn[nH]2)C3CC3 7a_100010664954_100000728653 [0,1,0,0,0,0|2,0,1]=4 102 B19R3.327209 Brc1cccc(c1OCc2ccon2)C3CC3 34a_100010664954_100000234950 [0,1,0,0,0,0|2,0,1]=4 103 B19R3.327209 Brc1cccc(c1OCc2ccon2)C3CC3 7a_100010664954_100000234950 [0,1,0,0,0,0|2,0,1]=4 104 B19R3.327209 Brc1cccc(c1OCc2cscn2)C3CC3 34a_100010664954_100000205941 [0,1,0,0,0,0|2,0,1]=4 105 B19R3.327209 Brc1cccc(c1OCc2cscn2)C3CC3 7a_100010664954_100000205941 [0,1,0,0,0,0|2,0,1]=4 106 B19R3.327209 Brc1cccc(c1OCc2ncc[nH]2)C3CC3 34a_100010664954_100016991755 [0,1,0,0,0,0|0,0,2]=3 107 B19R3.327209 Brc1cccc(c1OCc2ncc[nH]2)C3CC3 7a_100010664954_100000753453 [0,1,0,0,0,0|0,0,2]=3 108 B19R3.327209 Brc1cccc(c1OCc2ncco2)C3CC3 34a_100010664954_103436540062 [0,1,0,0,0,0|1,0,2]=4 109 B19R3.327209 Brc1cccc(c1OCc2ncco2)C3CC3 7a_100010664954_103436540062 [0,1,0,0,0,0|1,0,2]=4 110 B19R3.327209 Brc1cccc(c1OCc2nccs2)C3CC3 34a_100010664954_100015184050 [0,1,0,0,0,0|1,0,2]=4 111 B19R3.327209 Brc1cccc(c1OCc2nccs2)C3CC3 7a_100010664954_100015184050 [0,1,0,0,0,0|1,0,2]=4 112 B19R3.327209 Brc1cccc(c1OCc2ncon2)C3CC3 34a_100010664954_100000233494 [0,1,0,0,0,0|1,0,2]=4 113 B19R3.327209 Brc1cccc(c1OCc2nnn[nH]2)C3CC3 34a_100010664954_100000765167 [0,1,0,0,0,0|2,0,0]=3 114 B19R3.327209 Brc1cccc(c1OCc2nnn[nH]2)C3CC3 7a_100010664954_100000765167 [0,1,0,0,0,0|2,0,0]=3 115 B19R3.327209 Fc1cccc(c1OCC2=NCCN2)C3CC3 34a_100010673447_100000737910 [0,1,0,0,0,0|0,0,0]=1 116 B19R3.327209 Fc1cccc(c1OCC2=NCCN2)C3CC3 7a_100010673447_100000737910 [0,1,0,0,0,0|0,0,0]=1 117 B19R3.327209 Fc1cccc(c1OCC2CCCC2)C3CC3 34a_100010673447_100000740388 [0,1,0,0,0,0|2,0,1]=4 118 B19R3.327209 Fc1cccc(c1OCC2CCCC2)C3CC3 7a_100010673447_100000740388 [0,1,0,0,0,0|2,0,1]=4 119 B19R3.327209 Fc1cccc(c1OCC2CCCO2)C3CC3 7a_100010673447_100000203698 [0,1,0,0,0,0|2,0,1]=4 120 B19R3.327209 Fc1cccc(c1OCC2OCCO2)C3CC3 34a_100010673447_100000755774 [0,1,0,0,0,0|2,0,1]=4 121 B19R3.327209 Fc1cccc(c1OCC2OCCO2)C3CC3 7a_100010673447_100000755774 [0,1,0,0,0,0|2,0,1]=4 122 B19R3.327209 Fc1cccc(c1OCc2c[nH]cn2)C3CC3 34a_100010673447_100000707719 [0,1,0,0,0,0|2,0,1]=4 123 B19R3.327209 Fc1cccc(c1OCc2ccn[nH]2)C3CC3 34a_100010673447_100000728653 [0,1,0,0,0,0|2,0,1]=4 124 B19R3.327209 Fc1cccc(c1OCc2ccn[nH]2)C3CC3 7a_100010673447_100000728653 [0,1,0,0,0,0|2,0,1]=4 125 B19R3.327209 Fc1cccc(c1OCc2ccon2)C3CC3 34a_100010673447_100000234950 [0,1,0,0,0,0|2,0,1]=4 126 B19R3.327209 Fc1cccc(c1OCc2ccon2)C3CC3 7a_100010673447_100000234950 [0,1,0,0,0,0|2,0,1]=4 127 B19R3.327209 Fc1cccc(c1OCc2cscn2)C3CC3 34a_100010673447_100000205941 [0,1,0,0,0,0|2,0,1]=4 128 B19R3.327209 Fc1cccc(c1OCc2cscn2)C3CC3 7a_100010673447_100000205941 [0,1,0,0,0,0|2,0,1]=4 129 B19R3.327209 Fc1cccc(c1OCc2ncc[nH]2)C3CC3 34a_100010673447_100016991755 [0,1,0,0,0,0|0,0,2]=3 130 B19R3.327209 Fc1cccc(c1OCc2ncc[nH]2)C3CC3 7a_100010673447_100000753453 [0,1,0,0,0,0|0,0,2]=3 131 B19R3.327209 Fc1cccc(c1OCc2ncco2)C3CC3 34a_100010673447_103436540062 [0,1,0,0,0,0|1,0,2]=4 132 B19R3.327209 Fc1cccc(c1OCc2ncco2)C3CC3 7a_100010673447_103436540062 [0,1,0,0,0,0|1,0,2]=4 133 B19R3.327209 Fc1cccc(c1OCc2nccs2)C3CC3 34a_100010673447_100015184050 [0,1,0,0,0,0|1,0,2]=4 134 B19R3.327209 Fc1cccc(c1OCc2nccs2)C3CC3 7a_100010673447_100015184050 [0,1,0,0,0,0|1,0,2]=4 135 B19R3.327209 Fc1cccc(c1OCc2ncon2)C3CC3 34a_100010673447_100000233494 [0,1,0,0,0,0|1,0,2]=4 136 B19R3.327209 Fc1cccc(c1OCc2nnn[nH]2)C3CC3 34a_100010673447_100000765167 [0,1,0,0,0,0|2,0,0]=3 137 B19R3.327209 Fc1cccc(c1OCc2nnn[nH]2)C3CC3 7a_100010673447_100000765167 [0,1,0,0,0,0|2,0,0]=3 138 B19R3.541241 Fc1ccc(c(c1)NCC2=NCCN2)C3CC3 34a_102515433052_100000737910 [0,1,0,0,0,0|1,0,0]=2 139 B19R3.541241 Fc1ccc(c(c1)NCC2=NCCN2)C3CC3 7a_102515433052_100000737910 [0,1,0,0,0,0|1,0,0]=2 140 B19R3.541241 Fc1ccc(c(c1)NCc2ncc[nH]2)C3CC3 207a_102515433052_100000743867 [0,1,0,0,0,0|1,0,2]=4 141 B19R3.541241 Fc1ccc(c(c1)NCc2ncc[nH]2)C3CC3 34a_102515433052_100016991755 [0,1,0,0,0,0|1,0,2]=4 142 B19R3.541241 Fc1ccc(c(c1)NCc2ncc[nH]2)C3CC3 7a_102515433052_100000753453 [0,1,0,0,0,0|1,0,2]=4 143 B19R3.541241 Fc1ccc(c(c1)NCc2nnn[nH]2)C3CC3 34a_102515433052_100000765167 [0,1,0,0,0,0|3,0,0]=4 144 B19R3.541241 Fc1ccc(c(c1)NCc2nnn[nH]2)C3CC3 7a_102515433052_100000765167 [0,1,0,0,0,0|3,0,0]=4 145 B17R2.4343 BrCCc1ccccc1OCC2=NCCN2 34a_100000722297_100000737910 [0,0,1,0,0,0|1,0,0]=2 146 B17R2.4343 BrCCc1ccccc1OCC2=NCCN2 7a_100000722297_100000737910 [0,0,1,0,0,0|1,0,0]=2 147 B17R2.4343 BrCCc1ccccc1OCc2ncc[nH]2 34a_100000722297_100016991755 [0,0,1,0,0,0|1,0,2]=4 148 B17R2.4343 BrCCc1ccccc1OCc2ncc[nH]2 7a_100000722297_100000753453 [0,0,1,0,0,0|1,0,2]=4 149 B17R2.4343 BrCCc1ccccc1OCc2nnn[nH]2 34a_100000722297_100000765167 [0,0,1,0,0,0|3,0,0]=4 150 B17R2.4343 BrCCc1ccccc1OCc2nnn[nH]2 7a_100000722297_100000765167 [0,0,1,0,0,0|3,0,0]=4 151 B17R2.4343 C/C=C/c1ccccc1OCC2=NCCN2 34a_200000189419_100000737910 [0,0,1,0,0,0|0,0,2]=3 152 B17R2.4343 C/C=C/c1ccccc1OCC2=NCCN2 7a_200000189419_100000737910 [0,0,1,0,0,0|0,0,2]=3 153 B17R2.4343 C=CCc1ccccc1NCC2=NCCN2 34a_200138433279_100000737910 [0,0,1,0,0,0|1,0,2]=4 154 B17R2.4343 C=CCc1ccccc1OCC2=NCCN2 34a_100000211836_100000737910 [0,0,1,0,0,0|0,0,2]=3 155 B17R2.4343 C=CCc1ccccc1OCC2=NCCN2 7a_100000211836_100000737910 [0,0,1,0,0,0|0,0,2]=3 156 B17R2.4343 C=CCc1ccccc1SCC2=NCCN2 62a_100000737910_100009828059 [0,0,1,0,0,0|0,1,2]=4 157 B17R2.4343 C=CCc1ccccc1SCC2=NCCN2 62a_100009828059_100000737910 [0,0,1,0,0,0|0,1,2]=4 158 B17R2.4343 CCCc1ccccc1NCC2=NCCN2 34a_100000737634_100000737910 [0,0,1,0,0,0|1,0,0]=2 159 B17R2.4343 CCCc1ccccc1NCC2=NCCN2 7a_100000737634_100000737910 [0,0,1,0,0,0|1,0,0]=2 160 B17R2.4343 CCCc1ccccc1NCc2ncc[nH]2 207a_100000737634_100000743867 [0,0,1,0,0,0|1,0,2]=4 161 B17R2.4343 CCCc1ccccc1NCc2ncc[nH]2 2230a_100000737634_100016991755 [0,0,1,0,0,0|1,0,2]=4 162 B17R2.4343 CCCc1ccccc1NCc2ncc[nH]2 34a_100000737634_100016991755 [0,0,1,0,0,0|1,0,2]=4 163 B17R2.4343 CCCc1ccccc1NCc2ncc[nH]2 7a_100000737634_100000753453 [0,0,1,0,0,0|1,0,2]=4 164 B17R2.4343 CCCc1ccccc1NCc2nnn[nH]2 34a_100000737634_100000765167 [0,0,1,0,0,0|3,0,0]=4 165 B17R2.4343 CCCc1ccccc1NCc2nnn[nH]2 7a_100000737634_100000765167 [0,0,1,0,0,0|3,0,0]=4 166 B17R2.4343 CCCc1ccccc1OCC2=NCCN2 34a_100011217252_100000737910 [0,0,1,0,0,0|0,0,0]=1 167 B17R2.4343 CCCc1ccccc1OCC2=NCCN2 7a_100011217252_100000737910 [0,0,1,0,0,0|0,0,0]=1 168 B17R2.4343 CCCc1ccccc1OCC2CCCC2 34a_100011217252_100000740388 [0,0,1,0,0,0|2,0,1]=4 169 B17R2.4343 CCCc1ccccc1OCC2CCCC2 7a_100011217252_100000740388 [0,0,1,0,0,0|2,0,1]=4 170 B17R2.4343 CCCc1ccccc1OCC2CCCO2 7a_100011217252_100000203698 [0,0,1,0,0,0|2,0,1]=4 171 B17R2.4343 CCCc1ccccc1OCC2OCCO2 34a_100011217252_100000755774 [0,0,1,0,0,0|2,0,1]=4 172 B17R2.4343 CCCc1ccccc1OCC2OCCO2 7a_100011217252_100000755774 [0,0,1,0,0,0|2,0,1]=4 173 B17R2.4343 CCCc1ccccc1OCc2c[nH]cn2 34a_100011217252_100000707719 [0,0,1,0,0,0|2,0,1]=4 174 B17R2.4343 CCCc1ccccc1OCc2ccn[nH]2 34a_100011217252_100000728653 [0,0,1,0,0,0|2,0,1]=4 175 B17R2.4343 CCCc1ccccc1OCc2ccn[nH]2 7a_100011217252_100000728653 [0,0,1,0,0,0|2,0,1]=4 176 B17R2.4343 CCCc1ccccc1OCc2ccon2 34a_100011217252_100000234950 [0,0,1,0,0,0|2,0,1]=4 177 B17R2.4343 CCCc1ccccc1OCc2ccon2 7a_100011217252_100000234950 [0,0,1,0,0,0|2,0,1]=4 178 B17R2.4343 CCCc1ccccc1OCc2cscn2 34a_100011217252_100000205941 [0,0,1,0,0,0|2,0,1]=4 179 B17R2.4343 CCCc1ccccc1OCc2cscn2 7a_100011217252_100000205941 [0,0,1,0,0,0|2,0,1]=4 180 B17R2.4343 CCCc1ccccc1OCc2ncc[nH]2 34a_100011217252_100016991755 [0,0,1,0,0,0|0,0,2]=3 181 B17R2.4343 CCCc1ccccc1OCc2ncc[nH]2 7a_100011217252_100000753453 [0,0,1,0,0,0|0,0,2]=3 182 B17R2.4343 CCCc1ccccc1OCc2ncco2 34a_100011217252_103436540062 [0,0,1,0,0,0|1,0,2]=4 183 B17R2.4343 CCCc1ccccc1OCc2ncco2 7a_100011217252_103436540062 [0,0,1,0,0,0|1,0,2]=4 184 B17R2.4343 CCCc1ccccc1OCc2nccs2 34a_100011217252_100015184050 [0,0,1,0,0,0|1,0,2]=4 185 B17R2.4343 CCCc1ccccc1OCc2nccs2 7a_100011217252_100015184050 [0,0,1,0,0,0|1,0,2]=4 186 B17R2.4343 CCCc1ccccc1OCc2ncon2 34a_100011217252_100000233494 [0,0,1,0,0,0|1,0,2]=4 187 B17R2.4343 CCCc1ccccc1OCc2nnn[nH]2 34a_100011217252_100000765167 [0,0,1,0,0,0|2,0,0]=3 188 B17R2.4343 CCCc1ccccc1OCc2nnn[nH]2 7a_100011217252_100000765167 [0,0,1,0,0,0|2,0,0]=3 189 B17R2.4343 CCCc1ncncc1SCC2=NCCN2 62a_100000737910_100009816987 [0,0,1,0,0,0|2,1,0]=4 190 B17R2.4343 CCCc1ncncc1SCC2=NCCN2 62a_100009816987_100000737910 [0,0,1,0,0,0|2,1,0]=4 191 B17R2.4343 CCNc1ccccc1OCC2=NCCN2 34a_103624766699_100000737910 [0,0,1,0,0,0|1,0,0]=2 192 B17R2.4343 CCNc1ccccc1OCC2=NCCN2 7a_103624766699_100000737910 [0,0,1,0,0,0|1,0,0]=2 193 B17R2.4343 CCNc1ccccc1OCc2ncc[nH]2 34a_103624766699_100016991755 [0,0,1,0,0,0|1,0,2]=4 194 B17R2.4343 CCNc1ccccc1OCc2ncc[nH]2 7a_103624766699_100000753453 [0,0,1,0,0,0|1,0,2]=4 195 B17R2.4343 CCNc1ccccc1OCc2nnn[nH]2 34a_103624766699_100000765167 [0,0,1,0,0,0|3,0,0]=4 196 B17R2.4343 CCNc1ccccc1OCc2nnn[nH]2 7a_103624766699_100000765167 [0,0,1,0,0,0|3,0,0]=4 197 B17R2.4343 CCNc1ccccc1SCC2=NCCN2 62a_100000737910_114873767003 [0,0,1,0,0,0|1,1,0]=3 198 B17R2.4343 CCNc1ccccc1SCC2=NCCN2 62a_114873767003_100000737910 [0,0,1,0,0,0|1,1,0]=3 199 B17R2.4343 CCOc1ccccc1NCC2=NCCN2 34a_100000211218_100000737910 [0,0,1,0,0,0|2,0,0]=3 200 B17R2.4343 CCOc1ccccc1OCC2=NCCN2 34a_100000211404_100000737910 [0,0,1,0,0,0|1,0,0]=2 201 B17R2.4343 CCOc1ccccc1OCC2=NCCN2 7a_100000211404_100000737910 [0,0,1,0,0,0|1,0,0]=2 202 B17R2.4343 CCOc1ccccc1OCc2ncc[nH]2 34a_100000211404_100016991755 [0,0,1,0,0,0|1,0,2]=4 203 B17R2.4343 CCOc1ccccc1OCc2ncc[nH]2 7a_100000211404_100000753453 [0,0,1,0,0,0|1,0,2]=4 204 B17R2.4343 CCOc1ccccc1OCc2nnn[nH]2 34a_100000211404_100000765167 [0,0,1,0,0,0|3,0,0]=4 205 B17R2.4343 CCOc1ccccc1OCc2nnn[nH]2 7a_100000211404_100000765167 [0,0,1,0,0,0|3,0,0]=4 206 B17R2.4343 CCOc1ccccc1SCC2=NCCN2 62a_100000230754_100000737910 [0,0,1,0,0,0|1,1,0]=3 207 B17R2.4343 CCOc1ccccc1SCC2=NCCN2 62a_100000737910_100000230754 [0,0,1,0,0,0|1,1,0]=3 208 B17R2.4343 CCOc1cccnc1SCC2=NCCN2 62a_100000737910_100011597540 [0,0,1,0,0,0|2,1,0]=4 209 B17R2.4343 CCOc1cccnc1SCC2=NCCN2 62a_100011597540_100000737910 [0,0,1,0,0,0|2,1,0]=4 210 B17R2.4343 CCOc1ncccc1OCC2=NCCN2 34a_100011998697_100000737910 [0,0,1,0,0,0|2,0,0]=3 211 B17R2.4343 CCOc1ncccc1SCC2=NCCN2 62a_100000737910_100011465154 [0,0,1,0,0,0|2,1,0]=4 212 B17R2.4343 CCOc1ncccc1SCC2=NCCN2 62a_100011465154_100000737910 [0,0,1,0,0,0|2,1,0]=4 213 B17R2.4343 CCSc1ccccc1NCC2=NCCN2 34a_100011223125_100000737910 [0,0,1,0,0,0|2,0,0]=3 214 B17R2.4343 CCSc1ccccc1SCC2=NCCN2 62a_100000230856_100000737910 [0,0,1,0,0,0|1,1,0]=3 215 B17R2.4343 CCSc1ccccc1SCC2=NCCN2 62a_100000737910_100000230856 [0,0,1,0,0,0|1,1,0]=3 216 B17R2.4343 CNCc1ccccc1OCC2=NCCN2 34a_100015189988_100000737910 [0,0,1,0,0,0|1,0,0]=2 217 B17R2.4343 CNCc1ccccc1OCc2ncc[nH]2 34a_100015189988_100016991755 [0,0,1,0,0,0|1,0,2]=4 218 B17R2.4343 CNCc1ccccc1OCc2nnn[nH]2 34a_100015189988_100000765167 [0,0,1,0,0,0|3,0,0]=4 219 B17R2.4343 CNCc1ccccc1SCC2=NCCN2 62a_100000184654_100000737910 [0,0,1,0,0,0|1,1,0]=3 220 B17R2.4343 CNCc1ccccc1SCC2=NCCN2 62a_100000737910_100000184654 [0,0,1,0,0,0|1,1,0]=3 221 B17R2.4343 CNCc1cccnc1SCC2=NCCN2 62a_100000737910_103496529121 [0,0,1,0,0,0|2,1,0]=4 222 B17R2.4343 CNCc1cccnc1SCC2=NCCN2 62a_103496529121_100000737910 [0,0,1,0,0,0|2,1,0]=4 223 B17R2.4343 COCc1ccccc1OCC2=NCCN2 34a_100011488565_100000737910 [0,0,1,0,0,0|1,0,0]=2 224 B17R2.4343 COCc1ccccc1OCC2=NCCN2 7a_100011488565_100000737910 [0,0,1,0,0,0|1,0,0]=2 225 B17R2.4343 COCc1ccccc1OCc2ncc[nH]2 34a_100011488565_100016991755 [0,0,1,0,0,0|1,0,2]=4 226 B17R2.4343 COCc1ccccc1OCc2ncc[nH]2 7a_100011488565_100000753453 [0,0,1,0,0,0|1,0,2]=4 227 B17R2.4343 COCc1ccccc1OCc2nnn[nH]2 34a_100011488565_100000765167 [0,0,1,0,0,0|3,0,0]=4 228 B17R2.4343 COCc1ccccc1OCc2nnn[nH]2 7a_100011488565_100000765167 [0,0,1,0,0,0|3,0,0]=4 229 B17R2.4343 COCc1ccccc1SCC2=NCCN2 62a_100000737910_100011493684 [0,0,1,0,0,0|1,1,0]=3 230 B17R2.4343 COCc1ccccc1SCC2=NCCN2 62a_100011493684_100000737910 [0,0,1,0,0,0|1,1,0]=3 231 B17R2.4343 CSCc1ccccc1SCC2=NCCN2 62a_100000148299_100000737910 [0,0,1,0,0,0|1,1,0]=3 232 B17R2.4343 CSCc1ccccc1SCC2=NCCN2 62a_100000737910_100000148299 [0,0,1,0,0,0|1,1,0]=3 233 B17R2.4343 N#CCc1ccccc1OCC2=NCCN2 34a_100000043107_100000737910 [0,0,1,0,0,0|1,0,1]=3 234 B17R2.4343 N#CCc1ccccc1OCC2=NCCN2 7a_100000043107_100000737910 [0,0,1,0,0,0|1,0,1]=3 235 B17R2.4343 N#CCc1ccccc1SCC2=NCCN2 62a_100000033512_100000737910 [0,0,1,0,0,0|1,1,1]=4 236 B17R2.4343 N#CCc1ccccc1SCC2=NCCN2 62a_100000737910_100000033512 [0,0,1,0,0,0|1,1,1]=4 237 B17R2.4343 NCCc1ccccc1OCC2=NCCN2 34a_100011207237_100000737910 [0,0,1,0,0,0|1,0,0]=2 238 B17R2.4343 NCCc1ccccc1OCc2ncc[nH]2 34a_100011207237_100016991755 [0,0,1,0,0,0|1,0,2]=4 239 B17R2.4343 NCCc1ccccc1OCc2nnn[nH]2 34a_100011207237_100000765167 [0,0,1,0,0,0|3,0,0]=4 240 B17R2.4343 NCCc1ccccc1SCC2=NCCN2 62a_100000737910_100000747383 [0,0,1,0,0,0|1,1,0]=3 241 B17R2.4343 NCCc1ccccc1SCC2=NCCN2 62a_100000747383_100000737910 [0,0,1,0,0,0|1,1,0]=3 242 B17R2.4343 NNCc1ccccc1SCC2=NCCN2 62a_100000737910_200016993956 [0,0,1,0,0,0|2,1,0]=4 243 B17R2.4343 NNCc1ccccc1SCC2=NCCN2 62a_200016993956_100000737910 [0,0,1,0,0,0|2,1,0]=4 244 B17R2.4343 OCCc1ccccc1NCC2=NCCN2 34a_100011215289_100000737910 [0,0,1,0,0,0|2,0,0]=3 245 B17R2.4343 OCCc1ccccc1OCC2=NCCN2 34a_100000719421_100000737910 [0,0,1,0,0,0|1,0,0]=2 246 B17R2.4343 OCCc1ccccc1OCC2=NCCN2 7a_100000719421_100000737910 [0,0,1,0,0,0|1,0,0]=2 247 B17R2.4343 OCCc1ccccc1OCc2ncc[nH]2 34a_100000719421_100016991755 [0,0,1,0,0,0|1,0,2]=4 248 B17R2.4343 OCCc1ccccc1OCc2ncc[nH]2 7a_100000719421_100000753453 [0,0,1,0,0,0|1,0,2]=4 249 B17R2.4343 OCCc1ccccc1OCc2nnn[nH]2 34a_100000719421_100000765167 [0,0,1,0,0,0|3,0,0]=4 250 B17R2.4343 OCCc1ccccc1OCc2nnn[nH]2 7a_100000719421_100000765167 [0,0,1,0,0,0|3,0,0]=4 251 B17R2.4343 OCCc1ccccc1SCC2=NCCN2 62a_100000731337_100000737910 [0,0,1,0,0,0|1,1,0]=3 252 B17R2.4343 OCCc1ccccc1SCC2=NCCN2 62a_100000737910_100000731337 [0,0,1,0,0,0|1,1,0]=3 253 B17R2.5678 C=C(C)c1ccccc1NCC2=NCCN2 34a_100000037685_100000737910 [0,0,1,0,0,0|1,0,2]=4 254 B17R2.5678 CC(=O)c1ccccc1SCC2=NCCN2 62a_100000751169_100000737910 [0,0,1,0,0,0|1,1,1]=4 255 B17R2.5678 CC(=O)c1ccncc1OCC2=NCCN2 7a_100009872882_100000737910 [0,0,1,0,0,0|2,0,1]=4 256 B17R2.5678 CC(=O)c1ncccc1OCC2=NCCN2 34a_100000087166_100000737910 [0,0,1,0,0,0|2,0,1]=4 257 B17R2.5678 CC(=O)c1ncccc1OCC2=NCCN2 7a_100000087166_100000737910 [0,0,1,0,0,0|2,0,1]=4 258 B17R2.5678 CC(C)c1ccccc1NCC2=NCCN2 34a_100000210643_100000737910 [0,0,1,0,0,0|1,0,0]=2 259 B17R2.5678 CC(C)c1ccccc1NCC2=NCCN2 7a_100000210643_100000737910 [0,0,1,0,0,0|1,0,0]=2 260 B17R2.5678 CC(C)c1ccccc1NCc2ncc[nH]2 207a_100000210643_100000743867 [0,0,1,0,0,0|1,0,2]=4 261 B17R2.5678 CC(C)c1ccccc1NCc2ncc[nH]2 2230a_100000210643_100016991755 [0,0,1,0,0,0|1,0,2]=4 262 B17R2.5678 CC(C)c1ccccc1NCc2ncc[nH]2 34a_100000210643_100016991755 [0,0,1,0,0,0|1,0,2]=4 263 B17R2.5678 CC(C)c1ccccc1NCc2ncc[nH]2 7a_100000210643_100000753453 [0,0,1,0,0,0|1,0,2]=4 264 B17R2.5678 CC(C)c1ccccc1NCc2nnn[nH]2 34a_100000210643_100000765167 [0,0,1,0,0,0|3,0,0]=4 265 B17R2.5678 CC(C)c1ccccc1NCc2nnn[nH]2 7a_100000210643_100000765167 [0,0,1,0,0,0|3,0,0]=4 266 B17R2.5678 CC(C)c1ccccc1OCC2=NCCN2 34a_100000211617_100000737910 [0,0,1,0,0,0|0,0,0]=1 267 B17R2.5678 CC(C)c1ccccc1OCC2=NCCN2 7a_100000211617_100000737910 [0,0,1,0,0,0|0,0,0]=1 268 B17R2.5678 CC(C)c1ccccc1OCC2CCCC2 34a_100000211617_100000740388 [0,0,1,0,0,0|2,0,1]=4 269 B17R2.5678 CC(C)c1ccccc1OCC2CCCC2 7a_100000211617_100000740388 [0,0,1,0,0,0|2,0,1]=4 270 B17R2.5678 CC(C)c1ccccc1OCC2CCCO2 7a_100000211617_100000203698 [0,0,1,0,0,0|2,0,1]=4 271 B17R2.5678 CC(C)c1ccccc1OCC2OCCO2 34a_100000211617_100000755774 [0,0,1,0,0,0|2,0,1]=4 272 B17R2.5678 CC(C)c1ccccc1OCC2OCCO2 7a_100000211617_100000755774 [0,0,1,0,0,0|2,0,1]=4 273 B17R2.5678 CC(C)c1ccccc1OCc2c[nH]cn2 34a_100000211617_100000707719 [0,0,1,0,0,0|2,0,1]=4 274 B17R2.5678 CC(C)c1ccccc1OCc2ccn[nH]2 34a_100000211617_100000728653 [0,0,1,0,0,0|2,0,1]=4 275 B17R2.5678 CC(C)c1ccccc1OCc2ccn[nH]2 7a_100000211617_100000728653 [0,0,1,0,0,0|2,0,1]=4 276 B17R2.5678 CC(C)c1ccccc1OCc2ccon2 34a_100000211617_100000234950 [0,0,1,0,0,0|2,0,1]=4 277 B17R2.5678 CC(C)c1ccccc1OCc2ccon2 7a_100000211617_100000234950 [0,0,1,0,0,0|2,0,1]=4 278 B17R2.5678 CC(C)c1ccccc1OCc2cscn2 34a_100000211617_100000205941 [0,0,1,0,0,0|2,0,1]=4 279 B17R2.5678 CC(C)c1ccccc1OCc2cscn2 7a_100000211617_100000205941 [0,0,1,0,0,0|2,0,1]=4 280 B17R2.5678 CC(C)c1ccccc1OCc2ncc[nH]2 34a_100000211617_100016991755 [0,0,1,0,0,0|0,0,2]=3 281 B17R2.5678 CC(C)c1ccccc1OCc2ncc[nH]2 7a_100000211617_100000753453 [0,0,1,0,0,0|0,0,2]=3 282 B17R2.5678 CC(C)c1ccccc1OCc2ncco2 34a_100000211617_103436540062 [0,0,1,0,0,0|1,0,2]=4 283 B17R2.5678 CC(C)c1ccccc1OCc2ncco2 7a_100000211617_103436540062 [0,0,1,0,0,0|1,0,2]=4 284 B17R2.5678 CC(C)c1ccccc1OCc2nccs2 34a_100000211617_100015184050 [0,0,1,0,0,0|1,0,2]=4 285 B17R2.5678 CC(C)c1ccccc1OCc2nccs2 7a_100000211617_100015184050 [0,0,1,0,0,0|1,0,2]=4 286 B17R2.5678 CC(C)c1ccccc1OCc2ncon2 34a_100000211617_100000233494 [0,0,1,0,0,0|1,0,2]=4 287 B17R2.5678 CC(C)c1ccccc1OCc2nnn[nH]2 34a_100000211617_100000765167 [0,0,1,0,0,0|2,0,0]=3 288 B17R2.5678 CC(C)c1ccccc1OCc2nnn[nH]2 7a_100000211617_100000765167 [0,0,1,0,0,0|2,0,0]=3 289 B17R2.5678 CC(C)c1ccccc1SCC2=NCCN2 62a_100000708600_100000737910 [0,0,1,0,0,0|0,1,0]=2 290 B17R2.5678 CC(C)c1ccccc1SCC2=NCCN2 62a_100000737910_100000708600 [0,0,1,0,0,0|0,1,0]=2 291 B17R2.5678 CC(C)c1ccccc1SCc2ncc[nH]2 62a_100000708600_100016991755 [0,0,1,0,0,0|0,1,2]=4 292 B17R2.5678 CC(C)c1ccccc1SCc2ncc[nH]2 62a_100016991755_100000708600 [0,0,1,0,0,0|0,1,2]=4 293 B17R2.5678 CC(C)c1ccccc1SCc2nnn[nH]2 62a_100000708600_100000765167 [0,0,1,0,0,0|2,1,0]=4 294 B17R2.5678 CC(C)c1ccccc1SCc2nnn[nH]2 62a_100000765167_100000708600 [0,0,1,0,0,0|2,1,0]=4 295 B17R2.5678 CC(C)c1cccnc1SCC2=NCCN2 62a_100000737910_200010382935 [0,0,1,0,0,0|1,1,0]=3 296 B17R2.5678 CC(C)c1cccnc1SCC2=NCCN2 62a_200010382935_100000737910 [0,0,1,0,0,0|1,1,0]=3 297 B17R2.5678 CC(C)c1ncccc1OCC2=NCCN2 34a_100012183336_100000737910 [0,0,1,0,0,0|1,0,0]=2 298 B17R2.5678 CC(C)c1ncccc1OCC2=NCCN2 7a_100012183336_100000737910 [0,0,1,0,0,0|1,0,0]=2 299 B17R2.5678 CC(C)c1ncccc1OCc2ncc[nH]2 34a_100012183336_100016991755 [0,0,1,0,0,0|1,0,2]=4 300 B17R2.5678 CC(C)c1ncccc1OCc2ncc[nH]2 7a_100012183336_100000753453 [0,0,1,0,0,0|1,0,2]=4 301 B17R2.5678 CC(C)c1ncccc1OCc2nnn[nH]2 34a_100012183336_100000765167 [0,0,1,0,0,0|3,0,0]=4 302 B17R2.5678 CC(C)c1ncccc1OCc2nnn[nH]2 7a_100012183336_100000765167 [0,0,1,0,0,0|3,0,0]=4 303 B17R2.5678 CC(C)c1ncncc1SCC2=NCCN2 62a_100000737910_100009816988 [0,0,1,0,0,0|2,1,0]=4 304 B17R2.5678 CC(C)c1ncncc1SCC2=NCCN2 62a_100009816988_100000737910 [0,0,1,0,0,0|2,1,0]=4 305 B17R2.5678 CC(N)c1ccccc1SCC2=NCCN2 62a_100000181357_100000737910 [0,0,1,0,0,0|1,1,0]=3 306 B17R2.5678 CC(N)c1ccccc1SCC2=NCCN2 62a_100000737910_100000181357 [0,0,1,0,0,0|1,1,0]=3 307 B17R2.5678 CC(N)c1ncccc1SCC2=NCCN2 62a_100000737910_100159271932 [0,0,1,0,0,0|2,1,0]=4 308 B17R2.5678 CC(N)c1ncccc1SCC2=NCCN2 62a_100159271932_100000737910 [0,0,1,0,0,0|2,1,0]=4 309 B17R2.5678 CC(O)c1ccccc1OCC2=NCCN2 34a_200011232679_100000737910 [0,0,1,0,0,0|1,0,0]=2 310 B17R2.5678 CC(O)c1ccccc1OCC2=NCCN2 7a_200011232679_100000737910 [0,0,1,0,0,0|1,0,0]=2 311 B17R2.5678 CC(O)c1ccccc1OCc2ncc[nH]2 34a_200011232679_100016991755 [0,0,1,0,0,0|1,0,2]=4 312 B17R2.5678 CC(O)c1ccccc1OCc2ncc[nH]2 7a_200011232679_100000753453 [0,0,1,0,0,0|1,0,2]=4 313 B17R2.5678 CC(O)c1ccccc1OCc2nnn[nH]2 34a_200011232679_100000765167 [0,0,1,0,0,0|3,0,0]=4 314 B17R2.5678 CC(O)c1ccccc1OCc2nnn[nH]2 7a_200011232679_100000765167 [0,0,1,0,0,0|3,0,0]=4 315 B17R2.5678 CC(O)c1ccccc1SCC2=NCCN2 62a_100000702211_100000737910 [0,0,1,0,0,0|1,1,0]=3 316 B17R2.5678 CC(O)c1ccccc1SCC2=NCCN2 62a_100000737910_100000702211 [0,0,1,0,0,0|1,1,0]=3 317 B17R2.5678 CC(O)c1cccnc1SCC2=NCCN2 62a_100000737910_100009865335 [0,0,1,0,0,0|2,1,0]=4 318 B17R2.5678 CC(O)c1cccnc1SCC2=NCCN2 62a_100009865335_100000737910 [0,0,1,0,0,0|2,1,0]=4 319 B17R2.5678 CN(C)c1ccccc1SCC2=NCCN2 62a_100000737910_100011290883 [0,0,1,0,0,0|1,1,0]=3 320 B17R2.5678 CN(C)c1ccccc1SCC2=NCCN2 62a_100011290883_100000737910 [0,0,1,0,0,0|1,1,0]=3 321 B17R2.5678 CN(C)c1ccncc1SCC2=NCCN2 62a_100000737910_100012355995 [0,0,1,0,0,0|2,1,0]=4 322 B17R2.5678 CN(C)c1ccncc1SCC2=NCCN2 62a_100012355995_100000737910 [0,0,1,0,0,0|2,1,0]=4 323 B17R2.5678 CN(C)c1ncccc1SCC2=NCCN2 62a_100000737910_100011465059 [0,0,1,0,0,0|2,1,0]=4 324 B17R2.5678 CN(C)c1ncccc1SCC2=NCCN2 62a_100011465059_100000737910 [0,0,1,0,0,0|2,1,0]=4 325 B17R2.5678 CS(=O)c1ccccc1SCC2=NCCN2 62a_100000734199_100000737910 [0,0,1,0,0,0|2,1,0]=4 326 B17R2.5678 C[C@@H](N)c1ccccc1OCC2=NCCN2 34a_100025703389_100000737910 [0,0,1,0,0,0|1,0,0]=2 327 B17R2.5678 C[C@@H](N)c1ccccc1OCc2ncc[nH]2 34a_100025703389_100016991755 [0,0,1,0,0,0|1,0,2]=4 328 B17R2.5678 C[C@@H](N)c1ccccc1OCc2nnn[nH]2 34a_100025703389_100000765167 [0,0,1,0,0,0|3,0,0]=4 329 B17R2.5678 C[C@H](O)c1ncccc1SCC2=NCCN2 62a_100000737910_100013325542 [0,0,1,0,0,0|2,1,0]=4 330 B17R2.5678 C[C@H](O)c1ncccc1SCC2=NCCN2 62a_100013325542_100000737910 [0,0,1,0,0,0|2,1,0]=4 331 B17R2.5678 FC(F)c1ccccc1NCC2=NCCN2 34a_100000734540_100000737910 [0,0,1,0,0,0|3,0,0]=4 332 B17R2.5678 FC(F)c1ccccc1NCC2=NCCN2 7a_100000734540_100000737910 [0,0,1,0,0,0|3,0,0]=4 333 B17R2.5678 FC(F)c1ccccc1SCC2=NCCN2 62a_100000737910_100010169824 [0,0,1,0,0,0|2,1,0]=4 334 B17R2.5678 FC(F)c1ccccc1SCC2=NCCN2 62a_100010169824_100000737910 [0,0,1,0,0,0|2,1,0]=4 335 B17R2.5678 FC(F)c1ccncc1OCC2=NCCN2 34a_100010834524_100000737910 [0,0,1,0,0,0|3,0,0]=4 336 B17R2.5678 FC(F)c1ccncc1OCC2=NCCN2 7a_100010834524_100000737910 [0,0,1,0,0,0|3,0,0]=4 337 B17R2.5678 NC(=O)c1ccccc1OCC2=NCCN2 34a_100000192804_100000737910 [0,0,1,0,0,0|2,0,1]=4 338 B17R2.5678 NC(=O)c1ccccc1OCC2=NCCN2 7a_100000192804_100000737910 [0,0,1,0,0,0|2,0,1]=4 339 B17R2.5678 NC(=S)c1ccccc1OCC2=NCCN2 7a_100000745089_100000737910 [0,0,1,0,0,0|2,0,1]=4 340 B17R2.5678 O=C([O-])c1ccccc1OCC2=NCCN2 7a_100015234032_100000737910 [0,0,1,0,0,0|2,0,1]=4 341 B17R2.5678 O=[N+]([O-])c1ccccc1OCC2=NCCN2 34a_100000186319_100000737910 [0,0,1,0,0,0|3,0,0]=4 342 B17R2.5678 O=[N+]([O-])c1ccccc1OCC2=NCCN2 7a_100000186319_100000737910 [0,0,1,0,0,0|3,0,0]=4 343 B17R2.49594 CCCC(=O)CSc1ccccc1C2CC2 62a_100000747444_100009819954 [0,0,1,0,0,0|2,1,0]=4 344 B17R2.49594 CCCC(=O)CSc1ccccc1C2CC2 62a_100009819954_100000747444 [0,0,1,0,0,0|2,1,0]=4 345 B17R2.49594 CCNC(=O)CNc1ccccc1C2CC2 34a_100011236190_100000183381 [0,0,1,0,0,0|2,0,0]=3 346 B17R2.49594 CCNC(=O)CSc1ccccc1C2CC2 62a_100000183381_100009819954 [0,0,1,0,0,0|1,1,0]=3 347 B17R2.49594 CCNC(=O)CSc1ccccc1C2CC2 62a_100009819954_100000183381 [0,0,1,0,0,0|1,1,0]=3 348 B17R2.49594 CCNC(=O)CSc1ncccc1C2CC2 62a_100000183381_100009851976 [0,0,1,0,0,0|2,1,0]=4 349 B17R2.49594 CCNC(=O)CSc1ncccc1C2CC2 62a_200009850273_100000183381 [0,0,1,0,0,0|2,1,0]=4 350 B17R2.49594 CCNC(=O)NCc1ccccc1C2CC2 2708a_100015525214_100020678745 [0,0,1,0,0,0|3,0,0]=4 351 B17R2.49594 CCNC(=O)NCc1ccccc1C2CC2 2708a_100020678745_100015525214 [0,0,1,0,0,0|3,0,0]=4 352 B17R2.49594 CCNC(=O)NCc1ccccc1C2CC2 273464a_100015525214_100020678745 [0,0,1,0,0,0|3,0,0]=4 353 B17R2.49594 CCNC(=O)NCc1ccccc1C2CC2 273464a_100020678745_100015525214 [0,0,1,0,0,0|3,0,0]=4 354 B17R2.49594 CCNC(=O)NCc1ccccc1C2CC2 512a_100015525214_100020678745 [0,0,1,0,0,0|3,0,0]=4 355 B17R2.49594 CCNC(=O)NCc1ccccc1C2CC2 512a_100020678745_100015525214 [0,0,1,0,0,0|3,0,0]=4 356 B17R2.49594 CCOC(=O)CCc1ccccc1C2CC2 271570a_100011220607_100009815309 [0,0,1,0,0,0|3,0,0]=4 357 B17R2.49594 CCOC(=O)CNc1ccccc1C2CC2 34a_100011236190_100000188475 [0,0,1,0,0,0|3,0,0]=4 358 B17R2.49594 CCOC(=O)COc1ccccc1C2CC2 271570a_100011220607_100000174061 [0,0,1,0,0,0|2,0,0]=3 359 B17R2.49594 CCOC(=O)CSc1ccccc1C2CC2 62a_100000188475_100009819954 [0,0,1,0,0,0|2,1,0]=4 360 B17R2.49594 CCOC(=O)CSc1ccccc1C2CC2 62a_100009819954_100000188475 [0,0,1,0,0,0|2,1,0]=4 361 B17R2.49594 O=C(CNc1ccccc1C2CC2)NCO 34a_100011236190_100000185155 [0,0,1,0,0,0|3,0,0]=4 362 B17R2.49594 O=C(CSc1ccccc1C2CC2)NCO 62a_100000185155_100009819954 [0,0,1,0,0,0|2,1,0]=4 363 B17R2.49594 O=C(CSc1ccccc1C2CC2)NCO 62a_100009819954_100000185155 [0,0,1,0,0,0|2,1,0]=4 364 B17R3.1919 C(=C1CCCC1)c2ccccc2C3CC3 271570a_100010378317_100009819954 [0,0,0,0,1,0|2,0,1]=4 365 B17R3.1919 c1ccc(c(c1)CN2CCCC2)C3CC3 270004a_100000188435_100000685308 [0,0,0,0,1,0|3,0,0]=4 366 B17R3.1919 c1ccc(c(c1)OC2CCCC2)C3CC3 271570a_100011220607_100011214840 [0,0,0,0,1,0|2,0,1]=4 367 B17R3.1919 c1ccc(c(c1)Sc2ncc[nH]2)C3CC3 62a_100009819954_100025796157 [0,0,0,0,1,0|0,1,2]=4 368 B17R3.1919 c1ccc(c(c1)Sc2ncc[nH]2)C3CC3 62a_100025796157_100009819954 [0,0,0,0,1,0|0,1,2]=4 369 B17R3.21047 c1[nH]nc(c1SCC2=NCCN2)C3CC3 62a_100000737910_100011471633 [0,0,0,0,1,0|2,1,0]=4 370 B17R3.21047 c1[nH]nc(c1SCC2=NCCN2)C3CC3 62a_100011471633_100000737910 [0,0,0,0,1,0|2,1,0]=4 371 B17R3.21047 c1cc(c(s1)SCC2=NCCN2)C3CC3 62a_100000737910_100010071141 [0,0,0,0,1,0|1,1,0]=3 372 B17R3.21047 c1cc(c(s1)SCC2=NCCN2)C3CC3 62a_100010071141_100000737910 [0,0,0,0,1,0|1,1,0]=3 373 B17R3.128124 c1ccc(c(c1)NCC2CCC2)C3CC3 34a_100011236190_100000763275 [0,0,0,0,1,0|2,0,1]=4 374 B17R3.128124 c1ccc(c(c1)NCC2CCO2)C3CC3 34a_100011236190_100000103362 [0,0,0,0,1,0|2,0,1]=4 375 B17R3.128124 c1ccc(c(c1)SCC2CCC2)C3CC3 62a_100000763275_100009819954 [0,0,0,0,1,0|1,1,1]=4 376 B17R3.128124 c1ccc(c(c1)SCC2CCC2)C3CC3 62a_100009819954_100000763275 [0,0,0,0,1,0|1,1,1]=4 377 B17R3.128124 c1ccc(c(c1)SCC2CCO2)C3CC3 62a_100000103362_100009819954 [0,0,0,0,1,0|1,1,1]=4 378 B17R3.128124 c1ccc(c(c1)SCC2CCO2)C3CC3 62a_100009819954_100000103362 [0,0,0,0,1,0|1,1,1]=4 379 B19R3.62399 c1ccc(c(c1)NC2CC2)OCC3CCCO3 34a_200011193920_100000211595 [0,0,0,0,0,1|2,0,1]=4 380 B19R3.62399 c1ccc(c(c1)OC2CC2)SCC3=NCCN3 62a_100000737910_100012344913 [0,0,0,0,0,1|0,1,0]=2 381 B19R3.62399 c1ccc(c(c1)OC2CC2)SCC3=NCCN3 62a_100012344913_100000737910 [0,0,0,0,0,1|0,1,0]=2 382 B19R3.62399 c1ccc(c(c1)OC2CC2)SCc3ncc[nH]3 62a_100012344913_100016991755 [0,0,0,0,0,1|0,1,2]=4 383 B19R3.62399 c1ccc(c(c1)OC2CC2)SCc3ncc[nH]3 62a_100016991755_100012344913 [0,0,0,0,0,1|0,1,2]=4 384 B19R3.62399 c1ccc(c(c1)OC2CC2)SCc3nnn[nH]3 62a_100000765167_100012344913 [0,0,0,0,0,1|2,1,0]=4 385 B19R3.62399 c1ccc(c(c1)OC2CC2)SCc3nnn[nH]3 62a_100012344913_100000765167 [0,0,0,0,0,1|2,1,0]=4 386 B19R3.62427 c1ccc(c(c1)CNCC2=NCCN2)C3CC3 34a_100020678745_100000737910 [0,0,0,0,0,1|1,0,0]=2 387 B19R3.62427 c1ccc(c(c1)CNCc2ncc[nH]2)C3CC3 207a_100000754540_100000685308 [0,0,0,0,0,1|1,0,2]=4 388 B19R3.62427 c1ccc(c(c1)CNCc2ncc[nH]2)C3CC3 207a_100020678745_100000743867 [0,0,0,0,0,1|1,0,2]=4 389 B19R3.62427 c1ccc(c(c1)CNCc2ncc[nH]2)C3CC3 270004a_100000754540_100000685308 [0,0,0,0,0,1|1,0,2]=4 390 B19R3.62427 c1ccc(c(c1)CNCc2ncc[nH]2)C3CC3 34a_100020678745_100016991755 [0,0,0,0,0,1|1,0,2]=4 391 B19R3.62427 c1ccc(c(c1)CNCc2nnn[nH]2)C3CC3 34a_100020678745_100000765167 [0,0,0,0,0,1|3,0,0]=4 392 B19R3.62427 c1ccc(c(c1)COCC2=NCCN2)C3CC3 34a_100012675891_100000737910 [0,0,0,0,0,1|0,0,0]=1 393 B19R3.62427 c1ccc(c(c1)COCC2=NCCN2)C3CC3 7a_100012675891_100000737910 [0,0,0,0,0,1|0,0,0]=1 394 B19R3.62427 c1ccc(c(c1)COCC2CCCC2)C3CC3 34a_100012675891_100000740388 [0,0,0,0,0,1|2,0,1]=4 395 B19R3.62427 c1ccc(c(c1)COCC2CCCC2)C3CC3 7a_100012675891_100000740388 [0,0,0,0,0,1|2,0,1]=4 396 B19R3.62427 c1ccc(c(c1)COCC2CCCO2)C3CC3 7a_100012675891_100000203698 [0,0,0,0,0,1|2,0,1]=4 397 B19R3.62427 c1ccc(c(c1)COCC2OCCO2)C3CC3 34a_100012675891_100000755774 [0,0,0,0,0,1|2,0,1]=4 398 B19R3.62427 c1ccc(c(c1)COCC2OCCO2)C3CC3 7a_100012675891_100000755774 [0,0,0,0,0,1|2,0,1]=4 399 B19R3.62427 c1ccc(c(c1)COCc2c[nH]cn2)C3CC3 34a_100012675891_100000707719 [0,0,0,0,0,1|2,0,1]=4 400 B19R3.62427 c1ccc(c(c1)COCc2ccn[nH]2)C3CC3 34a_100012675891_100000728653 [0,0,0,0,0,1|2,0,1]=4 401 B19R3.62427 c1ccc(c(c1)COCc2ccn[nH]2)C3CC3 7a_100012675891_100000728653 [0,0,0,0,0,1|2,0,1]=4 402 B19R3.62427 c1ccc(c(c1)COCc2ccon2)C3CC3 34a_100012675891_100000234950 [0,0,0,0,0,1|2,0,1]=4 403 B19R3.62427 c1ccc(c(c1)COCc2ccon2)C3CC3 7a_100012675891_100000234950 [0,0,0,0,0,1|2,0,1]=4 404 B19R3.62427 c1ccc(c(c1)COCc2cscn2)C3CC3 34a_100012675891_100000205941 [0,0,0,0,0,1|2,0,1]=4 405 B19R3.62427 c1ccc(c(c1)COCc2cscn2)C3CC3 7a_100012675891_100000205941 [0,0,0,0,0,1|2,0,1]=4 406 B19R3.62427 c1ccc(c(c1)COCc2ncc[nH]2)C3CC3 34a_100012675891_100016991755 [0,0,0,0,0,1|0,0,2]=3 407 B19R3.62427 c1ccc(c(c1)COCc2ncc[nH]2)C3CC3 7a_100012675891_100000753453 [0,0,0,0,0,1|0,0,2]=3 408 B19R3.62427 c1ccc(c(c1)COCc2ncco2)C3CC3 34a_100012675891_103436540062 [0,0,0,0,0,1|1,0,2]=4 409 B19R3.62427 c1ccc(c(c1)COCc2ncco2)C3CC3 7a_100012675891_103436540062 [0,0,0,0,0,1|1,0,2]=4 410 B19R3.62427 c1ccc(c(c1)COCc2nccs2)C3CC3 34a_100012675891_100015184050 [0,0,0,0,0,1|1,0,2]=4 411 B19R3.62427 c1ccc(c(c1)COCc2nccs2)C3CC3 7a_100012675891_100015184050 [0,0,0,0,0,1|1,0,2]=4 412 B19R3.62427 c1ccc(c(c1)COCc2ncon2)C3CC3 34a_100012675891_100000233494 [0,0,0,0,0,1|1,0,2]=4 413 B19R3.62427 c1ccc(c(c1)COCc2nnn[nH]2)C3CC3 34a_100012675891_100000765167 [0,0,0,0,0,1|2,0,0]=3 414 B19R3.62427 c1ccc(c(c1)COCc2nnn[nH]2)C3CC3 7a_100012675891_100000765167 [0,0,0,0,0,1|2,0,0]=3 415 B19R3.62427 c1ccc(c(c1)SCCc2nnn[nH]2)C3CC3 62a_100000031946_100009819954 [0,0,0,0,0,1|2,1,0]=4 416 B19R3.62427 c1ccc(c(c1)SCCc2nnn[nH]2)C3CC3 62a_100009819954_100000031946 [0,0,0,0,0,1|2,1,0]=4 417 B16R2.1480 BrCc1ncccc1OCC2=NCCN2 34a_200020655725_100000737910 [1,0,1,0,0,0|2,0,0]=4 418 B16R2.1480 BrCc1ncccc1OCC2=NCCN2 7a_200020655725_100000737910 [1,0,1,0,0,0|2,0,0]=4 419 B16R2.1480 C#Cc1ccccc1OCC2=NCCN2 34a_200011470546_100000737910 [1,0,1,0,0,0|0,0,2]=4 420 B16R2.1480 C#Cc1ccccc1OCC2=NCCN2 7a_200011470546_100000737910 [1,0,1,0,0,0|0,0,2]=4 421 B16R2.1480 CCc1ccccc1NCC2=NCCN2 34a_100000212081_100000737910 [1,0,1,0,0,0|1,0,0]=3 422 B16R2.1480 CCc1ccccc1NCC2=NCCN2 7a_100000212081_100000737910 [1,0,1,0,0,0|1,0,0]=3 423 B16R2.1480 CCc1ccccc1OCC2=NCCN2 34a_100000210936_100000737910 [1,0,1,0,0,0|0,0,0]=2 424 B16R2.1480 CCc1ccccc1OCC2=NCCN2 7a_100000210936_100000737910 [1,0,1,0,0,0|0,0,0]=2 425 B16R2.1480 CCc1ccccc1OCc2ncc[nH]2 34a_100000210936_100016991755 [1,0,1,0,0,0|0,0,2]=4 426 B16R2.1480 CCc1ccccc1OCc2ncc[nH]2 7a_100000210936_100000753453 [1,0,1,0,0,0|0,0,2]=4 427 B16R2.1480 CCc1ccccc1OCc2nnn[nH]2 34a_100000210936_100000765167 [1,0,1,0,0,0|2,0,0]=4 428 B16R2.1480 CCc1ccccc1OCc2nnn[nH]2 7a_100000210936_100000765167 [1,0,1,0,0,0|2,0,0]=4 429 B16R2.1480 CCc1ccccc1SCC2=NCCN2 62a_100000737910_100011215823 [1,0,1,0,0,0|0,1,0]=3 430 B16R2.1480 CCc1ccccc1SCC2=NCCN2 62a_100011215823_100000737910 [1,0,1,0,0,0|0,1,0]=3 431 B16R2.1480 CCc1ccncc1SCC2=NCCN2 62a_100000737910_100009819861 [1,0,1,0,0,0|1,1,0]=4 432 B16R2.1480 CCc1ccncc1SCC2=NCCN2 62a_100009819861_100000737910 [1,0,1,0,0,0|1,1,0]=4 433 B16R2.1480 CCc1cnccc1SCC2=NCCN2 62a_100000737910_100025704421 [1,0,1,0,0,0|1,1,0]=4 434 B16R2.1480 CCc1cnccc1SCC2=NCCN2 62a_100025704421_100000737910 [1,0,1,0,0,0|1,1,0]=4 435 B16R2.1480 CCc1ncccc1SCC2=NCCN2 62a_100000737910_100009877225 [1,0,1,0,0,0|1,1,0]=4 436 B16R2.1480 CCc1ncccc1SCC2=NCCN2 62a_100009877225_100000737910 [1,0,1,0,0,0|1,1,0]=4 437 B16R2.1480 CNc1ccccc1OCC2=NCCN2 34a_100000033821_100000737910 [1,0,1,0,0,0|1,0,0]=3 438 B16R2.1480 CNc1ccccc1SCC2=NCCN2 62a_100000737910_100020606079 [1,0,1,0,0,0|1,1,0]=4 439 B16R2.1480 CNc1ccccc1SCC2=NCCN2 62a_100020606079_100000737910 [1,0,1,0,0,0|1,1,0]=4 440 B16R2.1480 COc1ccccc1NCC2=NCCN2 34a_100000210025_100000737910 [1,0,1,0,0,0|2,0,0]=4 441 B16R2.1480 COc1ccccc1OCC2=NCCN2 34a_100000210385_100000737910 [1,0,1,0,0,0|1,0,0]=3 442 B16R2.1480 COc1ccccc1SCC2=NCCN2 62a_100000210334_100000737910 [1,0,1,0,0,0|1,1,0]=4 443 B16R2.1480 COc1ccccc1SCC2=NCCN2 62a_100000737910_100000210334 [1,0,1,0,0,0|1,1,0]=4 444 B16R2.1480 COc1cccnc1OCC2=NCCN2 34a_100025773188_100000737910 [1,0,1,0,0,0|2,0,0]=4 445 B16R2.1480 COc1ccncc1OCC2=NCCN2 34a_100000101186_100000737910 [1,0,1,0,0,0|2,0,0]=4 446 B16R2.1480 COc1ncccc1OCC2=NCCN2 34a_100000698397_100000737910 [1,0,1,0,0,0|2,0,0]=4 447 B16R2.1480 COc1ncccc1OCC2=NCCN2 7a_100000698397_100000737910 [1,0,1,0,0,0|2,0,0]=4 448 B16R2.1480 CSc1ccccc1NCC2=NCCN2 34a_100000211160_100000737910 [1,0,1,0,0,0|2,0,0]=4 449 B16R2.1480 CSc1ccccc1OCC2=NCCN2 34a_100011216402_100000737910 [1,0,1,0,0,0|1,0,0]=3 450 B16R2.1480 CSc1ccccc1SCC2=NCCN2 62a_100000737910_100011217816 [1,0,1,0,0,0|1,1,0]=4 451 B16R2.1480 CSc1ccccc1SCC2=NCCN2 62a_100011217816_100000737910 [1,0,1,0,0,0|1,1,0]=4 452 B16R2.1480 N#Cc1ccccc1OCC2=NCCN2 34a_100000211048_100000737910 [1,0,1,0,0,0|1,0,1]=4 453 B16R2.1480 N#Cc1ccccc1OCC2=NCCN2 7a_100000211048_100000737910 [1,0,1,0,0,0|1,0,1]=4 454 B16R2.1480 NCc1ccccc1OCC2=NCCN2 34a_100000185550_100000737910 [1,0,1,0,0,0|1,0,0]=3 455 B16R2.1480 NCc1ccccc1SCC2=NCCN2 62a_100000689332_100000737910 [1,0,1,0,0,0|1,1,0]=4 456 B16R2.1480 NCc1ccccc1SCC2=NCCN2 62a_100000737910_100000689332 [1,0,1,0,0,0|1,1,0]=4 457 B16R2.1480 OCc1ccccc1NCC2=NCCN2 34a_100000212039_100000737910 [1,0,1,0,0,0|2,0,0]=4 458 B16R2.1480 OCc1ccccc1OCC2=NCCN2 34a_100011216872_100000737910 [1,0,1,0,0,0|1,0,0]=3 459 B16R2.1480 OCc1ccccc1SCC2=NCCN2 62a_100000187465_100000737910 [1,0,1,0,0,0|1,1,0]=4 460 B16R2.1480 OCc1ccccc1SCC2=NCCN2 62a_100000737910_100000187465 [1,0,1,0,0,0|1,1,0]=4 461 B16R2.1480 OCc1ccncc1OCC2=NCCN2 34a_100000078615_100000737910 [1,0,1,0,0,0|2,0,0]=4 462 B16R2.1480 OCc1ncccc1OCC2=NCCN2 34a_100000731849_100000737910 [1,0,1,0,0,0|2,0,0]=4 463 B16R2.4144 CCC(=O)CSc1ccccc1C2CC2 62a_100000747405_100009819954 [1,0,1,0,0,0|1,1,0]=4 464 B16R2.4144 CCC(=O)CSc1ccccc1C2CC2 62a_100009819954_100000747405 [1,0,1,0,0,0|1,1,0]=4 465 B16R2.4144 CNC(=O)CNc1ccccc1C2CC2 34a_100011236190_100000183359 [1,0,1,0,0,0|2,0,0]=4 466 B16R2.4144 CNC(=O)COc1ccccc1C2CC2 271570a_100011220607_200000148481 [1,0,1,0,0,0|1,0,0]=3 467 B16R2.4144 CNC(=O)CSc1ccccc1C2CC2 62a_100000183359_100009819954 [1,0,1,0,0,0|1,1,0]=4 468 B16R2.4144 CNC(=O)CSc1ccccc1C2CC2 62a_100009819954_100000183359 [1,0,1,0,0,0|1,1,0]=4 469 B16R2.4144 COC(=O)COc1ccccc1C2CC2 271570a_100011220607_200000173920 [1,0,1,0,0,0|2,0,0]=4 470 B16R2.4144 NNC(=O)COc1ccccc1C2CC2 271570a_100011220607_100025785231 [1,0,1,0,0,0|2,0,0]=4 471 B16R2.34416 CC/C=C\CNc1ccccc1C2CC2 34a_100011236190_100103147603 [1,0,1,0,0,0|2,0,0]=4 472 B16R2.34416 CC/C=C\CSc1ccccc1C2CC2 62a_100009819954_100103147603 [1,0,1,0,0,0|1,1,0]=4 473 B16R2.34416 CC/C=C\CSc1ccccc1C2CC2 62a_100103147603_100009819954 [1,0,1,0,0,0|1,1,0]=4 474 B18R2.5268 CCCc1ccccc1OCc2n[nH]c(=O)[nH]2 7a_100011217252_100000754189 [0,1,1,0,0,0|1,0,1]=4 475 B18R2.7563 CCCc1ccccc1OCc2nccn2C 34a_100011217252_100000700302 [0,1,1,0,0,0|0,0,2]=4 476 B18R2.7563 CCCc1ccccc1OCc2nccn2C 7a_100011217252_100000700302 [0,1,1,0,0,0|0,0,2]=4 477 B18R2.8560 C=CCOc1ccccc1OCC2=NCCN2 34a_200011262142_100000737910 [0,1,1,0,0,0|0,0,2]=4 478 B18R2.8560 C=CCOc1ccccc1OCC2=NCCN2 7a_200011262142_100000737910 [0,1,1,0,0,0|0,0,2]=4 479 B18R2.8560 CCCCc1ccccc1NCC2=NCCN2 34a_200011217597_100000737910 [0,1,1,0,0,0|1,0,0]=3 480 B18R2.8560 CCCCc1ccccc1NCC2=NCCN2 7a_200011217597_100000737910 [0,1,1,0,0,0|1,0,0]=3 481 B18R2.8560 CCCOc1ccccc1NCC2=NCCN2 34a_100000683936_100000737910 [0,1,1,0,0,0|1,0,0]=3 482 B18R2.8560 CCCOc1ccccc1OCC2=NCCN2 34a_100000180214_100000737910 [0,1,1,0,0,0|0,0,0]=2 483 B18R2.8560 CCCOc1ccccc1OCC2=NCCN2 7a_100000180214_100000737910 [0,1,1,0,0,0|0,0,0]=2 484 B18R2.8560 CCCOc1ccccc1OCc2ncc[nH]2 34a_100000180214_100016991755 [0,1,1,0,0,0|0,0,2]=4 485 B18R2.8560 CCCOc1ccccc1OCc2ncc[nH]2 7a_100000180214_100000753453 [0,1,1,0,0,0|0,0,2]=4 486 B18R2.8560 CCCOc1ccccc1OCc2nnn[nH]2 34a_100000180214_100000765167 [0,1,1,0,0,0|2,0,0]=4 487 B18R2.8560 CCCOc1ccccc1OCc2nnn[nH]2 7a_100000180214_100000765167 [0,1,1,0,0,0|2,0,0]=4 488 B18R2.8560 CCCOc1ccccc1SCC2=NCCN2 62a_100000174042_100000737910 [0,1,1,0,0,0|0,1,0]=3 489 B18R2.8560 CCCOc1ccccc1SCC2=NCCN2 62a_100000737910_100000174042 [0,1,1,0,0,0|0,1,0]=3 490 B18R2.8560 CCCOc1ncccc1SCC2=NCCN2 62a_100000737910_200011465209 [0,1,1,0,0,0|1,1,0]=4 491 B18R2.8560 CCCOc1ncccc1SCC2=NCCN2 62a_200011465209_100000737910 [0,1,1,0,0,0|1,1,0]=4 492 B18R2.8560 CCCSc1ccccc1NCC2=NCCN2 34a_100015184514_100000737910 [0,1,1,0,0,0|1,0,0]=3 493 B18R2.8560 CCCSc1ccccc1NCC2=NCCN2 7a_100015184514_100000737910 [0,1,1,0,0,0|1,0,0]=3 494 B18R2.8560 CCOCc1ccccc1SCC2=NCCN2 62a_100000737910_200011493690 [0,1,1,0,0,0|0,1,0]=3 495 B18R2.8560 CCOCc1ccccc1SCC2=NCCN2 62a_200011493690_100000737910 [0,1,1,0,0,0|0,1,0]=3 496 B18R2.8560 CCSCc1ccccc1SCC2=NCCN2 62a_100000737910_200000173030 [0,1,1,0,0,0|0,1,0]=3 497 B18R2.8560 CCSCc1ccccc1SCC2=NCCN2 62a_200000173030_100000737910 [0,1,1,0,0,0|0,1,0]=3 498 B18R2.8560 COCCc1ccccc1OCC2=NCCN2 34a_100000722730_100000737910 [0,1,1,0,0,0|0,0,0]=2 499 B18R2.8560 COCCc1ccccc1OCC2=NCCN2 7a_100000722730_100000737910 [0,1,1,0,0,0|0,0,0]=2 500 B18R2.8560 COCCc1ccccc1OCc2ncc[nH]2 34a_100000722730_100016991755 [0,1,1,0,0,0|0,0,2]=4 501 B18R2.8560 COCCc1ccccc1OCc2ncc[nH]2 7a_100000722730_100000753453 [0,1,1,0,0,0|0,0,2]=4 502 B18R2.8560 COCCc1ccccc1OCc2nnn[nH]2 34a_100000722730_100000765167 [0,1,1,0,0,0|2,0,0]=4 503 B18R2.8560 COCCc1ccccc1OCc2nnn[nH]2 7a_100000722730_100000765167 [0,1,1,0,0,0|2,0,0]=4 504 B18R2.8560 COCOc1ccccc1SCC2=NCCN2 62a_100000737910_200000230759 [0,1,1,0,0,0|1,1,0]=4 505 B18R2.8560 COCOc1ccccc1SCC2=NCCN2 62a_200000230759_100000737910 [0,1,1,0,0,0|1,1,0]=4 506 B18R2.8560 FCCOc1ccccc1NCC2=NCCN2 34a_100012000959_100000737910 [0,1,1,0,0,0|2,0,0]=4 507 B18R2.8560 NCCOc1ccccc1SCC2=NCCN2 62a_100000737910_100000744007 [0,1,1,0,0,0|1,1,0]=4 508 B18R2.8560 NCCOc1ccccc1SCC2=NCCN2 62a_100000744007_100000737910 [0,1,1,0,0,0|1,1,0]=4 509 B18R2.8560 O=CCCc1ccccc1SCC2=NCCN2 62a_100000737910_100011713448 [0,1,1,0,0,0|0,1,1]=4 510 B18R2.8560 O=CCCc1ccccc1SCC2=NCCN2 62a_100011713448_100000737910 [0,1,1,0,0,0|0,1,1]=4 511 B18R2.8560 OCCCc1ccccc1SCC2=NCCN2 62a_100000699526_100000737910 [0,1,1,0,0,0|0,1,0]=3 512 B18R2.8560 OCCCc1ccccc1SCC2=NCCN2 62a_100000737910_100000699526 [0,1,1,0,0,0|0,1,0]=3 513 B18R2.8560 OCCOc1ccccc1NCC2=NCCN2 34a_100132302172_100000737910 [0,1,1,0,0,0|2,0,0]=4 514 B18R2.8560 OCCOc1ccccc1OCC2=NCCN2 34a_100000181789_100000737910 [0,1,1,0,0,0|1,0,0]=3 515 B18R2.8560 OCCOc1ccccc1OCC2=NCCN2 7a_100000181789_100000737910 [0,1,1,0,0,0|1,0,0]=3 516 B18R2.8560 OCCOc1ccccc1SCC2=NCCN2 62a_100000230753_100000737910 [0,1,1,0,0,0|1,1,0]=4 517 B18R2.8560 OCCOc1ccccc1SCC2=NCCN2 62a_100000737910_100000230753 [0,1,1,0,0,0|1,1,0]=4 518 B18R2.8560 OCCSc1ccccc1SCC2=NCCN2 62a_100000737910_200000230852 [0,1,1,0,0,0|1,1,0]=4 519 B18R2.8560 OCCSc1ccccc1SCC2=NCCN2 62a_200000230852_100000737910 [0,1,1,0,0,0|1,1,0]=4 520 B18R2.9495 CCC(=O)c1ccccc1OCC2=NCCN2 7a_100000184720_100000737910 [0,1,1,0,0,0|0,0,1]=3 521 B18R2.9495 CCC(C)c1ccccc1NCC2=NCCN2 7a_200000211393_100000737910 [0,1,1,0,0,0|1,0,0]=3 522 B18R2.9495 CCC(C)c1ccccc1OCC2=NCCN2 7a_100000211618_100000737910 [0,1,1,0,0,0|0,0,0]=2 523 B18R2.9495 CCC(C)c1ccccc1OCc2ncc[nH]2 7a_100000211618_100000753453 [0,1,1,0,0,0|0,0,2]=4 524 B18R2.9495 CCC(C)c1ccccc1OCc2nnn[nH]2 7a_100000211618_100000765167 [0,1,1,0,0,0|2,0,0]=4 525 B18R2.9495 CNC(=O)c1ccccc1OCC2=NCCN2 34a_100000185920_100000737910 [0,1,1,0,0,0|1,0,1]=4 526 B18R2.9495 CNC(=O)c1ccccc1OCC2=NCCN2 7a_100000185920_100000737910 [0,1,1,0,0,0|1,0,1]=4 527 B18R2.9495 CNC(C)c1ccccc1SCC2=NCCN2 62a_100000692418_100000737910 [0,1,1,0,0,0|1,1,0]=4 528 B18R2.9495 CNC(C)c1ccccc1SCC2=NCCN2 62a_100000737910_100000692418 [0,1,1,0,0,0|1,1,0]=4 529 B18R2.9495 COC(=O)c1ccccc1OCC2=NCCN2 7a_100000150335_100000737910 [0,1,1,0,0,0|1,0,1]=4 530 B18R2.9495 NCC(O)c1ccccc1SCC2=NCCN2 62a_100000737910_100011236429 [0,1,1,0,0,0|1,1,0]=4 531 B18R2.9495 NCC(O)c1ccccc1SCC2=NCCN2 62a_100011236429_100000737910 [0,1,1,0,0,0|1,1,0]=4 532 B18R2.9495 N[C@H](CO)c1ccccc1SCC2=NCCN2 62a_100000737910_100161155918 [0,1,1,0,0,0|1,1,0]=4 533 B18R2.9495 N[C@H](CO)c1ccccc1SCC2=NCCN2 62a_100161155918_100000737910 [0,1,1,0,0,0|1,1,0]=4 534 B18R2.9495 O=C(CBr)c1ccccc1OCC2=NCCN2 7a_100000188908_100000737910 [0,1,1,0,0,0|1,0,1]=4 535 B18R2.9915 CC(=O)Cc1ccccc1SCC2=NCCN2 62a_100000737910_100011350739 [0,1,1,0,0,0|0,1,1]=4 536 B18R2.9915 CC(=O)Cc1ccccc1SCC2=NCCN2 62a_100011350739_100000737910 [0,1,1,0,0,0|0,1,1]=4 537 B18R2.9915 CC(=O)Nc1ccccc1OCC2=NCCN2 34a_100000185124_100000737910 [0,1,1,0,0,0|1,0,1]=4 538 B18R2.9915 CC(=O)Nc1ccccc1OCC2=NCCN2 7a_100000185124_100000737910 [0,1,1,0,0,0|1,0,1]=4 539 B18R2.9915 CC(C)Nc1ccccc1SCC2=NCCN2 62a_100000219599_100000737910 [0,1,1,0,0,0|1,1,0]=4 540 B18R2.9915 CC(C)Nc1ccccc1SCC2=NCCN2 62a_100000737910_100000219599 [0,1,1,0,0,0|1,1,0]=4 541 B18R2.9915 CC(C)Oc1ccccc1NCC2=NCCN2 34a_100000739276_100000737910 [0,1,1,0,0,0|2,0,0]=4 542 B18R2.9915 CC(C)Oc1ccccc1OCC2=NCCN2 34a_100011218612_100000737910 [0,1,1,0,0,0|1,0,0]=3 543 B18R2.9915 CC(C)Oc1ccccc1OCC2=NCCN2 7a_100011218612_100000737910 [0,1,1,0,0,0|1,0,0]=3 544 B18R2.9915 CC(C)Oc1ccccc1SCC2=NCCN2 62a_100000173919_100000737910 [0,1,1,0,0,0|1,1,0]=4 545 B18R2.9915 CC(C)Oc1ccccc1SCC2=NCCN2 62a_100000737910_100000173919 [0,1,1,0,0,0|1,1,0]=4 546 B18R2.9915 CC(C)Sc1ccccc1NCC2=NCCN2 34a_100000688217_100000737910 [0,1,1,0,0,0|2,0,0]=4 547 B18R2.9915 CN(C)Cc1ccccc1SCC2=NCCN2 62a_100000174758_100000737910 [0,1,1,0,0,0|1,1,0]=4 548 B18R2.9915 CN(C)Cc1ccccc1SCC2=NCCN2 62a_100000737910_100000174758 [0,1,1,0,0,0|1,1,0]=4 549 B18R2.9915 FC(F)Oc1ccccc1OCC2=NCCN2 34a_100000752575_100000737910 [0,1,1,0,0,0|2,0,0]=4 550 B18R2.9915 FC(F)Oc1ccccc1OCC2=NCCN2 7a_100000752575_100000737910 [0,1,1,0,0,0|2,0,0]=4 551 B18R2.30633 CCOc1ccc(cc1NCC2=NCCN2)Br 34a_100000751366_100000737910 [0,1,1,0,0,0|2,0,0]=4 552 B18R2.30633 CCOc1ccc(cc1NCC2=NCCN2)C 34a_100011202655_100000737910 [0,1,1,0,0,0|2,0,0]=4 553 B18R2.30633 CCOc1ccc(cc1NCC2=NCCN2)Cl 34a_100000742605_100000737910 [0,1,1,0,0,0|2,0,0]=4 554 B18R2.30633 CCOc1ccc(cc1SCC2=NCCN2)C 62a_100000737910_200000230997 [0,1,1,0,0,0|1,1,0]=4 555 B18R2.30633 CCOc1ccc(cc1SCC2=NCCN2)C 62a_200000230997_100000737910 [0,1,1,0,0,0|1,1,0]=4 556 B18R2.30633 CCOc1ccc(cc1SCC2=NCCN2)F 62a_100000171695_100000737910 [0,1,1,0,0,0|1,1,0]=4 557 B18R2.30633 CCOc1ccc(cc1SCC2=NCCN2)F 62a_100000737910_100000171695 [0,1,1,0,0,0|1,1,0]=4 558 B18R2.30633 CCSc1ccc(cc1NCC2=NCCN2)Cl 34a_100000752208_100000737910 [0,1,1,0,0,0|2,0,0]=4 559 B18R2.30633 CNCc1ccc(cc1SCC2=NCCN2)F 62a_100000737910_200011192132 [0,1,1,0,0,0|1,1,0]=4 560 B18R2.30633 CNCc1ccc(cc1SCC2=NCCN2)F 62a_200011192132_100000737910 [0,1,1,0,0,0|1,1,0]=4 561 B18R2.30633 COCc1ccc(cc1NCC2=NCCN2)Br 34a_100013084866_100000737910 [0,1,1,0,0,0|2,0,0]=4 562 B18R2.30633 COCc1ccc(cc1NCC2=NCCN2)Br 7a_100013084866_100000737910 [0,1,1,0,0,0|2,0,0]=4 563 B18R2.54646 C=CCc1cccc(c1OCC2=NCCN2)C 34a_200011218211_100000737910 [0,1,1,0,0,0|0,0,2]=4 564 B18R2.54646 C=CCc1cccc(c1OCC2=NCCN2)C 7a_200011218211_100000737910 [0,1,1,0,0,0|0,0,2]=4 565 B18R2.54646 CCOc1cccc(c1NCC2=NCCN2)Br 34a_200103155331_100000737910 [0,1,1,0,0,0|2,0,0]=4 566 B18R2.54646 CCOc1cccc(c1NCC2=NCCN2)Cl 34a_100012284057_100000737910 [0,1,1,0,0,0|2,0,0]=4 567 B18R2.73372 CCOc1cc(ccc1NCC2=NCCN2)Br 34a_100000688918_100000737910 [0,1,1,0,0,0|2,0,0]=4 568 B18R2.73372 CCOc1cc(ccc1NCC2=NCCN2)C 34a_100000742043_100000737910 [0,1,1,0,0,0|2,0,0]=4 569 B18R2.73372 CCOc1cc(ccc1NCC2=NCCN2)Cl 34a_100000687649_100000737910 [0,1,1,0,0,0|2,0,0]=4 570 B18R2.73372 CCOc1cc(ccc1NCC2=NCCN2)F 34a_100000741351_100000737910 [0,1,1,0,0,0|2,0,0]=4 571 B18R2.73372 CCOc1cc(ccc1OCC2=NCCN2)C 34a_200000034294_100000737910 [0,1,1,0,0,0|1,0,0]=3 572 B18R2.73372 CCOc1cc(ccc1OCC2=NCCN2)C 7a_200000034294_100000737910 [0,1,1,0,0,0|1,0,0]=3 573 B18R2.73372 CCOc1cc(ccc1SCC2=NCCN2)C 62a_100000737910_200010713166 [0,1,1,0,0,0|1,1,0]=4 574 B18R2.73372 CCOc1cc(ccc1SCC2=NCCN2)C 62a_200010713166_100000737910 [0,1,1,0,0,0|1,1,0]=4 575 B18R2.73372 CCOc1cc(ccc1SCC2=NCCN2)F 62a_100000737910_200012340411 [0,1,1,0,0,0|1,1,0]=4 576 B18R2.73372 CCOc1cc(ccc1SCC2=NCCN2)F 62a_200012340411_100000737910 [0,1,1,0,0,0|1,1,0]=4 577 B18R2.73372 CCOc1cc(ccc1SCC2=NCCN2)N 62a_100000737910_200016990551 [0,1,1,0,0,0|1,1,0]=4 578 B18R2.73372 CCOc1cc(ccc1SCC2=NCCN2)N 62a_200016990551_100000737910 [0,1,1,0,0,0|1,1,0]=4 579 B18R2.73372 CNCc1cc(ccc1OCC2=NCCN2)Br 34a_100011602694_100000737910 [0,1,1,0,0,0|1,0,0]=3 580 B18R2.73372 CNCc1cc(ccc1OCC2=NCCN2)Cl 34a_100000712467_100000737910 [0,1,1,0,0,0|1,0,0]=3 581 B18R2.73372 CNCc1cc(ccc1OCC2=NCCN2)F 34a_114855342409_100000737910 [0,1,1,0,0,0|1,0,0]=3 582 B18R2.73372 COCc1cc(ccc1OCC2=NCCN2)F 34a_100135391359_100000737910 [0,1,1,0,0,0|1,0,0]=3 583 B18R2.73372 COCc1cc(ccc1OCC2=NCCN2)F 7a_100135391359_100000737910 [0,1,1,0,0,0|1,0,0]=3 584 B18R2.422084 CCOc1c(cccc1NCC2=NCCN2)Cl 34a_100000744310_100000737910 [0,1,1,0,0,0|2,0,0]=4 585 B18R2.422084 CCOc1c(cccc1SCC2=NCCN2)F 62a_100000737910_100010232518 [0,1,1,0,0,0|1,1,0]=4 586 B18R2.422084 CCOc1c(cccc1SCC2=NCCN2)F 62a_100010232518_100000737910 [0,1,1,0,0,0|1,1,0]=4 587 B18R2.422084 CNCc1c(cccc1SCC2=NCCN2)F 62a_100000737910_106744473292 [0,1,1,0,0,0|1,1,0]=4 588 B18R2.422084 CNCc1c(cccc1SCC2=NCCN2)F 62a_106744473292_100000737910 [0,1,1,0,0,0|1,1,0]=4 589 B18R2.6202 CC(C)c1ccccc1OCc2nccn2C 34a_100000211617_100000700302 [0,1,1,0,0,0|0,0,2]=4 590 B18R2.6202 CC(C)c1ccccc1OCc2nccn2C 7a_100000211617_100000700302 [0,1,1,0,0,0|0,0,2]=4 591 B18R2.7149 CC(C)c1ccccc1N(C)CC2=NCCN2 269982a_106256037369_100000737910 [0,1,1,0,0,0|1,0,0]=3 592 B18R2.7149 CC(C)c1ccccc1N(C)CC2=NCCN2 34a_106256037369_100000737910 [0,1,1,0,0,0|1,0,0]=3 593 B18R2.7149 CC(C)c1ccccc1N(C)CC2=NCCN2 38a_106256037369_100000737910 [0,1,1,0,0,0|1,0,0]=3 594 B18R2.14566 CC(C)(C)c1ccccc1NCC2=NCCN2 34a_100000211005_100000737910 [0,1,1,0,0,0|1,0,0]=3 595 B18R2.14566 CC(C)(C)c1ccccc1NCC2=NCCN2 7a_100000211005_100000737910 [0,1,1,0,0,0|1,0,0]=3 596 B18R2.14566 CC(C)(C)c1ccccc1OCC2=NCCN2 34a_100000211619_100000737910 [0,1,1,0,0,0|0,0,0]=2 597 B18R2.14566 CC(C)(C)c1ccccc1OCC2=NCCN2 7a_100000211619_100000737910 [0,1,1,0,0,0|0,0,0]=2 598 B18R2.14566 CC(C)(C)c1ccccc1OCc2ncc[nH]2 34a_100000211619_100016991755 [0,1,1,0,0,0|0,0,2]=4 599 B18R2.14566 CC(C)(C)c1ccccc1OCc2ncc[nH]2 7a_100000211619_100000753453 [0,1,1,0,0,0|0,0,2]=4 600 B18R2.14566 CC(C)(C)c1ccccc1OCc2nnn[nH]2 34a_100000211619_100000765167 [0,1,1,0,0,0|2,0,0]=4 601 B18R2.14566 CC(C)(C)c1ccccc1OCc2nnn[nH]2 7a_100000211619_100000765167 [0,1,1,0,0,0|2,0,0]=4 602 B18R2.14566 CC(C)(C)c1ccccc1SCC2=NCCN2 62a_100000737910_100012339570 [0,1,1,0,0,0|0,1,0]=3 603 B18R2.14566 CC(C)(C)c1ccccc1SCC2=NCCN2 62a_100012339570_100000737910 [0,1,1,0,0,0|0,1,0]=3 604 B18R2.14566 CC(C)(N)c1ccccc1SCC2=NCCN2 62a_100000737910_100020606264 [0,1,1,0,0,0|0,1,0]=3 605 B18R2.14566 CC(C)(N)c1ccccc1SCC2=NCCN2 62a_100020606264_100000737910 [0,1,1,0,0,0|0,1,0]=3 606 B18R2.14566 CC(C)(O)c1ccccc1NCC2=NCCN2 34a_100000081495_100000737910 [0,1,1,0,0,0|1,0,0]=3 607 B18R2.14566 CC(C)(O)c1ccccc1NCC2=NCCN2 7a_100000081495_100000737910 [0,1,1,0,0,0|1,0,0]=3 608 B18R2.14566 CC(C)(O)c1ccccc1SCC2=NCCN2 62a_100000737910_100011346021 [0,1,1,0,0,0|0,1,0]=3 609 B18R2.14566 CC(C)(O)c1ccccc1SCC2=NCCN2 62a_100011346021_100000737910 [0,1,1,0,0,0|0,1,0]=3 610 B18R2.14566 CC(C)(O)c1cccnc1SCC2=NCCN2 62a_100000737910_100010080783 [0,1,1,0,0,0|1,1,0]=4 611 B18R2.14566 CC(C)(O)c1cccnc1SCC2=NCCN2 62a_100010080783_100000737910 [0,1,1,0,0,0|1,1,0]=4 612 B18R2.14566 CC(C)(O)c1ncccc1SCC2=NCCN2 62a_100000737910_200010080787 [0,1,1,0,0,0|1,1,0]=4 613 B18R2.14566 CC(C)(O)c1ncccc1SCC2=NCCN2 62a_200010080787_100000737910 [0,1,1,0,0,0|1,1,0]=4 614 B18R2.14566 CC(F)(F)c1ccccc1SCC2=NCCN2 62a_100000737910_100010220483 [0,1,1,0,0,0|1,1,0]=4 615 B18R2.14566 CC(F)(F)c1ccccc1SCC2=NCCN2 62a_100010220483_100000737910 [0,1,1,0,0,0|1,1,0]=4 616 B18R2.14566 CP(=O)(C)c1ccccc1NCC2=NCCN2 34a_100010749338_100000737910 [0,1,1,0,0,0|2,0,0]=4 617 B18R2.14566 CS(=O)(=O)c1ccccc1OCC2=NCCN2 34a_100000054562_100000737910 [0,1,1,0,0,0|2,0,0]=4 618 B18R2.14566 CS(=O)(=O)c1ccccc1OCC2=NCCN2 7a_100000054562_100000737910 [0,1,1,0,0,0|2,0,0]=4 619 B18R2.14566 C[Si](C)(C)c1ccccc1OCC2=NCCN2 7a_100000095915_100000737910 [0,1,1,0,0,0|0,1,0]=3 620 B18R2.14566 FC(F)(F)c1ccccc1OCC2=NCCN2 34a_100000236976_100000737910 [0,1,1,0,0,0|2,0,0]=4 621 B18R2.14566 FC(F)(F)c1ccccc1OCC2=NCCN2 7a_100000236976_100000737910 [0,1,1,0,0,0|2,0,0]=4 622 B18R2.29411 CC(C)c1ccccc1OCc2n[nH]c(=O)[nH]2 7a_100000211617_100000754189 [0,1,1,0,0,0|1,0,1]=4 623 B18R2.39218 CC(=O)c1cccc(c1OCC2=NCCN2)C 34a_100009847209_100000737910 [0,1,1,0,0,0|1,0,1]=4 624 B18R2.39218 CC(=O)c1cccc(c1OCC2=NCCN2)C 7a_100009847209_100000737910 [0,1,1,0,0,0|1,0,1]=4 625 B18R2.39218 CC(=O)c1cccc(c1OCC2=NCCN2)Cl 34a_100000043392_100000737910 [0,1,1,0,0,0|1,0,1]=4 626 B18R2.39218 CC(=O)c1cccc(c1OCC2=NCCN2)Cl 7a_100000043392_100000737910 [0,1,1,0,0,0|1,0,1]=4 627 B18R2.39218 CC(=O)c1cccc(c1OCC2=NCCN2)F 34a_100011246037_100000737910 [0,1,1,0,0,0|1,0,1]=4 628 B18R2.39218 CC(=O)c1cccc(c1OCC2=NCCN2)F 7a_100011246037_100000737910 [0,1,1,0,0,0|1,0,1]=4 629 B18R2.39218 CC(C)c1cccc(c1NCC2=NCCN2)Br 34a_100010571509_100000737910 [0,1,1,0,0,0|1,0,0]=3 630 B18R2.39218 CC(C)c1cccc(c1NCC2=NCCN2)Br 7a_100010571509_100000737910 [0,1,1,0,0,0|1,0,0]=3 631 B18R2.39218 CC(C)c1cccc(c1NCC2=NCCN2)Cl 34a_200009958663_100000737910 [0,1,1,0,0,0|1,0,0]=3 632 B18R2.39218 CC(C)c1cccc(c1NCC2=NCCN2)Cl 7a_200009958663_100000737910 [0,1,1,0,0,0|1,0,0]=3 633 B18R2.39218 Cc1cccc(c1NCC2=NCCN2)C(C)C 34a_100138557336_100000737910 [0,1,1,0,0,0|1,0,0]=3 634 B18R2.39218 Cc1cccc(c1NCC2=NCCN2)C(C)C 7a_100138557336_100000737910 [0,1,1,0,0,0|1,0,0]=3 635 B18R2.65599 CC(=O)c1c(cccc1OCC2=NCCN2)Br 34a_100010174959_100000737910 [0,1,1,0,0,0|1,0,1]=4 636 B18R2.65599 CC(=O)c1c(cccc1OCC2=NCCN2)Br 7a_100010174959_100000737910 [0,1,1,0,0,0|1,0,1]=4 637 B18R2.65599 CC(=O)c1c(cccc1OCC2=NCCN2)C 34a_100009860897_100000737910 [0,1,1,0,0,0|1,0,1]=4 638 B18R2.65599 CC(=O)c1c(cccc1OCC2=NCCN2)C 7a_100009860897_100000737910 [0,1,1,0,0,0|1,0,1]=4 639 B18R2.65599 CC(=O)c1c(cccc1OCC2=NCCN2)Cl 34a_100000730630_100000737910 [0,1,1,0,0,0|1,0,1]=4 640 B18R2.65599 CC(=O)c1c(cccc1OCC2=NCCN2)Cl 7a_100000730630_100000737910 [0,1,1,0,0,0|1,0,1]=4 641 B18R2.65599 CC(=O)c1c(cccc1OCC2=NCCN2)F 34a_100011216272_100000737910 [0,1,1,0,0,0|1,0,1]=4 642 B18R2.65599 CC(=O)c1c(cccc1OCC2=NCCN2)F 7a_100011216272_100000737910 [0,1,1,0,0,0|1,0,1]=4 643 B18R2.65599 CC(O)c1c(cccc1SCC2=NCCN2)F 62a_100000737910_100013085324 [0,1,1,0,0,0|1,1,0]=4 644 B18R2.65599 CC(O)c1c(cccc1SCC2=NCCN2)F 62a_100013085324_100000737910 [0,1,1,0,0,0|1,1,0]=4 645 B18R2.66887 CC(=O)c1cc(ccc1OCC2=NCCN2)Br 34a_100000212127_100000737910 [0,1,1,0,0,0|1,0,1]=4 646 B18R2.66887 CC(=O)c1cc(ccc1OCC2=NCCN2)Br 7a_100000212127_100000737910 [0,1,1,0,0,0|1,0,1]=4 647 B18R2.66887 CC(=O)c1cc(ccc1OCC2=NCCN2)C 34a_100000195442_100000737910 [0,1,1,0,0,0|1,0,1]=4 648 B18R2.66887 CC(=O)c1cc(ccc1OCC2=NCCN2)C 7a_100000195442_100000737910 [0,1,1,0,0,0|1,0,1]=4 649 B18R2.66887 CC(=O)c1cc(ccc1OCC2=NCCN2)Cl 34a_100000185566_100000737910 [0,1,1,0,0,0|1,0,1]=4 650 B18R2.66887 CC(=O)c1cc(ccc1OCC2=NCCN2)Cl 7a_100000185566_100000737910 [0,1,1,0,0,0|1,0,1]=4 651 B18R2.66887 CC(=O)c1cc(ccc1OCC2=NCCN2)F 7a_100000182812_100000737910 [0,1,1,0,0,0|1,0,1]=4 652 B18R2.66887 CC(=O)c1cc(ccc1OCC2=NCCN2)I 7a_100010712555_100000737910 [0,1,1,0,0,0|1,0,1]=4 653 B18R2.66887 CC(=O)c1cc(ccc1OCC2=NCCN2)N 34a_100011218865_100000737910 [0,1,1,0,0,0|1,0,1]=4 654 B18R2.66887 CC(C)c1cc(ccc1NCC2=NCCN2)Br 34a_100000694223_100000737910 [0,1,1,0,0,0|1,0,0]=3 655 B18R2.66887 CC(C)c1cc(ccc1NCC2=NCCN2)Br 7a_100000694223_100000737910 [0,1,1,0,0,0|1,0,0]=3 656 B18R2.66887 CC(C)c1cc(ccc1NCC2=NCCN2)F 34a_100011941472_100000737910 [0,1,1,0,0,0|1,0,0]=3 657 B18R2.66887 CC(C)c1cc(ccc1NCC2=NCCN2)F 7a_100011941472_100000737910 [0,1,1,0,0,0|1,0,0]=3 658 B18R2.66887 CC(C)c1cc(ccc1OCC2=NCCN2)Br 34a_100000691460_100000737910 [0,1,1,0,0,0|0,0,0]=2 659 B18R2.66887 CC(C)c1cc(ccc1OCC2=NCCN2)Br 7a_100000691460_100000737910 [0,1,1,0,0,0|0,0,0]=2 660 B18R2.66887 CC(C)c1cc(ccc1OCc2ncc[nH]2)Br 34a_100000691460_100016991755 [0,1,1,0,0,0|0,0,2]=4 661 B18R2.66887 CC(C)c1cc(ccc1OCc2ncc[nH]2)Br 7a_100000691460_100000753453 [0,1,1,0,0,0|0,0,2]=4 662 B18R2.66887 CC(C)c1cc(ccc1OCc2nnn[nH]2)Br 34a_100000691460_100000765167 [0,1,1,0,0,0|2,0,0]=4 663 B18R2.66887 CC(C)c1cc(ccc1OCc2nnn[nH]2)Br 7a_100000691460_100000765167 [0,1,1,0,0,0|2,0,0]=4 664 B18R2.66887 CC(C)c1cc(ccc1SCC2=NCCN2)Br 62a_100000737910_100010244561 [0,1,1,0,0,0|0,1,0]=3 665 B18R2.66887 CC(C)c1cc(ccc1SCC2=NCCN2)Br 62a_100010244561_100000737910 [0,1,1,0,0,0|0,1,0]=3 666 B18R2.66887 CC(N)c1cc(ccc1SCC2=NCCN2)F 62a_100000737910_100012343209 [0,1,1,0,0,0|1,1,0]=4 667 B18R2.66887 CC(N)c1cc(ccc1SCC2=NCCN2)F 62a_100012343209_100000737910 [0,1,1,0,0,0|1,1,0]=4 668 B18R2.66887 CC(O)c1cc(ccc1OCC2=NCCN2)F 34a_200011305312_100000737910 [0,1,1,0,0,0|1,0,0]=3 669 B18R2.66887 CC(O)c1cc(ccc1OCC2=NCCN2)F 7a_200011305312_100000737910 [0,1,1,0,0,0|1,0,0]=3 670 B18R2.66887 CN(C)c1cc(ccc1SCC2=NCCN2)O 62a_100000737910_200010083878 [0,1,1,0,0,0|1,1,0]=4 671 B18R2.66887 C[C@@H](N)c1cc(ccc1OCC2=NCCN2)Cl 34a_100011853016_100000737910 [0,1,1,0,0,0|1,0,0]=3 672 B18R2.66887 C[C@@H](N)c1cc(ccc1OCC2=NCCN2)Cl 7a_100011853016_100000737910 [0,1,1,0,0,0|1,0,0]=3 673 B18R2.66887 C[C@H](N)c1cc(ccc1OCC2=NCCN2)F 34a_100160469477_100000737910 [0,1,1,0,0,0|1,0,0]=3 674 B18R2.66887 C[C@H](N)c1cc(ccc1OCC2=NCCN2)F 7a_100160469477_100000737910 [0,1,1,0,0,0|1,0,0]=3 675 B18R2.66887 C[C@H](O)c1cc(ccc1SCC2=NCCN2)F 62a_100000737910_100134768474 [0,1,1,0,0,0|1,1,0]=4 676 B18R2.66887 C[C@H](O)c1cc(ccc1SCC2=NCCN2)F 62a_100134768474_100000737910 [0,1,1,0,0,0|1,1,0]=4 677 B18R2.67047 CC(=O)c1ccc(cc1OCC2=NCCN2)Br 7a_100000188348_100000737910 [0,1,1,0,0,0|1,0,1]=4 678 B18R2.67047 CC(=O)c1ccc(cc1OCC2=NCCN2)C 34a_100000234885_100000737910 [0,1,1,0,0,0|1,0,1]=4 679 B18R2.67047 CC(=O)c1ccc(cc1OCC2=NCCN2)C 7a_100000234885_100000737910 [0,1,1,0,0,0|1,0,1]=4 680 B18R2.67047 CC(=O)c1ccc(cc1OCC2=NCCN2)Cl 34a_100000061402_100000737910 [0,1,1,0,0,0|1,0,1]=4 681 B18R2.67047 CC(=O)c1ccc(cc1OCC2=NCCN2)Cl 7a_100000061402_100000737910 [0,1,1,0,0,0|1,0,1]=4 682 B18R2.67047 CC(=O)c1ccc(cc1OCC2=NCCN2)F 7a_100011215782_100000737910 [0,1,1,0,0,0|1,0,1]=4 683 B18R2.67047 CC(C)c1ccc(cc1NCC2=NCCN2)F 34a_100012283353_100000737910 [0,1,1,0,0,0|1,0,0]=3 684 B18R2.67047 CC(C)c1ccc(cc1NCC2=NCCN2)F 7a_100012283353_100000737910 [0,1,1,0,0,0|1,0,0]=3 685 B18R2.67047 CN(C)c1ccc(cc1SCC2=NCCN2)F 62a_100000737910_100012349029 [0,1,1,0,0,0|1,1,0]=4 686 B18R2.67047 CN(C)c1ccc(cc1SCC2=NCCN2)F 62a_100012349029_100000737910 [0,1,1,0,0,0|1,1,0]=4 687 B18R2.67047 CN(C)c1ccc(cc1SCC2=NCCN2)N 62a_100000737910_100011534197 [0,1,1,0,0,0|1,1,0]=4 688 B18R2.67047 CN(C)c1ccc(cc1SCC2=NCCN2)N 62a_100011534197_100000737910 [0,1,1,0,0,0|1,1,0]=4 689 B18R2.67047 C[C@@H](N)c1ccc(cc1SCC2=NCCN2)F 62a_100000737910_100025704064 [0,1,1,0,0,0|1,1,0]=4 690 B18R2.67047 C[C@@H](N)c1ccc(cc1SCC2=NCCN2)F 62a_100025704064_100000737910 [0,1,1,0,0,0|1,1,0]=4 691 B18R2.67047 Cc1ccc(c(c1)OCC2=NCCN2)C(C)C 34a_100000185798_100000737910 [0,1,1,0,0,0|0,0,0]=2 692 B18R2.67047 Cc1ccc(c(c1)OCC2=NCCN2)C(C)C 7a_100000185798_100000737910 [0,1,1,0,0,0|0,0,0]=2 693 B18R2.67047 Cc1ccc(c(c1)OCc2ncc[nH]2)C(C)C 34a_100000185798_100016991755 [0,1,1,0,0,0|0,0,2]=4 694 B18R2.67047 Cc1ccc(c(c1)OCc2ncc[nH]2)C(C)C 7a_100000185798_100000753453 [0,1,1,0,0,0|0,0,2]=4 695 B18R2.67047 Cc1ccc(c(c1)OCc2nnn[nH]2)C(C)C 34a_100000185798_100000765167 [0,1,1,0,0,0|2,0,0]=4 696 B18R2.67047 Cc1ccc(c(c1)OCc2nnn[nH]2)C(C)C 7a_100000185798_100000765167 [0,1,1,0,0,0|2,0,0]=4 697 B18R2.67047 Cc1ccc(c(c1)SCC2=NCCN2)N(C)C 62a_100000737910_100012353700 [0,1,1,0,0,0|1,1,0]=4 698 B18R2.67047 Cc1ccc(c(c1)SCC2=NCCN2)N(C)C 62a_100012353700_100000737910 [0,1,1,0,0,0|1,1,0]=4 699 B18R2.8118 CCNC(=O)CNc1ccc(cc1C2CC2)I 34a_100010997530_100000183381 [0,1,1,0,0,0|2,0,0]=4 700 B18R2.8118 CCNC(=O)CNc1ccc(cc1C2CC2)I 7a_100010997530_100000183381 [0,1,1,0,0,0|2,0,0]=4 701 B18R2.8118 CCNC(=O)CSc1ccc(cc1C2CC2)N 62a_100000183381_100010281208 [0,1,1,0,0,0|1,1,0]=4 702 B18R2.8118 CCNC(=O)CSc1ccc(cc1C2CC2)N 62a_100010281208_100000183381 [0,1,1,0,0,0|1,1,0]=4 703 B18R2.8118 CCOC(=O)COc1ccc(cc1C2CC2)F 271570a_100011220607_200000171693 [0,1,1,0,0,0|2,0,0]=4 704 B18R2.13932 CCNC(=O)CSc1ccccc1C2(CC2)N 62a_100000183381_200000691159 [0,1,1,0,0,0|1,1,0]=4 705 B18R2.13932 CCNC(=O)CSc1ccccc1C2(CC2)N 62a_200000691159_100000183381 [0,1,1,0,0,0|1,1,0]=4 706 B18R2.81177 CCNC(=O)CNc1cccc(c1C2CC2)F 34a_100114072990_100000183381 [0,1,1,0,0,0|2,0,0]=4 707 B18R2.81177 CCNC(=O)CNc1cccc(c1C2CC2)F 7a_100114072990_100000183381 [0,1,1,0,0,0|2,0,0]=4 708 B18R2.81177 CCNC(=O)CSc1cccc(c1C2CC2)F 62a_100000183381_100010780639 [0,1,1,0,0,0|1,1,0]=4 709 B18R2.81177 CCNC(=O)CSc1cccc(c1C2CC2)F 62a_100010780639_100000183381 [0,1,1,0,0,0|1,1,0]=4 710 B18R2.123331 CCCNC(=O)CNc1ccccc1C2CC2 34a_100011236190_100000183358 [0,1,1,0,0,0|2,0,0]=4 711 B18R2.123331 CCCNC(=O)CSc1ccccc1C2CC2 62a_100000183358_100009819954 [0,1,1,0,0,0|1,1,0]=4 712 B18R2.123331 CCCNC(=O)CSc1ccccc1C2CC2 62a_100009819954_100000183358 [0,1,1,0,0,0|1,1,0]=4 713 B18R2.125863 CCN(C)C(=O)CNc1ccccc1C2CC2 34a_100011236190_100000738999 [0,1,1,0,0,0|2,0,0]=4 714 B18R2.125863 CCN(C)C(=O)CSc1ccccc1C2CC2 62a_100000738999_100009819954 [0,1,1,0,0,0|1,1,0]=4 715 B18R2.125863 CCN(C)C(=O)CSc1ccccc1C2CC2 62a_100009819954_100000738999 [0,1,1,0,0,0|1,1,0]=4 716 B18R2.142976 CCNC(=O)CC(=O)c1ccccc1C2CC2 1458a_100011688854_100000183381 [0,1,1,0,0,0|2,0,0]=4 717 B18R2.155277 CCNC(=O)C(C)Nc1ccccc1C2CC2 34a_100011236190_100000230173 [0,1,1,0,0,0|2,0,0]=4 718 B18R2.155277 CCNC(=O)C(C)Sc1ccccc1C2CC2 62a_100000230173_100009819954 [0,1,1,0,0,0|1,1,0]=4 719 B18R2.155277 CCNC(=O)C(C)Sc1ccccc1C2CC2 62a_100009819954_100000230173 [0,1,1,0,0,0|1,1,0]=4 720 B18R2.265990 CC(C)NC(=O)CNc1ccccc1C2CC2 34a_100011236190_100000183996 [0,1,1,0,0,0|2,0,0]=4 721 B18R2.265990 CC(C)NC(=O)CSc1ccccc1C2CC2 62a_100000183996_100009819954 [0,1,1,0,0,0|1,1,0]=4 722 B18R2.265990 CC(C)NC(=O)CSc1ccccc1C2CC2 62a_100009819954_100000183996 [0,1,1,0,0,0|1,1,0]=4 723 B18R2.623721 CCCC(=O)COc1c(cccc1C2CC2)Br 7a_100010664954_100000747444 [0,1,1,0,0,0|2,0,0]=4 724 B18R2.623721 CCCC(=O)COc1c(cccc1C2CC2)F 7a_100010673447_100000747444 [0,1,1,0,0,0|2,0,0]=4 725 B18R2.623721 CCNC(=O)COc1c(cccc1C2CC2)Br 34a_100010664954_100000183381 [0,1,1,0,0,0|1,0,0]=3 726 B18R2.623721 CCNC(=O)COc1c(cccc1C2CC2)Br 7a_100010664954_100000183381 [0,1,1,0,0,0|1,0,0]=3 727 B18R2.623721 CCNC(=O)COc1c(cccc1C2CC2)F 34a_100010673447_100000183381 [0,1,1,0,0,0|1,0,0]=3 728 B18R2.623721 CCNC(=O)COc1c(cccc1C2CC2)F 7a_100010673447_100000183381 [0,1,1,0,0,0|1,0,0]=3 729 B18R2.623721 CCOC(=O)COc1c(cccc1C2CC2)Br 34a_100010664954_100000188475 [0,1,1,0,0,0|2,0,0]=4 730 B18R2.623721 CCOC(=O)COc1c(cccc1C2CC2)Br 7a_100010664954_100000188475 [0,1,1,0,0,0|2,0,0]=4 731 B18R2.623721 CCOC(=O)COc1c(cccc1C2CC2)F 34a_100010673447_100000188475 [0,1,1,0,0,0|2,0,0]=4 732 B18R2.623721 CCOC(=O)COc1c(cccc1C2CC2)F 7a_100010673447_100000188475 [0,1,1,0,0,0|2,0,0]=4 733 B18R2.623721 O=C(COc1c(cccc1C2CC2)Br)NCO 34a_100010664954_100000185155 [0,1,1,0,0,0|2,0,0]=4 734 B18R2.623721 O=C(COc1c(cccc1C2CC2)Br)NCO 7a_100010664954_100000185155 [0,1,1,0,0,0|2,0,0]=4 735 B18R2.623721 O=C(COc1c(cccc1C2CC2)F)NCO 34a_100010673447_100000185155 [0,1,1,0,0,0|2,0,0]=4 736 B18R2.623721 O=C(COc1c(cccc1C2CC2)F)NCO 7a_100010673447_100000185155 [0,1,1,0,0,0|2,0,0]=4 737 B18R2.892683 CCNC(=O)CNc1cc(ccc1C2CC2)F 34a_102515433052_100000183381 [0,1,1,0,0,0|2,0,0]=4 738 B18R2.892683 CCNC(=O)CNc1cc(ccc1C2CC2)F 7a_102515433052_100000183381 [0,1,1,0,0,0|2,0,0]=4 739 B18R2.892683 CCOC(=O)COc1cc(ccc1C2CC2)F 271570a_100011220607_200012344433 [0,1,1,0,0,0|2,0,0]=4 740 B18R3.505165 Brc1cccc(c1OCC2CCC2)C3CC3 34a_100010664954_100000763275 [0,1,0,0,1,0|1,0,1]=4 741 B18R3.505165 Brc1cccc(c1OCC2CCC2)C3CC3 7a_100010664954_100000763275 [0,1,0,0,1,0|1,0,1]=4 742 B18R3.505165 Brc1cccc(c1OCC2CCO2)C3CC3 34a_100010664954_100000103362 [0,1,0,0,1,0|1,0,1]=4 743 B18R3.505165 Brc1cccc(c1OCC2CCO2)C3CC3 7a_100010664954_100000103362 [0,1,0,0,1,0|1,0,1]=4 744 B18R3.505165 Fc1cccc(c1OCC2CCC2)C3CC3 34a_100010673447_100000763275 [0,1,0,0,1,0|1,0,1]=4 745 B18R3.505165 Fc1cccc(c1OCC2CCC2)C3CC3 7a_100010673447_100000763275 [0,1,0,0,1,0|1,0,1]=4 746 B18R3.505165 Fc1cccc(c1OCC2CCO2)C3CC3 34a_100010673447_100000103362 [0,1,0,0,1,0|1,0,1]=4 747 B18R3.505165 Fc1cccc(c1OCC2CCO2)C3CC3 7a_100010673447_100000103362 [0,1,0,0,1,0|1,0,1]=4 748 B20R3.552243 O=C(c1ccccc1OCC2=NCCN2)C3CC3 34a_100010648536_100000737910 [0,1,0,0,0,1|0,0,0]=2 749 B20R3.552243 O=C(c1ccccc1OCC2=NCCN2)C3CC3 7a_100010648536_100000737910 [0,1,0,0,0,1|0,0,0]=2 750 B20R3.552243 O=C(c1ccccc1OCc2ncc[nH]2)C3CC3 34a_100010648536_100016991755 [0,1,0,0,0,1|0,0,2]=4 751 B20R3.552243 O=C(c1ccccc1OCc2ncc[nH]2)C3CC3 7a_100010648536_100000753453 [0,1,0,0,0,1|0,0,2]=4 752 B20R3.552243 O=C(c1ccccc1OCc2nnn[nH]2)C3CC3 34a_100010648536_100000765167 [0,1,0,0,0,1|2,0,0]=4 753 B20R3.552243 O=C(c1ccccc1OCc2nnn[nH]2)C3CC3 7a_100010648536_100000765167 [0,1,0,0,0,1|2,0,0]=4 754 B20R3.86133 O=c1[nH]nc([nH]1)COCc2ccccc2C3CC3 7a_100012675891_100000754189 [0,1,0,0,0,1|1,0,1]=4 755 B20R3.129493 Cn1ccnc1COCc2ccccc2C3CC3 34a_100012675891_100000700302 [0,1,0,0,0,1|0,0,2]=4 756 B20R3.129493 Cn1ccnc1COCc2ccccc2C3CC3 7a_100012675891_100000700302 [0,1,0,0,0,1|0,0,2]=4 757 B20R3.4836740 Brc1cccc(c1OCCc2nnn[nH]2)C3CC3 7a_100010664954_100000031946 [0,1,0,0,0,1|2,0,0]=4 758 B20R3.4836740 Fc1cccc(c1OCCc2nnn[nH]2)C3CC3 7a_100010673447_100000031946 [0,1,0,0,0,1|2,0,0]=4 759 B20R3.4493835 Cn1ccnc1COc2c(cccc2C3CC3)Br 34a_100010664954_100000700302 [0,2,0,0,0,0|0,0,2]=4 760 B20R3.4493835 Cn1ccnc1COc2c(cccc2C3CC3)Br 7a_100010664954_100000700302 [0,2,0,0,0,0|0,0,2]=4 761 B20R3.4493835 Cn1ccnc1COc2c(cccc2C3CC3)F 34a_100010673447_100000700302 [0,2,0,0,0,0|0,0,2]=4 762 B20R3.4493835 Cn1ccnc1COc2c(cccc2C3CC3)F 7a_100010673447_100000700302 [0,2,0,0,0,0|0,0,2]=4 763 B20R3.12349537 O=c1[nH]nc([nH]1)COc2c(cccc2C3CC3)Br 7a_100010664954_100000754189 [0,2,0,0,0,0|1,0,1]=4 764 B20R3.12349537 O=c1[nH]nc([nH]1)COc2c(cccc2C3CC3)F 7a_100010673447_100000754189 [0,2,0,0,0,0|1,0,1]=4 765 B20R3.49499 N#CC1(CC1)c2ccccc2SCC3=NCCN3 62a_100000707477_100000737910 [0,2,0,0,0,0|0,1,0]=3 766 B20R3.49499 N#CC1(CC1)c2ccccc2SCC3=NCCN3 62a_100000737910_100000707477 [0,2,0,0,0,0|0,1,0]=3 767 B16R1.694 CCCC(=O)COc1ccccc1CCC 7a_100011217252_100000747444 [0,0,2,0,0,0|2,0,0]=4 768 B16R1.694 CCCc1ccccc1NCC(=O)NCC 2230a_100000737634_100000183381 [0,0,2,0,0,0|2,0,0]=4 769 B16R1.694 CCCc1ccccc1NCC(=O)NCC 34a_100000737634_100000183381 [0,0,2,0,0,0|2,0,0]=4 770 B16R1.694 CCCc1ccccc1NCC(=O)NCC 7a_100000737634_100000183381 [0,0,2,0,0,0|2,0,0]=4 771 B16R1.694 CCCc1ccccc1OCC(=O)NCC 34a_100011217252_100000183381 [0,0,2,0,0,0|1,0,0]=3 772 B16R1.694 CCCc1ccccc1OCC(=O)NCC 7a_100011217252_100000183381 [0,0,2,0,0,0|1,0,0]=3 773 B16R1.694 CCCc1ccccc1OCC(=O)NCO 34a_100011217252_100000185155 [0,0,2,0,0,0|2,0,0]=4 774 B16R1.694 CCCc1ccccc1OCC(=O)NCO 7a_100011217252_100000185155 [0,0,2,0,0,0|2,0,0]=4 775 B16R1.694 CCCc1ccccc1OCC(=O)OCC 34a_100011217252_100000188475 [0,0,2,0,0,0|2,0,0]=4 776 B16R1.694 CCCc1ccccc1OCC(=O)OCC 7a_100011217252_100000188475 [0,0,2,0,0,0|2,0,0]=4 777 B16R1.694 CCNC(=O)COc1ccccc1CCBr 34a_100000722297_100000183381 [0,0,2,0,0,0|2,0,0]=4 778 B16R1.694 CCNC(=O)COc1ccccc1CCBr 7a_100000722297_100000183381 [0,0,2,0,0,0|2,0,0]=4 779 B16R1.694 CCNC(=O)COc1ccccc1CCN 34a_100011207237_100000183381 [0,0,2,0,0,0|2,0,0]=4 780 B16R1.694 CCNC(=O)COc1ccccc1CCO 34a_100000719421_100000183381 [0,0,2,0,0,0|2,0,0]=4 781 B16R1.694 CCNC(=O)COc1ccccc1CCO 7a_100000719421_100000183381 [0,0,2,0,0,0|2,0,0]=4 782 B16R1.694 CCNC(=O)COc1ccccc1CNC 34a_100015189988_100000183381 [0,0,2,0,0,0|2,0,0]=4 783 B16R1.694 CCNC(=O)COc1ccccc1COC 34a_100011488565_100000183381 [0,0,2,0,0,0|2,0,0]=4 784 B16R1.694 CCNC(=O)COc1ccccc1COC 7a_100011488565_100000183381 [0,0,2,0,0,0|2,0,0]=4 785 B16R1.694 CCNC(=O)COc1ccccc1NCC 34a_103624766699_100000183381 [0,0,2,0,0,0|2,0,0]=4 786 B16R1.694 CCNC(=O)COc1ccccc1NCC 7a_103624766699_100000183381 [0,0,2,0,0,0|2,0,0]=4 787 B16R1.694 CCNC(=O)COc1ccccc1OCC 11a_100015525214_100000182497 [0,0,2,0,0,0|2,0,0]=4 788 B16R1.694 CCNC(=O)COc1ccccc1OCC 240690a_100015525214_100000182497 [0,0,2,0,0,0|2,0,0]=4 789 B16R1.694 CCNC(=O)COc1ccccc1OCC 34a_100000211404_100000183381 [0,0,2,0,0,0|2,0,0]=4 790 B16R1.694 CCNC(=O)COc1ccccc1OCC 527a_100015525214_100000182497 [0,0,2,0,0,0|2,0,0]=4 791 B16R1.694 CCNC(=O)COc1ccccc1OCC 7a_100000211404_100000183381 [0,0,2,0,0,0|2,0,0]=4 792 B16R1.3900 CC(C)c1ccccc1OCCNCCF 2230a_100000754683_100011217306 [0,0,2,0,0,0|1,0,1]=4 793 B16R1.3900 CC(C)c1ccccc1OCCNCCF 34a_100000754683_100011217306 [0,0,2,0,0,0|1,0,1]=4 794 B16R1.3900 CC(C)c1ccccc1OCCNCCO 2230a_100000754683_100000211926 [0,0,2,0,0,0|1,0,1]=4 795 B16R1.3900 CC(C)c1ccccc1OCCNCCO 34a_100000754683_100000211926 [0,0,2,0,0,0|1,0,1]=4 796 B16R1.3900 CCCNCCOc1ccccc1C(C)C 2230a_100000754683_100000210303 [0,0,2,0,0,0|1,0,1]=4 797 B16R1.3900 CCCNCCOc1ccccc1C(C)C 34a_100000754683_100000210303 [0,0,2,0,0,0|1,0,1]=4 798 B16R1.4440 CC(C)c1ccccc1OCC(=O)NCO 34a_100000211617_100000185155 [0,0,2,0,0,0|2,0,0]=4 799 B16R1.4440 CC(C)c1ccccc1OCC(=O)NCO 7a_100000211617_100000185155 [0,0,2,0,0,0|2,0,0]=4 800 B16R1.4440 CCCC(=O)COc1ccccc1C(C)C 1458a_100000183894_100000210303 [0,0,2,0,0,0|2,0,0]=4 801 B16R1.4440 CCCC(=O)COc1ccccc1C(C)C 7a_100000211617_100000747444 [0,0,2,0,0,0|2,0,0]=4 802 B16R1.4440 CCNC(=O)CNc1ccccc1C(C)C 2230a_100000210643_100000183381 [0,0,2,0,0,0|2,0,0]=4 803 B16R1.4440 CCNC(=O)CNc1ccccc1C(C)C 34a_100000210643_100000183381 [0,0,2,0,0,0|2,0,0]=4 804 B16R1.4440 CCNC(=O)CNc1ccccc1C(C)C 7a_100000210643_100000183381 [0,0,2,0,0,0|2,0,0]=4 805 B16R1.4440 CCNC(=O)COc1ccccc1C(C)C 11a_100015525214_100000183894 [0,0,2,0,0,0|1,0,0]=3 806 B16R1.4440 CCNC(=O)COc1ccccc1C(C)C 240690a_100015525214_100000183894 [0,0,2,0,0,0|1,0,0]=3 807 B16R1.4440 CCNC(=O)COc1ccccc1C(C)C 34a_100000211617_100000183381 [0,0,2,0,0,0|1,0,0]=3 808 B16R1.4440 CCNC(=O)COc1ccccc1C(C)C 527a_100015525214_100000183894 [0,0,2,0,0,0|1,0,0]=3 809 B16R1.4440 CCNC(=O)COc1ccccc1C(C)C 7a_100000211617_100000183381 [0,0,2,0,0,0|1,0,0]=3 810 B16R1.4440 CCNC(=O)COc1ccccc1C(C)O 34a_200011232679_100000183381 [0,0,2,0,0,0|2,0,0]=4 811 B16R1.4440 CCNC(=O)COc1ccccc1C(C)O 7a_200011232679_100000183381 [0,0,2,0,0,0|2,0,0]=4 812 B16R1.4440 CCNC(=O)COc1ccccc1[C@@H](C)N 34a_100025703389_100000183381 [0,0,2,0,0,0|2,0,0]=4 813 B16R1.4440 CCNC(=O)COc1cccnc1C(C)C 34a_100012183336_100000183381 [0,0,2,0,0,0|2,0,0]=4 814 B16R1.4440 CCNC(=O)COc1cccnc1C(C)C 7a_100012183336_100000183381 [0,0,2,0,0,0|2,0,0]=4 815 B16R1.4440 CCNC(=O)CSc1ccccc1C(C)C 62a_100000183381_100000708600 [0,0,2,0,0,0|1,1,0]=4 816 B16R1.4440 CCNC(=O)CSc1ccccc1C(C)C 62a_100000708600_100000183381 [0,0,2,0,0,0|1,1,0]=4 817 B16R1.4440 CCOC(=O)COc1ccccc1C(C)C 34a_100000211617_100000188475 [0,0,2,0,0,0|2,0,0]=4 818 B16R1.4440 CCOC(=O)COc1ccccc1C(C)C 7a_100000211617_100000188475 [0,0,2,0,0,0|2,0,0]=4 819 B16R1.4440 CNNC(=O)COc1ccccc1C(C)C 22a_100016993582_100000183894 [0,0,2,0,0,0|2,0,0]=4 820 B18R3.12721 c1cc(c2c(c1)OCC2)NCC3=NCCN3 34a_100000084147_100000737910 [0,0,1,1,0,0|2,0,0]=4 821 B18R3.12721 c1cc(c2c(n1)CCC2)SCC3=NCCN3 62a_100000102697_100000737910 [0,0,1,1,0,0|1,1,0]=4 822 B18R3.12721 c1cc(c2c(n1)CCC2)SCC3=NCCN3 62a_100000737910_100000102697 [0,0,1,1,0,0|1,1,0]=4 823 B18R3.12721 c1cc2c(c(c1)NCC3=NCCN3)CCC2 34a_100000043548_100000737910 [0,0,1,1,0,0|1,0,0]=3 824 B18R3.12721 c1cc2c(c(c1)NCC3=NCCN3)COC2 34a_100000125316_100000737910 [0,0,1,1,0,0|2,0,0]=4 825 B18R3.12721 c1cc2c(c(c1)NCC3=NCCN3)OCC2 34a_100000102157_100000737910 [0,0,1,1,0,0|2,0,0]=4 826 B18R3.12721 c1cc2c(c(c1)OCC3=NCCN3)CCC2 34a_100000074356_100000737910 [0,0,1,1,0,0|0,0,0]=2 827 B18R3.12721 c1cc2c(c(c1)OCC3=NCCN3)CCC2 7a_100000074356_100000737910 [0,0,1,1,0,0|0,0,0]=2 828 B18R3.12721 c1cc2c(c(c1)OCC3=NCCN3)CCN2 34a_100000703684_100000737910 [0,0,1,1,0,0|1,0,0]=3 829 B18R3.12721 c1cc2c(c(c1)OCC3=NCCN3)CCO2 34a_100000090053_100000737910 [0,0,1,1,0,0|1,0,0]=3 830 B18R3.12721 c1cc2c(c(c1)OCC3=NCCN3)CCO2 7a_100000090053_100000737910 [0,0,1,1,0,0|1,0,0]=3 831 B18R3.12721 c1cc2c(c(c1)OCC3=NCCN3)CNC2 34a_100015191671_100000737910 [0,0,1,1,0,0|1,0,0]=3 832 B18R3.12721 c1cc2c(c(c1)OCC3=NCCN3)OCO2 34a_100000046630_100000737910 [0,0,1,1,0,0|2,0,0]=4 833 B18R3.12721 c1cc2c(c(c1)OCC3=NCCN3)OCO2 7a_100000046630_100000737910 [0,0,1,1,0,0|2,0,0]=4 834 B18R3.12721 c1cc2c(c(c1)OCc3ncc[nH]3)CCC2 34a_100000074356_100016991755 [0,0,1,1,0,0|0,0,2]=4 835 B18R3.12721 c1cc2c(c(c1)OCc3ncc[nH]3)CCC2 7a_100000074356_100000753453 [0,0,1,1,0,0|0,0,2]=4 836 B18R3.12721 c1cc2c(c(c1)OCc3nnn[nH]3)CCC2 34a_100000074356_100000765167 [0,0,1,1,0,0|2,0,0]=4 837 B18R3.12721 c1cc2c(c(c1)OCc3nnn[nH]3)CCC2 7a_100000074356_100000765167 [0,0,1,1,0,0|2,0,0]=4 838 B18R3.12721 c1cc2c(c(c1)SCC3=NCCN3)CCC2 62a_100000737910_100010343934 [0,0,1,1,0,0|0,1,0]=3 839 B18R3.12721 c1cc2c(c(c1)SCC3=NCCN3)CCC2 62a_100010343934_100000737910 [0,0,1,1,0,0|0,1,0]=3 840 B18R3.12721 c1cc2c(c(c1)SCC3=NCCN3)CCN2 62a_100000737910_100009817896 [0,0,1,1,0,0|1,1,0]=4 841 B18R3.12721 c1cc2c(c(c1)SCC3=NCCN3)CCN2 62a_100009817896_100000737910 [0,0,1,1,0,0|1,1,0]=4 842 B18R3.12721 c1cc2c(c(c1)SCC3=NCCN3)CCO2 62a_100000737910_100009819624 [0,0,1,1,0,0|1,1,0]=4 843 B18R3.12721 c1cc2c(c(c1)SCC3=NCCN3)CCO2 62a_100009819624_100000737910 [0,0,1,1,0,0|1,1,0]=4 844 B18R3.12721 c1cc2c(c(c1)SCC3=NCCN3)CNC2 62a_100000703859_100000737910 [0,0,1,1,0,0|1,1,0]=4 845 B18R3.12721 c1cc2c(c(c1)SCC3=NCCN3)CNC2 62a_100000737910_100000703859 [0,0,1,1,0,0|1,1,0]=4 846 B18R3.12721 c1cc2c(c(c1)SCC3=NCCN3)COC2 62a_100000737910_100010384907 [0,0,1,1,0,0|1,1,0]=4 847 B18R3.12721 c1cc2c(c(c1)SCC3=NCCN3)COC2 62a_100010384907_100000737910 [0,0,1,1,0,0|1,1,0]=4 848 B18R3.12721 c1cc2c(c(c1)SCC3=NCCN3)NCC2 62a_100000737910_100016995435 [0,0,1,1,0,0|1,1,0]=4 849 B18R3.12721 c1cc2c(c(c1)SCC3=NCCN3)NCC2 62a_100016995435_100000737910 [0,0,1,1,0,0|1,1,0]=4 850 B18R3.12721 c1cc2c(c(c1)SCC3=NCCN3)OCC2 62a_100000737910_100009818991 [0,0,1,1,0,0|1,1,0]=4 851 B18R3.12721 c1cc2c(c(c1)SCC3=NCCN3)OCC2 62a_100009818991_100000737910 [0,0,1,1,0,0|1,1,0]=4 852 B16R2.28409 CCCc1ccccc1OCC2CCC2 34a_100011217252_100000763275 [0,0,1,0,1,0|1,0,1]=4 853 B16R2.28409 CCCc1ccccc1OCC2CCC2 7a_100011217252_100000763275 [0,0,1,0,1,0|1,0,1]=4 854 B16R2.28409 CCCc1ccccc1OCC2CCO2 34a_100011217252_100000103362 [0,0,1,0,1,0|1,0,1]=4 855 B16R2.28409 CCCc1ccccc1OCC2CCO2 7a_100011217252_100000103362 [0,0,1,0,1,0|1,0,1]=4 856 B16R2.27531 CC(C)c1ccccc1OCC2CCC2 34a_100000211617_100000763275 [0,0,1,0,1,0|1,0,1]=4 857 B16R2.27531 CC(C)c1ccccc1OCC2CCC2 7a_100000211617_100000763275 [0,0,1,0,1,0|1,0,1]=4 858 B16R2.27531 CC(C)c1ccccc1OCC2CCO2 34a_100000211617_100000103362 [0,0,1,0,1,0|1,0,1]=4 859 B16R2.27531 CC(C)c1ccccc1OCC2CCO2 7a_100000211617_100000103362 [0,0,1,0,1,0|1,0,1]=4 860 B16R2.29977 CCNC(=O)Cc1ccccc1C2CC2 271570a_100011220607_200009816148 [0,0,1,0,1,0|1,0,0]=3 861 B16R2.29977 CCNC(=O)Nc1ccccc1C2CC2 2430a_100011236190_100015525214 [0,0,1,0,1,0|2,0,0]=4 862 B16R2.29977 CCOC(=O)Cc1ccccc1C2CC2 271570a_100011220607_100011218996 [0,0,1,0,1,0|2,0,0]=4 863 B16R3.1766 C1=C(CCC1)c2ccccc2C3CC3 271570a_100000089523_100009819954 [0,0,0,0,2,0|2,0,0]=4 864 B16R3.1766 c1ccc(c(c1)C2CC2)C3CCCN3 271570a_100011220607_100000686366 [0,0,0,0,2,0|1,0,1]=4 865 B16R3.1766 c1ccc(c(c1)c2ncc[nH]2)C3CC3 271570a_100010231911_100025796157 [0,0,0,0,2,0|0,0,2]=4 866 B16R3.1766 c1ccc(c(c1)c2ncc[nH]2)C3CC3 271570a_100011220607_100011532729 [0,0,0,0,2,0|0,0,2]=4 867 B16R3.1766 c1ccc(c(c1)c2ncc[nH]2)C3CC3 271570a_100016988920_100009819954 [0,0,0,0,2,0|0,0,2]=4 868 B16R3.1766 c1ccc(c(c1)c2nnn[nH]2)C3CC3 271570a_100011220607_100000184712 [0,0,0,0,2,0|2,0,0]=4 869 B16R3.6481 c1cc(c(cn1)C2CC2)OCC3CC3 271570a_100011220607_100012942238 [0,0,0,0,2,0|1,0,1]=4 870 B16R3.6481 c1ccc(c(c1)NCC2CC2)C3CC3 34a_100011236190_100000742324 [0,0,0,0,2,0|1,0,1]=4 871 B16R3.6481 c1ccc(c(c1)OCC2CC2)C3CC3 271570a_100011220607_100011316338 [0,0,0,0,2,0|0,0,1]=3 872 B16R3.6481 c1ccc(c(c1)SCC2CC2)C3CC3 62a_100000756562_100009819954 [0,0,0,0,2,0|0,1,1]=4 873 B16R3.6481 c1ccc(c(c1)SCC2CC2)C3CC3 62a_100009819954_100000742324 [0,0,0,0,2,0|0,1,1]=4 874 B16R3.6481 c1cnc(c(c1)C2CC2)OCC3CC3 271570a_100011220607_100011465199 [0,0,0,0,2,0|1,0,1]=4 875 B18R2.7551 CCCc1ccccc1OCCc2nnn[nH]2 7a_100011217252_100000031946 [0,0,1,0,0,1|2,0,0]=4 876 B18R2.7551 CCOc1ccccc1COCC2=NCCN2 34a_100000708577_100000737910 [0,0,1,0,0,1|1,0,0]=3 877 B18R2.7551 CCOc1ccccc1COCC2=NCCN2 7a_100000708577_100000737910 [0,0,1,0,0,1|1,0,0]=3 878 B18R2.7145 CC(C)c1ccccc1OCCc2nnn[nH]2 7a_100000211617_100000031946 [0,0,1,0,0,1|2,0,0]=4 879 B18R2.7145 CC(C)c1cccnc1COCC2=NCCN2 34a_200009878718_100000737910 [0,0,1,0,0,1|1,0,0]=3 880 B18R2.7145 CC(C)c1cccnc1CSCC2=NCCN2 62a_100000737910_200134614246 [0,0,1,0,0,1|1,1,0]=4 881 B18R2.7145 CC(C)c1cccnc1CSCC2=NCCN2 62a_200134614246_100000737910 [0,0,1,0,0,1|1,1,0]=4 882 B18R2.81159 CCNC(=O)CSc1ccccc1OC2CC2 62a_100000183381_100012344913 [0,0,1,0,0,1|1,1,0]=4 883 B18R2.81159 CCNC(=O)CSc1ccccc1OC2CC2 62a_100012344913_100000183381 [0,0,1,0,0,1|1,1,0]=4 884 B18R2.81159 CCOC(=O)COc1ccccc1SC2CC2 62a_100000174061_100000211595 [0,0,1,0,0,1|2,0,0]=4 885 B18R3.36591 c1cc(cc(c1)C2CC2)NCC3=NCCN3 34a_100025755985_100000737910 [0,0,0,0,1,1|1,0,0]=3 886 B18R3.36591 c1cc(cc(c1)C2CC2)NCC3=NCCN3 7a_100025755985_100000737910 [0,0,0,0,1,1|1,0,0]=3 887 B18R3.36591 c1cc(cc(c1)C2CC2)OCC3=NCCN3 34a_100011787725_100000737910 [0,0,0,0,1,1|0,0,0]=2 888 B18R3.36591 c1cc(cc(c1)C2CC2)OCC3=NCCN3 7a_100011787725_100000737910 [0,0,0,0,1,1|0,0,0]=2 889 B18R3.36591 c1cc(cc(c1)C2CC2)OCc3ncc[nH]3 34a_100011787725_100016991755 [0,0,0,0,1,1|0,0,2]=4 890 B18R3.36591 c1cc(cc(c1)C2CC2)OCc3ncc[nH]3 7a_100011787725_100000753453 [0,0,0,0,1,1|0,0,2]=4 891 B18R3.36591 c1cc(cc(c1)C2CC2)OCc3nnn[nH]3 34a_100011787725_100000765167 [0,0,0,0,1,1|2,0,0]=4 892 B18R3.36591 c1cc(cc(c1)C2CC2)OCc3nnn[nH]3 7a_100011787725_100000765167 [0,0,0,0,1,1|2,0,0]=4 893 B18R3.36591 c1cc(cc(c1)C2CC2)SCC3=NCCN3 62a_100000737910_100009816567 [0,0,0,0,1,1|0,1,0]=3 894 B18R3.36591 c1cc(cc(n1)C2CC2)SCC3=NCCN3 62a_100000737910_100009820009 [0,0,0,0,1,1|1,1,0]=4 895 B18R3.36591 c1cc(cc(n1)C2CC2)SCC3=NCCN3 62a_100009820009_100000737910 [0,0,0,0,1,1|1,1,0]=4 896 B18R3.36591 c1cc(cc(n1)SCC2=NCCN2)C3CC3 62a_100000737910_100009863080 [0,0,0,0,1,1|1,1,0]=4 897 B18R3.36591 c1cc(nc(n1)C2CC2)SCC3=NCCN3 62a_100000737910_100000754726 [0,0,0,0,1,1|1,1,0]=4 898 B18R3.36591 c1cc(nc(n1)C2CC2)SCC3=NCCN3 62a_100000754726_100000737910 [0,0,0,0,1,1|1,1,0]=4 899 B18R3.36591 c1cc(nc(n1)SCC2=NCCN2)C3CC3 62a_100000737910_100012000534 [0,0,0,0,1,1|1,1,0]=4 900 B18R3.36591 c1cc(nc(n1)SCC2=NCCN2)C3CC3 62a_100012000534_100000737910 [0,0,0,0,1,1|1,1,0]=4 901 B18R3.36591 c1ncc(cc1SCC2=NCCN2)C3CC3 62a_100000737910_200009866503 [0,0,0,0,1,1|1,1,0]=4 902 B18R3.36591 c1ncc(cc1SCC2=NCCN2)C3CC3 62a_200009866503_100000737910 [0,0,0,0,1,1|1,1,0]=4 903 B20R3.105095 c1ccc(c(c1)NCC2=NCCN2)C3OCCO3 34a_100009840632_100000737910 [0,0,0,0,0,2|1,0,0]=3 904 B20R3.105095 c1ccc(c(c1)NCC2=NCCN2)C3OCCO3 7a_100009840632_100000737910 [0,0,0,0,0,2|1,0,0]=3 905 B20R3.105095 c1ccc(c(c1)NCC2=NCCN2)N3CCCC3 34a_100000185233_100000737910 [0,0,0,0,0,2|2,0,0]=4 906 B20R3.105095 c1ccc(c(c1)OCC2=NCCN2)C3CCCC3 34a_100000032629_100000737910 [0,0,0,0,0,2|0,0,0]=2 907 B20R3.105095 c1ccc(c(c1)OCC2=NCCN2)C3CCCC3 7a_100000032629_100000737910 [0,0,0,0,0,2|0,0,0]=2 908 B20R3.105095 c1ccc(c(c1)OCc2ncc[nH]2)C3CCCC3 34a_100000032629_100016991755 [0,0,0,0,0,2|0,0,2]=4 909 B20R3.105095 c1ccc(c(c1)OCc2ncc[nH]2)C3CCCC3 7a_100000032629_100000753453 [0,0,0,0,0,2|0,0,2]=4 910 B20R3.105095 c1ccc(c(c1)OCc2nnn[nH]2)C3CCCC3 34a_100000032629_100000765167 [0,0,0,0,0,2|2,0,0]=4 911 B20R3.105095 c1ccc(c(c1)OCc2nnn[nH]2)C3CCCC3 7a_100000032629_100000765167 [0,0,0,0,0,2|2,0,0]=4 912 B20R3.105095 c1ccc(c(c1)SCC2=NCCN2)C3CCCN3 62a_100000686366_100000737910 [0,0,0,0,0,2|0,1,0]=3 913 B20R3.105095 c1ccc(c(c1)SCC2=NCCN2)C3CCCN3 62a_100000737910_100000686366 [0,0,0,0,0,2|0,1,0]=3 914 B20R3.105095 c1ccc(c(c1)SCC2=NCCN2)C3CCNC3 62a_100000737910_100010170462 [0,0,0,0,0,2|0,1,0]=3 915 B20R3.105095 c1ccc(c(c1)SCC2=NCCN2)C3OCCO3 62a_100000737910_100009814316 [0,0,0,0,0,2|0,1,0]=3 916 B20R3.105095 c1ccc(c(c1)SCC2=NCCN2)N3CCCC3 62a_100000737910_100011821364 [0,0,0,0,0,2|1,1,0]=4 917 B20R3.105095 c1ccc(c(c1)SCC2=NCCN2)N3CCCC3 62a_100011821364_100000737910 [0,0,0,0,0,2|1,1,0]=4 918 B20R3.30046 c1cc(c(cn1)SCC2=NCCN2)OCC3CC3 62a_100000737910_100012942238 [0,0,0,0,0,2|1,1,0]=4 919 B20R3.30046 c1cc(c(cn1)SCC2=NCCN2)OCC3CC3 62a_100012942238_100000737910 [0,0,0,0,0,2|1,1,0]=4 920 B20R3.30046 c1ccc(c(c1)OCC2CC2)SCC3=NCCN3 62a_100000737910_100011316338 [0,0,0,0,0,2|0,1,0]=3 921 B20R3.30046 c1ccc(c(c1)OCC2CC2)SCC3=NCCN3 62a_100011316338_100000737910 [0,0,0,0,0,2|0,1,0]=3 922 B20R3.30046 c1cnc(c(c1)SCC2=NCCN2)OCC3CC3 62a_100000737910_100011465199 [0,0,0,0,0,2|1,1,0]=4 923 B20R3.30046 c1cnc(c(c1)SCC2=NCCN2)OCC3CC3 62a_100011465199_100000737910 [0,0,0,0,0,2|1,1,0]=4 924 B20R3.105090 c1ccc(c(c1)COCCc2nnn[nH]2)C3CC3 7a_100012675891_100000031946 [0,0,0,0,0,2|2,0,0]=4