0 B19R3.19255 C(=CC1CCCCC1)c2cc3ccccc3[nH]2 271570a_100016283615_100010232065 [0,0,0,0,0,0|3,0,1]=4 1 B19R3.19255 C(=CC1CCCCC1)c2cn3ccccc3n2 271570a_100016283615_100009819586 [0,0,0,0,0,0|4,0,0]=4 2 B19R3.19255 C(=CC1CCCCC1)c2nc3ccccc3[nH]2 271570a_100016283615_100009814255 [0,0,0,0,0,0|3,0,0]=3 3 B19R3.19255 C(=CC1CCCCC1)c2nc3ccccc3s2 271570a_100016283615_100000751744 [0,0,0,0,0,0|2,0,0]=2 4 B19R3.19255 C(=CC1CCCCC1)c2nc3cccnc3s2 271570a_100016283615_100010188088 [0,0,0,0,0,0|3,0,0]=3 5 B19R3.19255 C(=Cc1nc2ccccc2s1)C3=CCCCC3 271570a_100000069214_100000751744 [0,0,0,0,0,0|2,0,2]=4 6 B19R3.19255 C1=CC(CCC1)NCc2cc3ccccc3s2 2230a_100015187092_100000751183 [0,0,0,0,0,0|2,0,2]=4 7 B19R3.19255 C1=CC(CCC1)OCc2nc3ccccc3s2 34a_100011215024_100011217541 [0,0,0,0,0,0|2,0,2]=4 8 B19R3.19255 C1=CC(CCC1)SCc2nc3ccccc3s2 62a_100000751183_100000766747 [0,0,0,0,0,0|2,0,2]=4 9 B19R3.19255 C1=CC(CCC1)SCc2nc3ccccc3s2 62a_100011217541_100000751183 [0,0,0,0,0,0|2,0,2]=4 10 B19R3.19255 C1=CCC(CC1)OCc2nc3ccccc3s2 34a_100000073881_100011217541 [0,0,0,0,0,0|2,0,2]=4 11 B19R3.19255 c1cc2[nH]c(cc2cn1)CNC3CCCCC3 270004a_100025703177_100000210434 [0,0,0,0,0,0|3,0,1]=4 12 B19R3.19255 c1cc2cc([nH]c2cn1)CNC3CCCCC3 270004a_100000182618_200000084276 [0,0,0,0,0,0|3,0,1]=4 13 B19R3.19255 c1cc2oc(cc2cn1)CNC3CCCCC3 207a_100000182618_100009860033 [0,0,0,0,0,0|3,1,0]=4 14 B19R3.19255 c1cc2oc(cc2cn1)CNC3CCCCC3 270004a_100000182618_100009860033 [0,0,0,0,0,0|3,1,0]=4 15 B19R3.19255 c1cc2sc(cc2cn1)CNC3CCCCC3 207a_100000182618_100000054438 [0,0,0,0,0,0|3,0,0]=3 16 B19R3.19255 c1cc2sc(cc2cn1)CNC3CCCCC3 270004a_100000182618_100000054438 [0,0,0,0,0,0|3,0,0]=3 17 B19R3.19255 c1cc2sc(cc2cn1)CNC3CCCOC3 207a_100000719290_100000054438 [0,0,0,0,0,0|4,0,0]=4 18 B19R3.19255 c1cc2sc(cc2cn1)CNC3CCCOC3 270004a_100000719290_100000054438 [0,0,0,0,0,0|4,0,0]=4 19 B19R3.19255 c1cc2sc(cc2cn1)CNC3CCOCC3 207a_100000741149_100000054438 [0,0,0,0,0,0|4,0,0]=4 20 B19R3.19255 c1cc2sc(cc2cn1)CNC3CCOCC3 270004a_100000741149_100000054438 [0,0,0,0,0,0|4,0,0]=4 21 B19R3.19255 c1cc2sc(cc2cn1)CNC3CCSCC3 207a_100000748639_100000054438 [0,0,0,0,0,0|4,0,0]=4 22 B19R3.19255 c1cc2sc(cc2cn1)CNC3CCSCC3 270004a_100000748639_100000054438 [0,0,0,0,0,0|4,0,0]=4 23 B19R3.19255 c1ccc2[nH]c(cc2c1)CNC3CCCCC3 270004a_100000182618_100000051030 [0,0,0,0,0,0|2,0,1]=3 24 B19R3.19255 c1ccc2[nH]c(cc2c1)CNC3CCCCC3 270004a_100015204011_100000210434 [0,0,0,0,0,0|2,0,1]=3 25 B19R3.19255 c1ccc2[nH]c(cc2c1)CNC3CCCOC3 270004a_100000719290_100000051030 [0,0,0,0,0,0|3,0,1]=4 26 B19R3.19255 c1ccc2[nH]c(cc2c1)CNC3CCCOC3 270004a_100015204011_100000753404 [0,0,0,0,0,0|3,0,1]=4 27 B19R3.19255 c1ccc2[nH]c(cc2c1)CNC3CCCSC3 270004a_100015204011_100000057913 [0,0,0,0,0,0|3,0,1]=4 28 B19R3.19255 c1ccc2[nH]c(cc2c1)CNC3CCNCC3 270004a_100015204011_100015192401 [0,0,0,0,0,0|3,0,1]=4 29 B19R3.19255 c1ccc2[nH]c(cc2c1)CNC3CCOCC3 270004a_100000741149_100000051030 [0,0,0,0,0,0|3,0,1]=4 30 B19R3.19255 c1ccc2[nH]c(cc2c1)CNC3CCOCC3 270004a_100015204011_100011217826 [0,0,0,0,0,0|3,0,1]=4 31 B19R3.19255 c1ccc2[nH]c(cc2c1)CNC3CCSCC3 270004a_100000748639_100000051030 [0,0,0,0,0,0|3,0,1]=4 32 B19R3.19255 c1ccc2[nH]c(cc2c1)CNC3CCSCC3 270004a_100015204011_100000203788 [0,0,0,0,0,0|3,0,1]=4 33 B19R3.19255 c1ccc2[nH]c(cc2c1)SCC3CCCCC3 62a_100000211423_100010232065 [0,0,0,0,0,0|2,0,1]=3 34 B19R3.19255 c1ccc2[nH]c(cc2c1)SCC3CCCCO3 62a_100000211543_100010232065 [0,0,0,0,0,0|3,0,1]=4 35 B19R3.19255 c1ccc2[nH]c(cc2c1)SCC3CCCOC3 62a_100000741521_100010232065 [0,0,0,0,0,0|3,0,1]=4 36 B19R3.19255 c1ccc2[nH]c(cc2c1)SCC3CCOCC3 62a_100000754603_100010232065 [0,0,0,0,0,0|3,0,1]=4 37 B19R3.19255 c1ccc2[nH]c(nc2c1)CNC3CCCCC3 207a_100000182618_100000185668 [0,0,0,0,0,0|2,0,0]=2 38 B19R3.19255 c1ccc2[nH]c(nc2c1)CNC3CCCCC3 2230a_100000182618_100000737899 [0,0,0,0,0,0|2,0,0]=2 39 B19R3.19255 c1ccc2[nH]c(nc2c1)CNC3CCCCC3 270004a_100000182618_100000185668 [0,0,0,0,0,0|2,0,0]=2 40 B19R3.19255 c1ccc2[nH]c(nc2c1)CNC3CCCCC3 270004a_100000729406_100000210434 [0,0,0,0,0,0|2,0,0]=2 41 B19R3.19255 c1ccc2[nH]c(nc2c1)CNC3CCCOC3 207a_100000719290_100000185668 [0,0,0,0,0,0|3,0,0]=3 42 B19R3.19255 c1ccc2[nH]c(nc2c1)CNC3CCCOC3 2230a_100000719290_100000737899 [0,0,0,0,0,0|3,0,0]=3 43 B19R3.19255 c1ccc2[nH]c(nc2c1)CNC3CCCOC3 270004a_100000719290_100000185668 [0,0,0,0,0,0|3,0,0]=3 44 B19R3.19255 c1ccc2[nH]c(nc2c1)CNC3CCCOC3 270004a_100000729406_100000753404 [0,0,0,0,0,0|3,0,0]=3 45 B19R3.19255 c1ccc2[nH]c(nc2c1)CNC3CCCSC3 270004a_100000729406_100000057913 [0,0,0,0,0,0|3,0,0]=3 46 B19R3.19255 c1ccc2[nH]c(nc2c1)CNC3CCNCC3 270004a_100000729406_100015192401 [0,0,0,0,0,0|3,0,0]=3 47 B19R3.19255 c1ccc2[nH]c(nc2c1)CNC3CCOCC3 207a_100000741149_100000185668 [0,0,0,0,0,0|3,0,0]=3 48 B19R3.19255 c1ccc2[nH]c(nc2c1)CNC3CCOCC3 2230a_100000741149_100000737899 [0,0,0,0,0,0|3,0,0]=3 49 B19R3.19255 c1ccc2[nH]c(nc2c1)CNC3CCOCC3 270004a_100000729406_100011217826 [0,0,0,0,0,0|3,0,0]=3 50 B19R3.19255 c1ccc2[nH]c(nc2c1)CNC3CCOCC3 270004a_100000741149_100000185668 [0,0,0,0,0,0|3,0,0]=3 51 B19R3.19255 c1ccc2[nH]c(nc2c1)CNC3CCSCC3 207a_100000748639_100000185668 [0,0,0,0,0,0|3,0,0]=3 52 B19R3.19255 c1ccc2[nH]c(nc2c1)CNC3CCSCC3 2230a_100000748639_100000737899 [0,0,0,0,0,0|3,0,0]=3 53 B19R3.19255 c1ccc2[nH]c(nc2c1)CNC3CCSCC3 270004a_100000729406_100000203788 [0,0,0,0,0,0|3,0,0]=3 54 B19R3.19255 c1ccc2[nH]c(nc2c1)CNC3CCSCC3 270004a_100000748639_100000185668 [0,0,0,0,0,0|3,0,0]=3 55 B19R3.19255 c1ccc2[nH]c(nc2c1)COC3CCCCC3 7a_100000210231_100000737899 [0,0,0,0,0,0|3,0,0]=3 56 B19R3.19255 c1ccc2[nH]c(nc2c1)COC3CCCSC3 7a_100015962668_100000737899 [0,0,0,0,0,0|4,0,0]=4 57 B19R3.19255 c1ccc2[nH]c(nc2c1)COC3CCSCC3 7a_100000731022_100000737899 [0,0,0,0,0,0|4,0,0]=4 58 B19R3.19255 c1ccc2[nH]c(nc2c1)CSC3CCCCC3 62a_100000210327_100000737899 [0,0,0,0,0,0|3,0,0]=3 59 B19R3.19255 c1ccc2[nH]c(nc2c1)NCC3CCCCC3 27a_100000210473_100009814255 [0,0,0,0,0,0|3,0,0]=3 60 B19R3.19255 c1ccc2[nH]c(nc2c1)NCC3CCCCO3 27a_100000174945_100009814255 [0,0,0,0,0,0|4,0,0]=4 61 B19R3.19255 c1ccc2[nH]c(nc2c1)NCC3CCCOC3 27a_100000720124_100009814255 [0,0,0,0,0,0|4,0,0]=4 62 B19R3.19255 c1ccc2[nH]c(nc2c1)NCC3CCOCC3 27a_100000746373_100009814255 [0,0,0,0,0,0|4,0,0]=4 63 B19R3.19255 c1ccc2[nH]c(nc2c1)NCC3CCSCC3 27a_100015188806_100009814255 [0,0,0,0,0,0|4,0,0]=4 64 B19R3.19255 c1ccc2[nH]c(nc2c1)NN=C3CCCCC3 4a_100000188875_100000210434 [0,0,0,0,0,0|2,0,2]=4 65 B19R3.19255 c1ccc2[nH]c(nc2c1)SCC3CCCCC3 62a_100000211423_100009814255 [0,0,0,0,0,0|2,0,0]=2 66 B19R3.19255 c1ccc2[nH]c(nc2c1)SCC3CCCCO3 62a_100000211543_100009814255 [0,0,0,0,0,0|3,0,0]=3 67 B19R3.19255 c1ccc2[nH]c(nc2c1)SCC3CCCOC3 62a_100000741521_100009814255 [0,0,0,0,0,0|3,0,0]=3 68 B19R3.19255 c1ccc2[nH]c(nc2c1)SCC3CCOCC3 62a_100000754603_100009814255 [0,0,0,0,0,0|3,0,0]=3 69 B19R3.19255 c1ccc2c(c1)CC(=NNC3CCCCC3)C2 4a_100000709804_100000211675 [0,0,0,0,0,0|3,0,0]=3 70 B19R3.19255 c1ccc2c(c1)CC(=NNC3CCOCC3)C2 4a_100000687383_100000211675 [0,0,0,0,0,0|4,0,0]=4 71 B19R3.19255 c1ccc2c(c1)CC(C2)CNC3CCCCC3 270004a_100000757167_100000210434 [0,0,0,0,0,0|3,0,1]=4 72 B19R3.19255 c1ccc2c(c1)CC(C2)CNC3CCCCC3 34a_100000757167_100000210327 [0,0,0,0,0,0|3,0,1]=4 73 B19R3.19255 c1ccc2c(c1)CC(C2)SCC3CCCCC3 62a_100000211423_100000753484 [0,0,0,0,0,0|3,0,1]=4 74 B19R3.19255 c1ccc2c(c1)CC(O2)CNC3CCCCC3 270004a_100015207006_100000210434 [0,0,0,0,0,0|2,1,1]=4 75 B19R3.19255 c1ccc2c(c1)CC(O2)CNC3CCCCC3 34a_100015207006_100000210327 [0,0,0,0,0,0|2,1,1]=4 76 B19R3.19255 c1ccc2oc(cc2c1)CNC3CCCCC3 207a_100000182618_100000229944 [0,0,0,0,0,0|2,1,0]=3 77 B19R3.19255 c1ccc2oc(cc2c1)CNC3CCCCC3 270004a_100000182618_100000229944 [0,0,0,0,0,0|2,1,0]=3 78 B19R3.19255 c1ccc2oc(cc2c1)CNC3CCCCC3 270004a_100011220112_100000210434 [0,0,0,0,0,0|2,1,0]=3 79 B19R3.19255 c1ccc2oc(cc2c1)CNC3CCCOC3 207a_100000719290_100000229944 [0,0,0,0,0,0|3,1,0]=4 80 B19R3.19255 c1ccc2oc(cc2c1)CNC3CCCOC3 270004a_100000719290_100000229944 [0,0,0,0,0,0|3,1,0]=4 81 B19R3.19255 c1ccc2oc(cc2c1)CNC3CCCOC3 270004a_100011220112_100000753404 [0,0,0,0,0,0|3,1,0]=4 82 B19R3.19255 c1ccc2oc(cc2c1)CNC3CCCSC3 270004a_100011220112_100000057913 [0,0,0,0,0,0|3,1,0]=4 83 B19R3.19255 c1ccc2oc(cc2c1)CNC3CCNCC3 270004a_100011220112_100015192401 [0,0,0,0,0,0|3,1,0]=4 84 B19R3.19255 c1ccc2oc(cc2c1)CNC3CCOCC3 207a_100000741149_100000229944 [0,0,0,0,0,0|3,1,0]=4 85 B19R3.19255 c1ccc2oc(cc2c1)CNC3CCOCC3 270004a_100000741149_100000229944 [0,0,0,0,0,0|3,1,0]=4 86 B19R3.19255 c1ccc2oc(cc2c1)CNC3CCOCC3 270004a_100011220112_100011217826 [0,0,0,0,0,0|3,1,0]=4 87 B19R3.19255 c1ccc2oc(cc2c1)CNC3CCSCC3 207a_100000748639_100000229944 [0,0,0,0,0,0|3,1,0]=4 88 B19R3.19255 c1ccc2oc(cc2c1)CNC3CCSCC3 270004a_100000748639_100000229944 [0,0,0,0,0,0|3,1,0]=4 89 B19R3.19255 c1ccc2oc(cc2c1)CNC3CCSCC3 270004a_100011220112_100000203788 [0,0,0,0,0,0|3,1,0]=4 90 B19R3.19255 c1ccc2oc(cc2c1)COC3CCCCC3 34a_100000233474_100000210327 [0,0,0,0,0,0|3,1,0]=4 91 B19R3.19255 c1ccc2oc(cc2c1)COC3CCCCC3 7a_100000233474_100000210327 [0,0,0,0,0,0|3,1,0]=4 92 B19R3.19255 c1ccc2oc(cc2c1)SCC3CCCCO3 62a_100000211543_100010159458 [0,0,0,0,0,0|3,1,0]=4 93 B19R3.19255 c1ccc2oc(cc2c1)SCC3CCCOC3 62a_100000741521_100010159458 [0,0,0,0,0,0|3,1,0]=4 94 B19R3.19255 c1ccc2oc(cc2c1)SCC3CCOCC3 62a_100000754603_100010159458 [0,0,0,0,0,0|3,1,0]=4 95 B19R3.19255 c1ccc2oc(nc2c1)CNC3CCCCC3 2230a_100000182618_100000195508 [0,0,0,0,0,0|1,1,0]=2 96 B19R3.19255 c1ccc2oc(nc2c1)CNC3CCCCC3 270004a_100000733820_100000210434 [0,0,0,0,0,0|1,1,0]=2 97 B19R3.19255 c1ccc2oc(nc2c1)CNC3CCCCC3 34a_100000182618_200012361514 [0,0,0,0,0,0|1,1,0]=2 98 B19R3.19255 c1ccc2oc(nc2c1)CNC3CCCOC3 2230a_100000719290_100000195508 [0,0,0,0,0,0|2,1,0]=3 99 B19R3.19255 c1ccc2oc(nc2c1)CNC3CCCOC3 270004a_100000733820_100000753404 [0,0,0,0,0,0|2,1,0]=3 100 B19R3.19255 c1ccc2oc(nc2c1)CNC3CCCOC3 34a_100000719290_200012361514 [0,0,0,0,0,0|2,1,0]=3 101 B19R3.19255 c1ccc2oc(nc2c1)CNC3CCCSC3 270004a_100000733820_100000057913 [0,0,0,0,0,0|2,1,0]=3 102 B19R3.19255 c1ccc2oc(nc2c1)CNC3CCNCC3 270004a_100000733820_100015192401 [0,0,0,0,0,0|2,1,0]=3 103 B19R3.19255 c1ccc2oc(nc2c1)CNC3CCOCC3 2230a_100000741149_100000195508 [0,0,0,0,0,0|2,1,0]=3 104 B19R3.19255 c1ccc2oc(nc2c1)CNC3CCOCC3 270004a_100000733820_100011217826 [0,0,0,0,0,0|2,1,0]=3 105 B19R3.19255 c1ccc2oc(nc2c1)CNC3CCOCC3 34a_100000741149_200012361514 [0,0,0,0,0,0|2,1,0]=3 106 B19R3.19255 c1ccc2oc(nc2c1)CNC3CCSCC3 2230a_100000748639_100000195508 [0,0,0,0,0,0|2,1,0]=3 107 B19R3.19255 c1ccc2oc(nc2c1)CNC3CCSCC3 270004a_100000733820_100000203788 [0,0,0,0,0,0|2,1,0]=3 108 B19R3.19255 c1ccc2oc(nc2c1)CNC3CCSCC3 34a_100000748639_200012361514 [0,0,0,0,0,0|2,1,0]=3 109 B19R3.19255 c1ccc2oc(nc2c1)COC3CCCCC3 34a_100000210231_200012361514 [0,0,0,0,0,0|2,1,0]=3 110 B19R3.19255 c1ccc2oc(nc2c1)COC3CCCCC3 7a_100000210231_100000195508 [0,0,0,0,0,0|2,1,0]=3 111 B19R3.19255 c1ccc2oc(nc2c1)COC3CCCCO3 34a_100000033831_200012361514 [0,0,0,0,0,0|3,1,0]=4 112 B19R3.19255 c1ccc2oc(nc2c1)COC3CCCOC3 34a_100000754041_200012361514 [0,0,0,0,0,0|3,1,0]=4 113 B19R3.19255 c1ccc2oc(nc2c1)COC3CCCSC3 7a_100015962668_100000195508 [0,0,0,0,0,0|3,1,0]=4 114 B19R3.19255 c1ccc2oc(nc2c1)COC3CCOCC3 34a_100000744328_200012361514 [0,0,0,0,0,0|3,1,0]=4 115 B19R3.19255 c1ccc2oc(nc2c1)COC3CCSCC3 34a_100000731022_200012361514 [0,0,0,0,0,0|3,1,0]=4 116 B19R3.19255 c1ccc2oc(nc2c1)COC3CCSCC3 7a_100000731022_100000195508 [0,0,0,0,0,0|3,1,0]=4 117 B19R3.19255 c1ccc2oc(nc2c1)CSC3CCCCC3 62a_100000210327_100000195508 [0,0,0,0,0,0|2,1,0]=3 118 B19R3.19255 c1ccc2oc(nc2c1)NN=C3CCCCC3 4a_100000182307_100000210434 [0,0,0,0,0,0|1,1,2]=4 119 B19R3.19255 c1ccc2sc(cc2c1)CNC3CCCCC3 207a_100000182618_100000686906 [0,0,0,0,0,0|2,0,0]=2 120 B19R3.19255 c1ccc2sc(cc2c1)CNC3CCCCC3 270004a_100000182618_100000686906 [0,0,0,0,0,0|2,0,0]=2 121 B19R3.19255 c1ccc2sc(cc2c1)CNC3CCCCC3 270004a_100015187092_100000210434 [0,0,0,0,0,0|2,0,0]=2 122 B19R3.19255 c1ccc2sc(cc2c1)CNC3CCCOC3 207a_100000719290_100000686906 [0,0,0,0,0,0|3,0,0]=3 123 B19R3.19255 c1ccc2sc(cc2c1)CNC3CCCOC3 270004a_100000719290_100000686906 [0,0,0,0,0,0|3,0,0]=3 124 B19R3.19255 c1ccc2sc(cc2c1)CNC3CCCOC3 270004a_100015187092_100000753404 [0,0,0,0,0,0|3,0,0]=3 125 B19R3.19255 c1ccc2sc(cc2c1)CNC3CCCSC3 270004a_100015187092_100000057913 [0,0,0,0,0,0|3,0,0]=3 126 B19R3.19255 c1ccc2sc(cc2c1)CNC3CCNCC3 270004a_100015187092_100015192401 [0,0,0,0,0,0|3,0,0]=3 127 B19R3.19255 c1ccc2sc(cc2c1)CNC3CCOCC3 207a_100000741149_100000686906 [0,0,0,0,0,0|3,0,0]=3 128 B19R3.19255 c1ccc2sc(cc2c1)CNC3CCOCC3 270004a_100000741149_100000686906 [0,0,0,0,0,0|3,0,0]=3 129 B19R3.19255 c1ccc2sc(cc2c1)CNC3CCOCC3 270004a_100015187092_100011217826 [0,0,0,0,0,0|3,0,0]=3 130 B19R3.19255 c1ccc2sc(cc2c1)CNC3CCSCC3 207a_100000748639_100000686906 [0,0,0,0,0,0|3,0,0]=3 131 B19R3.19255 c1ccc2sc(cc2c1)CNC3CCSCC3 270004a_100000748639_100000686906 [0,0,0,0,0,0|3,0,0]=3 132 B19R3.19255 c1ccc2sc(cc2c1)CNC3CCSCC3 270004a_100015187092_100000203788 [0,0,0,0,0,0|3,0,0]=3 133 B19R3.19255 c1ccc2sc(cc2c1)SCC3CCCCO3 62a_100000211543_100009816949 [0,0,0,0,0,0|3,0,0]=3 134 B19R3.19255 c1ccc2sc(cc2c1)SCC3CCCOC3 62a_100000741521_100009816949 [0,0,0,0,0,0|3,0,0]=3 135 B19R3.19255 c1ccc2sc(cc2c1)SCC3CCOCC3 62a_100000754603_100009816949 [0,0,0,0,0,0|3,0,0]=3 136 B19R3.19255 c1ccc2sc(nc2c1)CNC3CCCCC3 2230a_100000182618_100000766747 [0,0,0,0,0,0|1,0,0]=1 137 B19R3.19255 c1ccc2sc(nc2c1)CNC3CCCCC3 270004a_100000182618_100011204187 [0,0,0,0,0,0|1,0,0]=1 138 B19R3.19255 c1ccc2sc(nc2c1)CNC3CCCCC3 34a_100000182618_100011217541 [0,0,0,0,0,0|1,0,0]=1 139 B19R3.19255 c1ccc2sc(nc2c1)CNC3CCCOC3 2230a_100000719290_100000766747 [0,0,0,0,0,0|2,0,0]=2 140 B19R3.19255 c1ccc2sc(nc2c1)CNC3CCCOC3 270004a_100000719290_100011204187 [0,0,0,0,0,0|2,0,0]=2 141 B19R3.19255 c1ccc2sc(nc2c1)CNC3CCCOC3 34a_100000719290_100011217541 [0,0,0,0,0,0|2,0,0]=2 142 B19R3.19255 c1ccc2sc(nc2c1)CNC3CCOCC3 2230a_100000741149_100000766747 [0,0,0,0,0,0|2,0,0]=2 143 B19R3.19255 c1ccc2sc(nc2c1)CNC3CCOCC3 270004a_100000741149_100011204187 [0,0,0,0,0,0|2,0,0]=2 144 B19R3.19255 c1ccc2sc(nc2c1)CNC3CCOCC3 34a_100000741149_100011217541 [0,0,0,0,0,0|2,0,0]=2 145 B19R3.19255 c1ccc2sc(nc2c1)CNC3CCSCC3 2230a_100000748639_100000766747 [0,0,0,0,0,0|2,0,0]=2 146 B19R3.19255 c1ccc2sc(nc2c1)CNC3CCSCC3 270004a_100000748639_100011204187 [0,0,0,0,0,0|2,0,0]=2 147 B19R3.19255 c1ccc2sc(nc2c1)CNC3CCSCC3 34a_100000748639_100011217541 [0,0,0,0,0,0|2,0,0]=2 148 B19R3.19255 c1ccc2sc(nc2c1)COC3CCCCC3 34a_100000210231_100011217541 [0,0,0,0,0,0|2,0,0]=2 149 B19R3.19255 c1ccc2sc(nc2c1)COC3CCCCC3 7a_100000210231_100011217541 [0,0,0,0,0,0|2,0,0]=2 150 B19R3.19255 c1ccc2sc(nc2c1)COC3CCCCO3 34a_100000033831_100011217541 [0,0,0,0,0,0|3,0,0]=3 151 B19R3.19255 c1ccc2sc(nc2c1)COC3CCCOC3 34a_100000754041_100011217541 [0,0,0,0,0,0|3,0,0]=3 152 B19R3.19255 c1ccc2sc(nc2c1)COC3CCCSC3 7a_100015962668_100011217541 [0,0,0,0,0,0|3,0,0]=3 153 B19R3.19255 c1ccc2sc(nc2c1)COC3CCOCC3 34a_100000744328_100011217541 [0,0,0,0,0,0|3,0,0]=3 154 B19R3.19255 c1ccc2sc(nc2c1)COC3CCSCC3 34a_100000731022_100011217541 [0,0,0,0,0,0|3,0,0]=3 155 B19R3.19255 c1ccc2sc(nc2c1)COC3CCSCC3 7a_100000731022_100011217541 [0,0,0,0,0,0|3,0,0]=3 156 B19R3.19255 c1ccc2sc(nc2c1)CSC3CCCCC3 62a_100000210327_100000766747 [0,0,0,0,0,0|2,0,0]=2 157 B19R3.19255 c1ccc2sc(nc2c1)CSC3CCCCC3 62a_100011217541_100000210327 [0,0,0,0,0,0|2,0,0]=2 158 B19R3.19255 c1ccc2sc(nc2c1)CSC3CCCOC3 62a_100011217541_100000693364 [0,0,0,0,0,0|3,0,0]=3 159 B19R3.19255 c1ccc2sc(nc2c1)CSC3CCOCC3 62a_100011217541_100011324220 [0,0,0,0,0,0|3,0,0]=3 160 B19R3.19255 c1ccc2sc(nc2c1)CSC3CCSCC3 62a_100011217541_100000069128 [0,0,0,0,0,0|3,0,0]=3 161 B19R3.19255 c1ccc2sc(nc2c1)NCC3CCCCC3 27a_100000210473_100000751744 [0,0,0,0,0,0|2,0,0]=2 162 B19R3.19255 c1ccc2sc(nc2c1)NCC3CCCCO3 27a_100000174945_100000751744 [0,0,0,0,0,0|3,0,0]=3 163 B19R3.19255 c1ccc2sc(nc2c1)NCC3CCCOC3 27a_100000720124_100000751744 [0,0,0,0,0,0|3,0,0]=3 164 B19R3.19255 c1ccc2sc(nc2c1)NCC3CCOCC3 27a_100000746373_100000751744 [0,0,0,0,0,0|3,0,0]=3 165 B19R3.19255 c1ccc2sc(nc2c1)NCC3CCSCC3 27a_100015188806_100000751744 [0,0,0,0,0,0|3,0,0]=3 166 B19R3.19255 c1ccc2sc(nc2c1)NC[C@H]3COCCO3 27a_100010981119_100000751744 [0,0,0,0,0,0|4,0,0]=4 167 B19R3.19255 c1ccc2sc(nc2c1)NN=C3CCCCC3 4a_100000181811_100000210434 [0,0,0,0,0,0|1,0,2]=3 168 B19R3.19255 c1ccc2sc(nc2c1)NN=C3CCCOC3 4a_100000181811_100000753404 [0,0,0,0,0,0|2,0,2]=4 169 B19R3.19255 c1ccc2sc(nc2c1)NN=C3CCCSC3 4a_100000181811_100000057913 [0,0,0,0,0,0|2,0,2]=4 170 B19R3.19255 c1ccc2sc(nc2c1)NN=C3CCOCC3 4a_100000181811_100011217826 [0,0,0,0,0,0|2,0,2]=4 171 B19R3.19255 c1ccc2sc(nc2c1)NN=C3CCSCC3 4a_100000181811_100000203788 [0,0,0,0,0,0|2,0,2]=4 172 B19R3.19255 c1ccc2sc(nc2c1)SCC3CCCCC3 62a_100000211423_100000751744 [0,0,0,0,0,0|1,0,0]=1 173 B19R3.19255 c1ccc2sc(nc2c1)SCC3CCCCO3 62a_100000211543_100000751744 [0,0,0,0,0,0|2,0,0]=2 174 B19R3.19255 c1ccc2sc(nc2c1)SCC3CCCOC3 62a_100000741521_100000751744 [0,0,0,0,0,0|2,0,0]=2 175 B19R3.19255 c1ccc2sc(nc2c1)SCC3CCOCC3 62a_100000754603_100000751744 [0,0,0,0,0,0|2,0,0]=2 176 B19R3.19255 c1ccn2cc(nc2c1)CNC3CCCCC3 207a_100000182618_100000743146 [0,0,0,0,0,0|3,0,0]=3 177 B19R3.19255 c1ccn2cc(nc2c1)CNC3CCCCC3 2230a_100000182618_100000689847 [0,0,0,0,0,0|3,0,0]=3 178 B19R3.19255 c1ccn2cc(nc2c1)CNC3CCCCC3 270004a_100000195574_100000210434 [0,0,0,0,0,0|3,0,0]=3 179 B19R3.19255 c1ccn2cc(nc2c1)CNC3CCCCC3 34a_100000182618_100000689847 [0,0,0,0,0,0|3,0,0]=3 180 B19R3.19255 c1ccn2cc(nc2c1)CNC3CCCOC3 207a_100000719290_100000743146 [0,0,0,0,0,0|4,0,0]=4 181 B19R3.19255 c1ccn2cc(nc2c1)CNC3CCCOC3 2230a_100000719290_100000689847 [0,0,0,0,0,0|4,0,0]=4 182 B19R3.19255 c1ccn2cc(nc2c1)CNC3CCCOC3 270004a_100000195574_100000753404 [0,0,0,0,0,0|4,0,0]=4 183 B19R3.19255 c1ccn2cc(nc2c1)CNC3CCCOC3 34a_100000719290_100000689847 [0,0,0,0,0,0|4,0,0]=4 184 B19R3.19255 c1ccn2cc(nc2c1)CNC3CCCSC3 270004a_100000195574_100000057913 [0,0,0,0,0,0|4,0,0]=4 185 B19R3.19255 c1ccn2cc(nc2c1)CNC3CCNCC3 270004a_100000195574_100015192401 [0,0,0,0,0,0|4,0,0]=4 186 B19R3.19255 c1ccn2cc(nc2c1)CNC3CCOCC3 207a_100000741149_100000743146 [0,0,0,0,0,0|4,0,0]=4 187 B19R3.19255 c1ccn2cc(nc2c1)CNC3CCOCC3 2230a_100000741149_100000689847 [0,0,0,0,0,0|4,0,0]=4 188 B19R3.19255 c1ccn2cc(nc2c1)CNC3CCOCC3 270004a_100000195574_100011217826 [0,0,0,0,0,0|4,0,0]=4 189 B19R3.19255 c1ccn2cc(nc2c1)CNC3CCOCC3 34a_100000741149_100000689847 [0,0,0,0,0,0|4,0,0]=4 190 B19R3.19255 c1ccn2cc(nc2c1)CNC3CCSCC3 207a_100000748639_100000743146 [0,0,0,0,0,0|4,0,0]=4 191 B19R3.19255 c1ccn2cc(nc2c1)CNC3CCSCC3 2230a_100000748639_100000689847 [0,0,0,0,0,0|4,0,0]=4 192 B19R3.19255 c1ccn2cc(nc2c1)CNC3CCSCC3 270004a_100000195574_100000203788 [0,0,0,0,0,0|4,0,0]=4 193 B19R3.19255 c1ccn2cc(nc2c1)CNC3CCSCC3 34a_100000748639_100000689847 [0,0,0,0,0,0|4,0,0]=4 194 B19R3.19255 c1ccn2cc(nc2c1)COC3CCCCC3 34a_100000210231_100000689847 [0,0,0,0,0,0|4,0,0]=4 195 B19R3.19255 c1ccn2cc(nc2c1)COC3CCCCC3 7a_100000210231_100000689847 [0,0,0,0,0,0|4,0,0]=4 196 B19R3.19255 c1ccn2cc(nc2c1)CSC3CCCCC3 62a_100000210327_100000689847 [0,0,0,0,0,0|4,0,0]=4 197 B19R3.19255 c1ccn2cc(nc2c1)CSC3CCCCC3 62a_100000689847_100000210327 [0,0,0,0,0,0|4,0,0]=4 198 B19R3.19255 c1ccn2cc(nc2c1)SCC3CCCCC3 62a_100000211423_100009819586 [0,0,0,0,0,0|3,0,0]=3 199 B19R3.19255 c1ccn2cc(nc2c1)SCC3CCCCO3 62a_100000211543_100009819586 [0,0,0,0,0,0|4,0,0]=4 200 B19R3.19255 c1ccn2cc(nc2c1)SCC3CCCOC3 62a_100000741521_100009819586 [0,0,0,0,0,0|4,0,0]=4 201 B19R3.19255 c1ccn2cc(nc2c1)SCC3CCOCC3 62a_100000754603_100009819586 [0,0,0,0,0,0|4,0,0]=4 202 B19R3.19255 c1cn2cc(nc2cn1)CNC3CCCCC3 2230a_100000182618_100000089004 [0,0,0,0,0,0|4,0,0]=4 203 B19R3.19255 c1cn2nc(nc2cn1)SCC3CCCCC3 62a_100000211423_100010748104 [0,0,0,0,0,0|4,0,0]=4 204 B19R3.19255 c1cn2nc(nc2cn1)SCC3CCCCC3 62a_100010748104_100000211423 [0,0,0,0,0,0|4,0,0]=4 205 B19R3.19255 c1cnc2[nH]c(cc2c1)CNC3CCCCC3 207a_100000182618_100000088027 [0,0,0,0,0,0|3,0,1]=4 206 B19R3.19255 c1cnc2[nH]c(cc2c1)CNC3CCCCC3 270004a_100000182618_100000088027 [0,0,0,0,0,0|3,0,1]=4 207 B19R3.19255 c1cnc2[nH]c(cc2c1)SCC3CCCCC3 62a_100000211423_100010079843 [0,0,0,0,0,0|3,0,1]=4 208 B19R3.19255 c1cnc2[nH]c(nc2c1)CNC3CCCCC3 2230a_100000182618_100011549802 [0,0,0,0,0,0|3,0,0]=3 209 B19R3.19255 c1cnc2[nH]c(nc2c1)CNC3CCCOC3 2230a_100000719290_100011549802 [0,0,0,0,0,0|4,0,0]=4 210 B19R3.19255 c1cnc2[nH]c(nc2c1)CNC3CCOCC3 2230a_100000741149_100011549802 [0,0,0,0,0,0|4,0,0]=4 211 B19R3.19255 c1cnc2[nH]c(nc2c1)CNC3CCSCC3 2230a_100000748639_100011549802 [0,0,0,0,0,0|4,0,0]=4 212 B19R3.19255 c1cnc2[nH]c(nc2c1)COC3CCCCC3 7a_100000210231_100011549802 [0,0,0,0,0,0|4,0,0]=4 213 B19R3.19255 c1cnc2[nH]c(nc2c1)CSC3CCCCC3 62a_100011549802_100000210327 [0,0,0,0,0,0|4,0,0]=4 214 B19R3.19255 c1cnc2cc(oc2c1)CNC3CCCCC3 207a_100000182618_100000104172 [0,0,0,0,0,0|3,1,0]=4 215 B19R3.19255 c1cnc2cc(oc2c1)CNC3CCCCC3 270004a_100000182618_100000104172 [0,0,0,0,0,0|3,1,0]=4 216 B19R3.19255 c1cnc2nc(cn2c1)CNC3CCCCC3 270004a_100025705072_100000210434 [0,0,0,0,0,0|4,0,0]=4 217 B19R3.19255 c1cnc2nc(oc2c1)CNC3CCCCC3 2230a_100000182618_100000696355 [0,0,0,0,0,0|2,1,0]=3 218 B19R3.19255 c1cnc2nc(oc2c1)CNC3CCCOC3 2230a_100000719290_100000696355 [0,0,0,0,0,0|3,1,0]=4 219 B19R3.19255 c1cnc2nc(oc2c1)CNC3CCOCC3 2230a_100000741149_100000696355 [0,0,0,0,0,0|3,1,0]=4 220 B19R3.19255 c1cnc2nc(oc2c1)CNC3CCSCC3 2230a_100000748639_100000696355 [0,0,0,0,0,0|3,1,0]=4 221 B19R3.19255 c1cnc2nc(oc2c1)COC3CCCCC3 7a_100000210231_100000696355 [0,0,0,0,0,0|3,1,0]=4 222 B19R3.19255 c1cnc2nc(oc2c1)CSC3CCCCC3 62a_100000210327_100000696355 [0,0,0,0,0,0|3,1,0]=4 223 B19R3.19255 c1cnc2sc(cc2c1)CNC3CCCCC3 207a_100000182618_100000050461 [0,0,0,0,0,0|3,0,0]=3 224 B19R3.19255 c1cnc2sc(cc2c1)CNC3CCCCC3 270004a_100000182618_100000050461 [0,0,0,0,0,0|3,0,0]=3 225 B19R3.19255 c1cnc2sc(cc2c1)CNC3CCCOC3 207a_100000719290_100000050461 [0,0,0,0,0,0|4,0,0]=4 226 B19R3.19255 c1cnc2sc(cc2c1)CNC3CCCOC3 270004a_100000719290_100000050461 [0,0,0,0,0,0|4,0,0]=4 227 B19R3.19255 c1cnc2sc(cc2c1)CNC3CCOCC3 207a_100000741149_100000050461 [0,0,0,0,0,0|4,0,0]=4 228 B19R3.19255 c1cnc2sc(cc2c1)CNC3CCOCC3 270004a_100000741149_100000050461 [0,0,0,0,0,0|4,0,0]=4 229 B19R3.19255 c1cnc2sc(cc2c1)CNC3CCSCC3 207a_100000748639_100000050461 [0,0,0,0,0,0|4,0,0]=4 230 B19R3.19255 c1cnc2sc(cc2c1)CNC3CCSCC3 270004a_100000748639_100000050461 [0,0,0,0,0,0|4,0,0]=4 231 B19R3.19255 c1cnc2sc(nc2c1)NCC3CCCCC3 27a_100000210473_100010188088 [0,0,0,0,0,0|3,0,0]=3 232 B19R3.19255 c1cnc2sc(nc2c1)NCC3CCCCO3 27a_100000174945_100010188088 [0,0,0,0,0,0|4,0,0]=4 233 B19R3.19255 c1cnc2sc(nc2c1)NCC3CCCOC3 27a_100000720124_100010188088 [0,0,0,0,0,0|4,0,0]=4 234 B19R3.19255 c1cnc2sc(nc2c1)NCC3CCOCC3 27a_100000746373_100010188088 [0,0,0,0,0,0|4,0,0]=4 235 B19R3.19255 c1cnc2sc(nc2c1)NCC3CCSCC3 27a_100015188806_100010188088 [0,0,0,0,0,0|4,0,0]=4 236 B19R3.19255 c1cnc2sc(nc2c1)SCC3CCCCC3 62a_100000211423_100010188088 [0,0,0,0,0,0|2,0,0]=2 237 B19R3.19255 c1cnc2sc(nc2c1)SCC3CCCCC3 62a_100010188088_100000211423 [0,0,0,0,0,0|2,0,0]=2 238 B19R3.19255 c1cnc2sc(nc2c1)SCC3CCCCO3 62a_100000211543_100010188088 [0,0,0,0,0,0|3,0,0]=3 239 B19R3.19255 c1cnc2sc(nc2c1)SCC3CCCCO3 62a_100010188088_100000211543 [0,0,0,0,0,0|3,0,0]=3 240 B19R3.19255 c1cnc2sc(nc2c1)SCC3CCCOC3 62a_100000741521_100010188088 [0,0,0,0,0,0|3,0,0]=3 241 B19R3.19255 c1cnc2sc(nc2c1)SCC3CCCOC3 62a_100010188088_100000741521 [0,0,0,0,0,0|3,0,0]=3 242 B19R3.19255 c1cnc2sc(nc2c1)SCC3CCOCC3 62a_100000754603_100010188088 [0,0,0,0,0,0|3,0,0]=3 243 B19R3.19255 c1cnc2sc(nc2c1)SCC3CCOCC3 62a_100010188088_100000749018 [0,0,0,0,0,0|3,0,0]=3 244 B19R3.19255 c1cnn2cc(nc2c1)SCC3CCCCC3 62a_100000211423_200010296001 [0,0,0,0,0,0|4,0,0]=4 245 B19R3.19255 c1cnn2cc(nc2c1)SCC3CCCCC3 62a_200010296001_100000211423 [0,0,0,0,0,0|4,0,0]=4 246 B20R3.277 Brc1c(sc2c1cccc2)CNC3CCCOC3 207a_100000719290_100009816528 [0,1,0,0,0,0|3,0,0]=4 247 B20R3.277 Brc1c(sc2c1cccc2)CNC3CCOCC3 207a_100000741149_100009816528 [0,1,0,0,0,0|3,0,0]=4 248 B20R3.277 Brc1c(sc2c1cccc2)CNC3CCSCC3 207a_100000748639_100009816528 [0,1,0,0,0,0|3,0,0]=4 249 B20R3.277 Cc1c([nH]c2c1cccc2)CNC3CCCCC3 270004a_100000182618_100000066550 [0,1,0,0,0,0|2,0,1]=4 250 B20R3.277 Cc1c(oc2c1cccc2)CNC3CCCCC3 207a_100000182618_100000077534 [0,1,0,0,0,0|2,1,0]=4 251 B20R3.277 Cc1c(oc2c1cccc2)CNC3CCCCC3 270004a_100000182618_100000077534 [0,1,0,0,0,0|2,1,0]=4 252 B20R3.277 Cc1c(oc2c1cccc2)CNC3CCCCC3 270004a_100153394726_100000210434 [0,1,0,0,0,0|2,1,0]=4 253 B20R3.277 Cc1c(oc2c1cccc2)CNC3CCCCC3 34a_100153394726_100000210327 [0,1,0,0,0,0|2,1,0]=4 254 B20R3.277 Cc1c(sc2c1cccc2)CNC3CCCCC3 207a_100000182618_100000038699 [0,1,0,0,0,0|2,0,0]=3 255 B20R3.277 Cc1c(sc2c1cccc2)CNC3CCCCC3 270004a_100000182618_100000038699 [0,1,0,0,0,0|2,0,0]=3 256 B20R3.277 Cc1c(sc2c1cccc2)CNC3CCCOC3 207a_100000719290_100000038699 [0,1,0,0,0,0|3,0,0]=4 257 B20R3.277 Cc1c(sc2c1cccc2)CNC3CCCOC3 270004a_100000719290_100000038699 [0,1,0,0,0,0|3,0,0]=4 258 B20R3.277 Cc1c(sc2c1cccc2)CNC3CCOCC3 207a_100000741149_100000038699 [0,1,0,0,0,0|3,0,0]=4 259 B20R3.277 Cc1c(sc2c1cccc2)CNC3CCOCC3 270004a_100000741149_100000038699 [0,1,0,0,0,0|3,0,0]=4 260 B20R3.277 Cc1c(sc2c1cccc2)CNC3CCSCC3 207a_100000748639_100000038699 [0,1,0,0,0,0|3,0,0]=4 261 B20R3.277 Cc1c(sc2c1cccc2)CNC3CCSCC3 270004a_100000748639_100000038699 [0,1,0,0,0,0|3,0,0]=4 262 B20R3.277 Cc1c(sc2c1cccc2)SCC3CCCCO3 62a_100000211543_200010198769 [0,1,0,0,0,0|3,0,0]=4 263 B20R3.277 Cc1c(sc2c1cccc2)SCC3CCCOC3 62a_100000741521_200010198769 [0,1,0,0,0,0|3,0,0]=4 264 B20R3.277 Cc1c(sc2c1cccc2)SCC3CCOCC3 62a_100000754603_200010198769 [0,1,0,0,0,0|3,0,0]=4 265 B20R3.277 Clc1c([nH]c2c1cccc2)CNC3CCCCC3 270004a_100000182618_100000050720 [0,1,0,0,0,0|2,0,1]=4 266 B20R3.277 Clc1c(sc2c1cccc2)CNC3CCCCC3 207a_100000182618_100000017830 [0,1,0,0,0,0|2,0,0]=3 267 B20R3.277 Clc1c(sc2c1cccc2)CNC3CCCCC3 2230a_100000182618_100000021718 [0,1,0,0,0,0|2,0,0]=3 268 B20R3.277 Clc1c(sc2c1cccc2)CNC3CCCCC3 270004a_100000182618_100000017830 [0,1,0,0,0,0|2,0,0]=3 269 B20R3.277 Clc1c(sc2c1cccc2)CNC3CCCCC3 270004a_200015185765_100000210434 [0,1,0,0,0,0|2,0,0]=3 270 B20R3.277 Clc1c(sc2c1cccc2)CNC3CCCCC3 34a_100000182618_100000021718 [0,1,0,0,0,0|2,0,0]=3 271 B20R3.277 Clc1c(sc2c1cccc2)CNC3CCCOC3 207a_100000719290_100000017830 [0,1,0,0,0,0|3,0,0]=4 272 B20R3.277 Clc1c(sc2c1cccc2)CNC3CCCOC3 2230a_100000719290_100000021718 [0,1,0,0,0,0|3,0,0]=4 273 B20R3.277 Clc1c(sc2c1cccc2)CNC3CCCOC3 270004a_100000719290_100000017830 [0,1,0,0,0,0|3,0,0]=4 274 B20R3.277 Clc1c(sc2c1cccc2)CNC3CCCOC3 270004a_200015185765_100000753404 [0,1,0,0,0,0|3,0,0]=4 275 B20R3.277 Clc1c(sc2c1cccc2)CNC3CCCOC3 34a_100000719290_100000021718 [0,1,0,0,0,0|3,0,0]=4 276 B20R3.277 Clc1c(sc2c1cccc2)CNC3CCCSC3 270004a_200015185765_100000057913 [0,1,0,0,0,0|3,0,0]=4 277 B20R3.277 Clc1c(sc2c1cccc2)CNC3CCNCC3 270004a_200015185765_100015192401 [0,1,0,0,0,0|3,0,0]=4 278 B20R3.277 Clc1c(sc2c1cccc2)CNC3CCOCC3 207a_100000741149_100000017830 [0,1,0,0,0,0|3,0,0]=4 279 B20R3.277 Clc1c(sc2c1cccc2)CNC3CCOCC3 2230a_100000741149_100000021718 [0,1,0,0,0,0|3,0,0]=4 280 B20R3.277 Clc1c(sc2c1cccc2)CNC3CCOCC3 270004a_100000741149_100000017830 [0,1,0,0,0,0|3,0,0]=4 281 B20R3.277 Clc1c(sc2c1cccc2)CNC3CCOCC3 270004a_200015185765_100011217826 [0,1,0,0,0,0|3,0,0]=4 282 B20R3.277 Clc1c(sc2c1cccc2)CNC3CCOCC3 34a_100000741149_100000021718 [0,1,0,0,0,0|3,0,0]=4 283 B20R3.277 Clc1c(sc2c1cccc2)CNC3CCSCC3 207a_100000748639_100000017830 [0,1,0,0,0,0|3,0,0]=4 284 B20R3.277 Clc1c(sc2c1cccc2)CNC3CCSCC3 2230a_100000748639_100000021718 [0,1,0,0,0,0|3,0,0]=4 285 B20R3.277 Clc1c(sc2c1cccc2)CNC3CCSCC3 270004a_100000748639_100000017830 [0,1,0,0,0,0|3,0,0]=4 286 B20R3.277 Clc1c(sc2c1cccc2)CNC3CCSCC3 270004a_200015185765_100000203788 [0,1,0,0,0,0|3,0,0]=4 287 B20R3.277 Clc1c(sc2c1cccc2)CNC3CCSCC3 34a_100000748639_100000021718 [0,1,0,0,0,0|3,0,0]=4 288 B20R3.277 Cn1c(cc2c1cccc2)CNC3CCCCC3 270004a_100000182618_100000033373 [0,1,0,0,0,0|2,0,1]=4 289 B20R3.277 Cn1c(cc2c1cccc2)CNC3CCCCC3 270004a_100011934526_100000210434 [0,1,0,0,0,0|2,0,1]=4 290 B20R3.277 Cn1c(nc2c1cccc2)C=CC3CCCCC3 271570a_100016283615_200000239431 [0,1,0,0,0,0|3,0,0]=4 291 B20R3.277 Cn1c(nc2c1cccc2)CNC3CCCCC3 207a_100000182618_100000188960 [0,1,0,0,0,0|2,0,0]=3 292 B20R3.277 Cn1c(nc2c1cccc2)CNC3CCCCC3 2230a_100000182618_100000748711 [0,1,0,0,0,0|2,0,0]=3 293 B20R3.277 Cn1c(nc2c1cccc2)CNC3CCCCC3 270004a_100000182618_100000188960 [0,1,0,0,0,0|2,0,0]=3 294 B20R3.277 Cn1c(nc2c1cccc2)CNC3CCCCC3 270004a_100000700934_100000210434 [0,1,0,0,0,0|2,0,0]=3 295 B20R3.277 Cn1c(nc2c1cccc2)CNC3CCCCC3 34a_100000182618_100000748711 [0,1,0,0,0,0|2,0,0]=3 296 B20R3.277 Cn1c(nc2c1cccc2)CNC3CCCOC3 207a_100000719290_100000188960 [0,1,0,0,0,0|3,0,0]=4 297 B20R3.277 Cn1c(nc2c1cccc2)CNC3CCCOC3 2230a_100000719290_100000748711 [0,1,0,0,0,0|3,0,0]=4 298 B20R3.277 Cn1c(nc2c1cccc2)CNC3CCCOC3 270004a_100000700934_100000753404 [0,1,0,0,0,0|3,0,0]=4 299 B20R3.277 Cn1c(nc2c1cccc2)CNC3CCCOC3 270004a_100000719290_100000188960 [0,1,0,0,0,0|3,0,0]=4 300 B20R3.277 Cn1c(nc2c1cccc2)CNC3CCCOC3 34a_100000719290_100000748711 [0,1,0,0,0,0|3,0,0]=4 301 B20R3.277 Cn1c(nc2c1cccc2)CNC3CCCSC3 270004a_100000700934_100000057913 [0,1,0,0,0,0|3,0,0]=4 302 B20R3.277 Cn1c(nc2c1cccc2)CNC3CCNCC3 270004a_100000700934_100015192401 [0,1,0,0,0,0|3,0,0]=4 303 B20R3.277 Cn1c(nc2c1cccc2)CNC3CCOCC3 207a_100000741149_100000188960 [0,1,0,0,0,0|3,0,0]=4 304 B20R3.277 Cn1c(nc2c1cccc2)CNC3CCOCC3 2230a_100000741149_100000748711 [0,1,0,0,0,0|3,0,0]=4 305 B20R3.277 Cn1c(nc2c1cccc2)CNC3CCOCC3 270004a_100000700934_100011217826 [0,1,0,0,0,0|3,0,0]=4 306 B20R3.277 Cn1c(nc2c1cccc2)CNC3CCOCC3 270004a_100000741149_100000188960 [0,1,0,0,0,0|3,0,0]=4 307 B20R3.277 Cn1c(nc2c1cccc2)CNC3CCOCC3 34a_100000741149_100000748711 [0,1,0,0,0,0|3,0,0]=4 308 B20R3.277 Cn1c(nc2c1cccc2)CNC3CCSCC3 207a_100000748639_100000188960 [0,1,0,0,0,0|3,0,0]=4 309 B20R3.277 Cn1c(nc2c1cccc2)CNC3CCSCC3 2230a_100000748639_100000748711 [0,1,0,0,0,0|3,0,0]=4 310 B20R3.277 Cn1c(nc2c1cccc2)CNC3CCSCC3 270004a_100000700934_100000203788 [0,1,0,0,0,0|3,0,0]=4 311 B20R3.277 Cn1c(nc2c1cccc2)CNC3CCSCC3 270004a_100000748639_100000188960 [0,1,0,0,0,0|3,0,0]=4 312 B20R3.277 Cn1c(nc2c1cccc2)CNC3CCSCC3 34a_100000748639_100000748711 [0,1,0,0,0,0|3,0,0]=4 313 B20R3.277 Cn1c(nc2c1cccc2)COC3CCCCC3 34a_100000210231_100000748711 [0,1,0,0,0,0|3,0,0]=4 314 B20R3.277 Cn1c(nc2c1cccc2)COC3CCCCC3 7a_100000210231_100000748711 [0,1,0,0,0,0|3,0,0]=4 315 B20R3.277 Cn1c(nc2c1cccc2)CSC3CCCCC3 62a_100000748711_100000210327 [0,1,0,0,0,0|3,0,0]=4 316 B20R3.277 Cn1c(nc2c1cccc2)NCC3CCCCC3 27a_100000210473_200000239431 [0,1,0,0,0,0|3,0,0]=4 317 B20R3.277 Cn1c(nc2c1cccc2)SCC3CCCCC3 62a_100000211423_200000239431 [0,1,0,0,0,0|2,0,0]=3 318 B20R3.277 Cn1c(nc2c1cccc2)SCC3CCCCC3 62a_200000239431_100000211423 [0,1,0,0,0,0|2,0,0]=3 319 B20R3.277 Cn1c(nc2c1cccc2)SCC3CCCCO3 62a_100000211543_200000239431 [0,1,0,0,0,0|3,0,0]=4 320 B20R3.277 Cn1c(nc2c1cccc2)SCC3CCCCO3 62a_200000239431_100000211543 [0,1,0,0,0,0|3,0,0]=4 321 B20R3.277 Cn1c(nc2c1cccc2)SCC3CCCOC3 62a_100000741521_200000239431 [0,1,0,0,0,0|3,0,0]=4 322 B20R3.277 Cn1c(nc2c1cccc2)SCC3CCCOC3 62a_200000239431_100000741521 [0,1,0,0,0,0|3,0,0]=4 323 B20R3.277 Cn1c(nc2c1cccc2)SCC3CCOCC3 62a_100000754603_200000239431 [0,1,0,0,0,0|3,0,0]=4 324 B20R3.277 Cn1c(nc2c1cccc2)SCC3CCOCC3 62a_200000239431_100000749018 [0,1,0,0,0,0|3,0,0]=4 325 B20R3.16119 CN(Cc1cc2ccccc2[nH]1)C3CCCCC3 269982a_100000685833_100000210327 [0,1,0,0,0,0|2,0,1]=4 326 B20R3.16119 CN(Cc1cc2ccccc2[nH]1)C3CCCCC3 270004a_100000207522_100000051030 [0,1,0,0,0,0|2,0,1]=4 327 B20R3.16119 CN(Cc1cc2ccccc2[nH]1)C3CCCCC3 270004a_100000685833_100000210434 [0,1,0,0,0,0|2,0,1]=4 328 B20R3.16119 CN(Cc1cc2ccccc2o1)C3CCCCC3 270004a_100000207522_100000229944 [0,1,0,0,0,0|2,1,0]=4 329 B20R3.16119 CN(Cc1cc2ccccc2s1)C3CCCCC3 269982a_100015183267_100000210327 [0,1,0,0,0,0|2,0,0]=3 330 B20R3.16119 CN(Cc1cc2ccccc2s1)C3CCCCC3 270004a_100000207522_100000686906 [0,1,0,0,0,0|2,0,0]=3 331 B20R3.16119 CN(Cc1cc2ccccc2s1)C3CCCCC3 270004a_100015183267_100000210434 [0,1,0,0,0,0|2,0,0]=3 332 B20R3.16119 CN(Cc1cc2ccccc2s1)C3CCCOC3 269982a_100015183267_100000693364 [0,1,0,0,0,0|3,0,0]=4 333 B20R3.16119 CN(Cc1cc2ccccc2s1)C3CCCOC3 270004a_100015183267_100000753404 [0,1,0,0,0,0|3,0,0]=4 334 B20R3.16119 CN(Cc1cc2ccccc2s1)C3CCCSC3 270004a_100015183267_100000057913 [0,1,0,0,0,0|3,0,0]=4 335 B20R3.16119 CN(Cc1cc2ccccc2s1)C3CCNCC3 270004a_100015183267_100015192401 [0,1,0,0,0,0|3,0,0]=4 336 B20R3.16119 CN(Cc1cc2ccccc2s1)C3CCOCC3 269982a_100015183267_100011324220 [0,1,0,0,0,0|3,0,0]=4 337 B20R3.16119 CN(Cc1cc2ccccc2s1)C3CCOCC3 270004a_100015183267_100011217826 [0,1,0,0,0,0|3,0,0]=4 338 B20R3.16119 CN(Cc1cc2ccccc2s1)C3CCOCC3 270004a_100020587155_100000686906 [0,1,0,0,0,0|3,0,0]=4 339 B20R3.16119 CN(Cc1cc2ccccc2s1)C3CCSCC3 269982a_100015183267_100000069128 [0,1,0,0,0,0|3,0,0]=4 340 B20R3.16119 CN(Cc1cc2ccccc2s1)C3CCSCC3 270004a_100015183267_100000203788 [0,1,0,0,0,0|3,0,0]=4 341 B20R3.16119 CN(Cc1cc2ccccc2s1)C3CCSCC3 270004a_100015184757_100000686906 [0,1,0,0,0,0|3,0,0]=4 342 B20R3.16119 CN(Cc1cc2cccnc2s1)C3CCCCC3 270004a_100000207522_100000050461 [0,1,0,0,0,0|3,0,0]=4 343 B20R3.16119 CN(Cc1cc2cnccc2s1)C3CCCCC3 270004a_100000207522_100000054438 [0,1,0,0,0,0|3,0,0]=4 344 B20R3.16119 CN(Cc1cn2ccccc2n1)C3CCCCC3 2230a_100000207522_100000689847 [0,1,0,0,0,0|3,0,0]=4 345 B20R3.16119 CN(Cc1cn2ccccc2n1)C3CCCCC3 269982a_100000207522_100000689847 [0,1,0,0,0,0|3,0,0]=4 346 B20R3.16119 CN(Cc1cn2ccccc2n1)C3CCCCC3 34a_100000207522_100000689847 [0,1,0,0,0,0|3,0,0]=4 347 B20R3.16119 CN(Cc1nc2ccccc2[nH]1)C3CCCCC3 2230a_100000207522_100000737899 [0,1,0,0,0,0|2,0,0]=3 348 B20R3.16119 CN(Cc1nc2ccccc2[nH]1)C3CCCCC3 269982a_100000207522_100000737899 [0,1,0,0,0,0|2,0,0]=3 349 B20R3.16119 CN(Cc1nc2ccccc2[nH]1)C3CCCCC3 269982a_100000736437_100000210327 [0,1,0,0,0,0|2,0,0]=3 350 B20R3.16119 CN(Cc1nc2ccccc2[nH]1)C3CCCCC3 270004a_100000207522_100000185668 [0,1,0,0,0,0|2,0,0]=3 351 B20R3.16119 CN(Cc1nc2ccccc2[nH]1)C3CCCCC3 270004a_100000736437_100000210434 [0,1,0,0,0,0|2,0,0]=3 352 B20R3.16119 CN(Cc1nc2ccccc2[nH]1)C3CCCOC3 269982a_100000736437_100000693364 [0,1,0,0,0,0|3,0,0]=4 353 B20R3.16119 CN(Cc1nc2ccccc2[nH]1)C3CCCOC3 270004a_100000736437_100000753404 [0,1,0,0,0,0|3,0,0]=4 354 B20R3.16119 CN(Cc1nc2ccccc2[nH]1)C3CCCSC3 270004a_100000736437_100000057913 [0,1,0,0,0,0|3,0,0]=4 355 B20R3.16119 CN(Cc1nc2ccccc2[nH]1)C3CCNCC3 270004a_100000736437_100015192401 [0,1,0,0,0,0|3,0,0]=4 356 B20R3.16119 CN(Cc1nc2ccccc2[nH]1)C3CCOCC3 2230a_100020587155_100000737899 [0,1,0,0,0,0|3,0,0]=4 357 B20R3.16119 CN(Cc1nc2ccccc2[nH]1)C3CCOCC3 269982a_100000736437_100011324220 [0,1,0,0,0,0|3,0,0]=4 358 B20R3.16119 CN(Cc1nc2ccccc2[nH]1)C3CCOCC3 269982a_100020587155_100000737899 [0,1,0,0,0,0|3,0,0]=4 359 B20R3.16119 CN(Cc1nc2ccccc2[nH]1)C3CCOCC3 270004a_100000736437_100011217826 [0,1,0,0,0,0|3,0,0]=4 360 B20R3.16119 CN(Cc1nc2ccccc2[nH]1)C3CCOCC3 270004a_100020587155_100000185668 [0,1,0,0,0,0|3,0,0]=4 361 B20R3.16119 CN(Cc1nc2ccccc2[nH]1)C3CCSCC3 2230a_100015184757_100000737899 [0,1,0,0,0,0|3,0,0]=4 362 B20R3.16119 CN(Cc1nc2ccccc2[nH]1)C3CCSCC3 269982a_100000736437_100000069128 [0,1,0,0,0,0|3,0,0]=4 363 B20R3.16119 CN(Cc1nc2ccccc2[nH]1)C3CCSCC3 269982a_100015184757_100000737899 [0,1,0,0,0,0|3,0,0]=4 364 B20R3.16119 CN(Cc1nc2ccccc2[nH]1)C3CCSCC3 270004a_100000736437_100000203788 [0,1,0,0,0,0|3,0,0]=4 365 B20R3.16119 CN(Cc1nc2ccccc2[nH]1)C3CCSCC3 270004a_100015184757_100000185668 [0,1,0,0,0,0|3,0,0]=4 366 B20R3.16119 CN(Cc1nc2ccccc2o1)C3CCCCC3 2230a_100000207522_100000195508 [0,1,0,0,0,0|1,1,0]=3 367 B20R3.16119 CN(Cc1nc2ccccc2o1)C3CCCCC3 34a_100000207522_200012361514 [0,1,0,0,0,0|1,1,0]=3 368 B20R3.16119 CN(Cc1nc2ccccc2o1)C3CCOCC3 2230a_100020587155_100000195508 [0,1,0,0,0,0|2,1,0]=4 369 B20R3.16119 CN(Cc1nc2ccccc2o1)C3CCOCC3 34a_100020587155_200012361514 [0,1,0,0,0,0|2,1,0]=4 370 B20R3.16119 CN(Cc1nc2ccccc2o1)C3CCSCC3 2230a_100015184757_100000195508 [0,1,0,0,0,0|2,1,0]=4 371 B20R3.16119 CN(Cc1nc2ccccc2o1)C3CCSCC3 34a_100015184757_200012361514 [0,1,0,0,0,0|2,1,0]=4 372 B20R3.16119 CN(Cc1nc2ccccc2s1)C3C=CCCC3 2230a_100000204650_100000751183 [0,1,0,0,0,0|1,0,2]=4 373 B20R3.16119 CN(Cc1nc2ccccc2s1)C3C=CCCC3 269982a_100000204650_100000751183 [0,1,0,0,0,0|1,0,2]=4 374 B20R3.16119 CN(Cc1nc2ccccc2s1)C3CCCCC3 2230a_100000207522_100000766747 [0,1,0,0,0,0|1,0,0]=2 375 B20R3.16119 CN(Cc1nc2ccccc2s1)C3CCCCC3 269982a_100000204650_100000210327 [0,1,0,0,0,0|1,0,0]=2 376 B20R3.16119 CN(Cc1nc2ccccc2s1)C3CCCCC3 269982a_100000207522_100011217541 [0,1,0,0,0,0|1,0,0]=2 377 B20R3.16119 CN(Cc1nc2ccccc2s1)C3CCCCC3 270004a_100000204650_100000210434 [0,1,0,0,0,0|1,0,0]=2 378 B20R3.16119 CN(Cc1nc2ccccc2s1)C3CCCCC3 270004a_100000207522_100011204187 [0,1,0,0,0,0|1,0,0]=2 379 B20R3.16119 CN(Cc1nc2ccccc2s1)C3CCCCC3 34a_100000207522_100011217541 [0,1,0,0,0,0|1,0,0]=2 380 B20R3.16119 CN(Cc1nc2ccccc2s1)C3CCCOC3 269982a_100000204650_100000693364 [0,1,0,0,0,0|2,0,0]=3 381 B20R3.16119 CN(Cc1nc2ccccc2s1)C3CCCOC3 270004a_100000204650_100000753404 [0,1,0,0,0,0|2,0,0]=3 382 B20R3.16119 CN(Cc1nc2ccccc2s1)C3CCCSC3 270004a_100000204650_100000057913 [0,1,0,0,0,0|2,0,0]=3 383 B20R3.16119 CN(Cc1nc2ccccc2s1)C3CCNCC3 270004a_100000204650_100015192401 [0,1,0,0,0,0|2,0,0]=3 384 B20R3.16119 CN(Cc1nc2ccccc2s1)C3CCOCC3 2230a_100020587155_100000766747 [0,1,0,0,0,0|2,0,0]=3 385 B20R3.16119 CN(Cc1nc2ccccc2s1)C3CCOCC3 269982a_100000204650_100011324220 [0,1,0,0,0,0|2,0,0]=3 386 B20R3.16119 CN(Cc1nc2ccccc2s1)C3CCOCC3 269982a_100020587155_100011217541 [0,1,0,0,0,0|2,0,0]=3 387 B20R3.16119 CN(Cc1nc2ccccc2s1)C3CCOCC3 270004a_100000204650_100011217826 [0,1,0,0,0,0|2,0,0]=3 388 B20R3.16119 CN(Cc1nc2ccccc2s1)C3CCOCC3 270004a_100020587155_100011204187 [0,1,0,0,0,0|2,0,0]=3 389 B20R3.16119 CN(Cc1nc2ccccc2s1)C3CCOCC3 34a_100020587155_100011217541 [0,1,0,0,0,0|2,0,0]=3 390 B20R3.16119 CN(Cc1nc2ccccc2s1)C3CCSCC3 2230a_100015184757_100000766747 [0,1,0,0,0,0|2,0,0]=3 391 B20R3.16119 CN(Cc1nc2ccccc2s1)C3CCSCC3 269982a_100000204650_100000069128 [0,1,0,0,0,0|2,0,0]=3 392 B20R3.16119 CN(Cc1nc2ccccc2s1)C3CCSCC3 269982a_100015184757_100011217541 [0,1,0,0,0,0|2,0,0]=3 393 B20R3.16119 CN(Cc1nc2ccccc2s1)C3CCSCC3 270004a_100000204650_100000203788 [0,1,0,0,0,0|2,0,0]=3 394 B20R3.16119 CN(Cc1nc2ccccc2s1)C3CCSCC3 270004a_100015184757_100011204187 [0,1,0,0,0,0|2,0,0]=3 395 B20R3.16119 CN(Cc1nc2ccccc2s1)C3CCSCC3 34a_100015184757_100011217541 [0,1,0,0,0,0|2,0,0]=3 396 B20R3.16119 CN(Cc1nc2cccnc2[nH]1)C3CCCCC3 2230a_100000207522_100011549802 [0,1,0,0,0,0|3,0,0]=4 397 B20R3.16119 CN(Cc1nc2ncccc2o1)C3CCCCC3 2230a_100000207522_100000696355 [0,1,0,0,0,0|2,1,0]=4 398 B20R3.16119 C[C@@H](Nc1nc2ccccc2[nH]1)C3CCCCC3 27a_100025707633_100009814255 [0,1,0,0,0,0|3,0,0]=4 399 B20R3.16119 C[C@@H](Nc1nc2ccccc2s1)C3CCCCC3 27a_100025707633_100000751744 [0,1,0,0,0,0|2,0,0]=3 400 B20R3.16119 C[C@@H](Nc1nc2cccnc2s1)C3CCCCC3 27a_100025707633_100010188088 [0,1,0,0,0,0|3,0,0]=4 401 B20R3.16119 O=C(Cc1cc2ccccc2s1)C3CCCCC3 1458a_100012001211_100000210327 [0,1,0,0,0,0|3,0,0]=4 402 B20R3.16119 O=C(Cc1nc2ccccc2[nH]1)C3CCCCC3 1458a_100000210647_100000737899 [0,1,0,0,0,0|3,0,0]=4 403 B20R3.16119 O=C(Cc1nc2ccccc2o1)C3CCCCC3 1458a_100000210647_100000195508 [0,1,0,0,0,0|2,1,0]=4 404 B20R3.16119 O=C(Cc1nc2ccccc2o1)C3CCCCC3 1458a_100015185861_100000210327 [0,1,0,0,0,0|2,1,0]=4 405 B20R3.16119 O=C(Cc1nc2ccccc2s1)C3CCCCC3 1458a_100000210647_100011217541 [0,1,0,0,0,0|2,0,0]=3 406 B20R3.16119 O=C(Cc1nc2ccccc2s1)C3CCCCO3 1458a_100000748299_100011217541 [0,1,0,0,0,0|3,0,0]=4 407 B20R3.16119 O=C(Cc1nc2ccccc2s1)C3CCCOC3 1458a_100000741522_100011217541 [0,1,0,0,0,0|3,0,0]=4 408 B20R3.16119 O=C(Cc1nc2ccccc2s1)C3CCOCC3 1458a_100000195482_100011217541 [0,1,0,0,0,0|3,0,0]=4 409 B20R3.16119 O=C(Cc1nc2ccccc2s1)C3CCSCC3 1458a_100000755232_100011217541 [0,1,0,0,0,0|3,0,0]=4 410 B20R3.91525 CC1CC(CCO1)NCc2cc3ccccc3s2 270004a_100015187092_100000755752 [0,1,0,0,0,0|3,0,0]=4 411 B20R3.91525 CC1CC(CCO1)NCc2nc3ccccc3[nH]2 270004a_100000729406_100000755752 [0,1,0,0,0,0|3,0,0]=4 412 B20R3.91525 CC1CC(CCO1)NCc2nc3ccccc3o2 270004a_100000733820_100000755752 [0,1,0,0,0,0|2,1,0]=4 413 B20R3.91525 CC1CC(CCO1)OCc2nc3ccccc3s2 34a_100011986385_100011217541 [0,1,0,0,0,0|3,0,0]=4 414 B20R3.91525 CC1CC(CCO1)OCc2nc3ccccc3s2 7a_100011986385_100011217541 [0,1,0,0,0,0|3,0,0]=4 415 B20R3.91525 CC1CCCC(=NNc2nc3ccccc3s2)C1 4a_100000181811_100000183594 [0,1,0,0,0,0|1,0,2]=4 416 B20R3.91525 CC1CCCC(C1)NCc2cc3ccccc3[nH]2 270004a_100011194320_100000051030 [0,1,0,0,0,0|2,0,1]=4 417 B20R3.91525 CC1CCCC(C1)NCc2cc3ccccc3[nH]2 270004a_100015204011_100000183594 [0,1,0,0,0,0|2,0,1]=4 418 B20R3.91525 CC1CCCC(C1)NCc2cc3ccccc3o2 207a_100011194320_100000229944 [0,1,0,0,0,0|2,1,0]=4 419 B20R3.91525 CC1CCCC(C1)NCc2cc3ccccc3o2 270004a_100011194320_100000229944 [0,1,0,0,0,0|2,1,0]=4 420 B20R3.91525 CC1CCCC(C1)NCc2cc3ccccc3o2 270004a_100011220112_100000183594 [0,1,0,0,0,0|2,1,0]=4 421 B20R3.91525 CC1CCCC(C1)NCc2cc3ccccc3s2 207a_100011194320_100000686906 [0,1,0,0,0,0|2,0,0]=3 422 B20R3.91525 CC1CCCC(C1)NCc2cc3ccccc3s2 270004a_100011194320_100000686906 [0,1,0,0,0,0|2,0,0]=3 423 B20R3.91525 CC1CCCC(C1)NCc2cc3ccccc3s2 270004a_100015187092_100000183594 [0,1,0,0,0,0|2,0,0]=3 424 B20R3.91525 CC1CCCC(C1)NCc2cc3cccnc3s2 207a_100011194320_100000050461 [0,1,0,0,0,0|3,0,0]=4 425 B20R3.91525 CC1CCCC(C1)NCc2cc3cccnc3s2 270004a_100011194320_100000050461 [0,1,0,0,0,0|3,0,0]=4 426 B20R3.91525 CC1CCCC(C1)NCc2cc3cnccc3s2 207a_100011194320_100000054438 [0,1,0,0,0,0|3,0,0]=4 427 B20R3.91525 CC1CCCC(C1)NCc2cc3cnccc3s2 270004a_100011194320_100000054438 [0,1,0,0,0,0|3,0,0]=4 428 B20R3.91525 CC1CCCC(C1)NCc2cn3ccccc3n2 207a_100011194320_100000743146 [0,1,0,0,0,0|3,0,0]=4 429 B20R3.91525 CC1CCCC(C1)NCc2cn3ccccc3n2 2230a_100011194320_100000689847 [0,1,0,0,0,0|3,0,0]=4 430 B20R3.91525 CC1CCCC(C1)NCc2cn3ccccc3n2 270004a_100000195574_100000183594 [0,1,0,0,0,0|3,0,0]=4 431 B20R3.91525 CC1CCCC(C1)NCc2cn3ccccc3n2 34a_100011194320_100000689847 [0,1,0,0,0,0|3,0,0]=4 432 B20R3.91525 CC1CCCC(C1)NCc2nc3ccccc3[nH]2 207a_100011194320_100000185668 [0,1,0,0,0,0|2,0,0]=3 433 B20R3.91525 CC1CCCC(C1)NCc2nc3ccccc3[nH]2 2230a_100011194320_100000737899 [0,1,0,0,0,0|2,0,0]=3 434 B20R3.91525 CC1CCCC(C1)NCc2nc3ccccc3[nH]2 270004a_100000729406_100000183594 [0,1,0,0,0,0|2,0,0]=3 435 B20R3.91525 CC1CCCC(C1)NCc2nc3ccccc3[nH]2 270004a_100011194320_100000185668 [0,1,0,0,0,0|2,0,0]=3 436 B20R3.91525 CC1CCCC(C1)NCc2nc3ccccc3o2 2230a_100011194320_100000195508 [0,1,0,0,0,0|1,1,0]=3 437 B20R3.91525 CC1CCCC(C1)NCc2nc3ccccc3o2 270004a_100000733820_100000183594 [0,1,0,0,0,0|1,1,0]=3 438 B20R3.91525 CC1CCCC(C1)NCc2nc3ccccc3o2 34a_100011194320_200012361514 [0,1,0,0,0,0|1,1,0]=3 439 B20R3.91525 CC1CCCC(C1)NCc2nc3ccccc3s2 2230a_100011194320_100000766747 [0,1,0,0,0,0|1,0,0]=2 440 B20R3.91525 CC1CCCC(C1)NCc2nc3ccccc3s2 270004a_100011194320_100011204187 [0,1,0,0,0,0|1,0,0]=2 441 B20R3.91525 CC1CCCC(C1)NCc2nc3ccccc3s2 34a_100011194320_100011217541 [0,1,0,0,0,0|1,0,0]=2 442 B20R3.91525 CC1CCCC(C1)NCc2nc3cccnc3[nH]2 2230a_100011194320_100011549802 [0,1,0,0,0,0|3,0,0]=4 443 B20R3.91525 CC1CCCC(C1)NCc2nc3ncccc3o2 2230a_100011194320_100000696355 [0,1,0,0,0,0|2,1,0]=4 444 B20R3.91525 CC1CCCC(C1)OCc2nc3ccccc3o2 34a_100000211399_200012361514 [0,1,0,0,0,0|2,1,0]=4 445 B20R3.91525 CC1CCCC(C1)OCc2nc3ccccc3s2 34a_100000211399_100011217541 [0,1,0,0,0,0|2,0,0]=3 446 B20R3.91525 CN1CCCC(C1)CSc2cc3ccccc3s2 62a_100000752043_100009816949 [0,1,0,0,0,0|3,0,0]=4 447 B20R3.91525 CN1CCCC(C1)CSc2nc3ccccc3[nH]2 62a_100000752043_100009814255 [0,1,0,0,0,0|3,0,0]=4 448 B20R3.91525 CN1CCCC(C1)CSc2nc3ccccc3s2 62a_100000752043_100000751744 [0,1,0,0,0,0|2,0,0]=3 449 B20R3.91525 CN1CCCC(C1)CSc2nc3cccnc3s2 62a_100000752043_100010188088 [0,1,0,0,0,0|3,0,0]=4 450 B20R3.91525 CN1CCCC(C1)CSc2nc3cccnc3s2 62a_100010188088_100000752043 [0,1,0,0,0,0|3,0,0]=4 451 B20R3.91525 CN1CCC[C@@H](C1)NCc2cc3ccccc3s2 207a_100016992120_100000686906 [0,1,0,0,0,0|3,0,0]=4 452 B20R3.91525 CN1CCC[C@@H](C1)NCc2cc3ccccc3s2 270004a_100016992120_100000686906 [0,1,0,0,0,0|3,0,0]=4 453 B20R3.91525 CN1CCC[C@@H](C1)NCc2nc3ccccc3[nH]2 207a_100016992120_100000185668 [0,1,0,0,0,0|3,0,0]=4 454 B20R3.91525 CN1CCC[C@@H](C1)NCc2nc3ccccc3[nH]2 270004a_100016992120_100000185668 [0,1,0,0,0,0|3,0,0]=4 455 B20R3.91525 CN1CCC[C@@H](C1)NCc2nc3ccccc3s2 270004a_100016992120_100011204187 [0,1,0,0,0,0|2,0,0]=3 456 B20R3.91525 CN1CCC[C@H](C1)CNc2nc3ccccc3s2 27a_100016993746_100000751744 [0,1,0,0,0,0|3,0,0]=4 457 B20R3.91525 C[C@@H]1CC(CCN1)NCc2cc3ccccc3s2 270004a_100015187092_100016994030 [0,1,0,0,0,0|3,0,0]=4 458 B20R3.91525 C[C@@H]1CC(CCN1)NCc2nc3ccccc3[nH]2 270004a_100000729406_100016994030 [0,1,0,0,0,0|3,0,0]=4 459 B20R3.91525 C[C@@H]1CC(CCN1)NCc2nc3ccccc3o2 270004a_100000733820_100016994030 [0,1,0,0,0,0|2,1,0]=4 460 B20R3.91525 O=C1CC(CCN1)NCc2nc3ccccc3s2 2230a_100016994916_100000766747 [0,1,0,0,0,0|2,0,1]=4 461 B20R3.91525 O=C1CC(CCN1)NCc2nc3ccccc3s2 34a_100016994916_100011217541 [0,1,0,0,0,0|2,0,1]=4 462 B20R3.91525 O=C1CCCC(C1)OCc2nc3ccccc3s2 34a_100012613340_100011217541 [0,1,0,0,0,0|2,0,1]=4 463 B20R3.91525 OC1CCCC(=NNc2nc3ccccc3s2)C1 4a_100000181811_100012613340 [0,1,0,0,0,0|1,0,2]=4 464 B20R3.91525 OC1CCCC(C1)CNc2nc3ccccc3[nH]2 27a_100011254705_100009814255 [0,1,0,0,0,0|3,0,0]=4 465 B20R3.91525 OC1CCCC(C1)CNc2nc3ccccc3s2 27a_100011254705_100000751744 [0,1,0,0,0,0|2,0,0]=3 466 B20R3.91525 OC1CCCC(C1)CNc2nc3cccnc3s2 27a_100011254705_100010188088 [0,1,0,0,0,0|3,0,0]=4 467 B20R3.91525 OC1CCCC(C1)NCc2cc3ccccc3[nH]2 270004a_100015190357_100000051030 [0,1,0,0,0,0|2,0,1]=4 468 B20R3.91525 OC1CCCC(C1)NCc2cc3ccccc3[nH]2 270004a_100015204011_100012613340 [0,1,0,0,0,0|2,0,1]=4 469 B20R3.91525 OC1CCCC(C1)NCc2cc3ccccc3o2 207a_100015190357_100000229944 [0,1,0,0,0,0|2,1,0]=4 470 B20R3.91525 OC1CCCC(C1)NCc2cc3ccccc3o2 270004a_100011220112_100012613340 [0,1,0,0,0,0|2,1,0]=4 471 B20R3.91525 OC1CCCC(C1)NCc2cc3ccccc3o2 270004a_100015190357_100000229944 [0,1,0,0,0,0|2,1,0]=4 472 B20R3.91525 OC1CCCC(C1)NCc2cc3ccccc3s2 207a_100015190357_100000686906 [0,1,0,0,0,0|2,0,0]=3 473 B20R3.91525 OC1CCCC(C1)NCc2cc3ccccc3s2 270004a_100015187092_100012613340 [0,1,0,0,0,0|2,0,0]=3 474 B20R3.91525 OC1CCCC(C1)NCc2cc3ccccc3s2 270004a_100015190357_100000686906 [0,1,0,0,0,0|2,0,0]=3 475 B20R3.91525 OC1CCCC(C1)NCc2cc3cccnc3s2 207a_100015190357_100000050461 [0,1,0,0,0,0|3,0,0]=4 476 B20R3.91525 OC1CCCC(C1)NCc2cc3cccnc3s2 270004a_100015190357_100000050461 [0,1,0,0,0,0|3,0,0]=4 477 B20R3.91525 OC1CCCC(C1)NCc2cc3cnccc3s2 207a_100015190357_100000054438 [0,1,0,0,0,0|3,0,0]=4 478 B20R3.91525 OC1CCCC(C1)NCc2cc3cnccc3s2 270004a_100015190357_100000054438 [0,1,0,0,0,0|3,0,0]=4 479 B20R3.91525 OC1CCCC(C1)NCc2cn3ccccc3n2 207a_100015190357_100000743146 [0,1,0,0,0,0|3,0,0]=4 480 B20R3.91525 OC1CCCC(C1)NCc2cn3ccccc3n2 2230a_100015190357_100000689847 [0,1,0,0,0,0|3,0,0]=4 481 B20R3.91525 OC1CCCC(C1)NCc2cn3ccccc3n2 270004a_100000195574_100012613340 [0,1,0,0,0,0|3,0,0]=4 482 B20R3.91525 OC1CCCC(C1)NCc2nc3ccccc3[nH]2 207a_100015190357_100000185668 [0,1,0,0,0,0|2,0,0]=3 483 B20R3.91525 OC1CCCC(C1)NCc2nc3ccccc3[nH]2 2230a_100015190357_100000737899 [0,1,0,0,0,0|2,0,0]=3 484 B20R3.91525 OC1CCCC(C1)NCc2nc3ccccc3[nH]2 270004a_100000729406_100012613340 [0,1,0,0,0,0|2,0,0]=3 485 B20R3.91525 OC1CCCC(C1)NCc2nc3ccccc3[nH]2 270004a_100015190357_100000185668 [0,1,0,0,0,0|2,0,0]=3 486 B20R3.91525 OC1CCCC(C1)NCc2nc3ccccc3o2 2230a_100015190357_100000195508 [0,1,0,0,0,0|1,1,0]=3 487 B20R3.91525 OC1CCCC(C1)NCc2nc3ccccc3o2 270004a_100000733820_100012613340 [0,1,0,0,0,0|1,1,0]=3 488 B20R3.91525 OC1CCCC(C1)NCc2nc3ccccc3s2 2230a_100015190357_100000766747 [0,1,0,0,0,0|1,0,0]=2 489 B20R3.91525 OC1CCCC(C1)NCc2nc3ccccc3s2 270004a_100015190357_100011204187 [0,1,0,0,0,0|1,0,0]=2 490 B20R3.91525 OC1CCCC(C1)NCc2nc3cccnc3[nH]2 2230a_100015190357_100011549802 [0,1,0,0,0,0|3,0,0]=4 491 B20R3.91525 OC1CCCC(C1)NCc2nc3ncccc3o2 2230a_100015190357_100000696355 [0,1,0,0,0,0|2,1,0]=4 492 B20R3.94169 Brc1ccc2[nH]c(cc2c1)CNC3CCCCC3 207a_100000182618_100009820874 [0,1,0,0,0,0|2,0,1]=4 493 B20R3.94169 Brc1ccc2[nH]c(cc2c1)CNC3CCCCC3 270004a_100000182618_100009820874 [0,1,0,0,0,0|2,0,1]=4 494 B20R3.94169 Brc1ccc2[nH]c(nc2c1)CNC3CCCCC3 2230a_100000182618_100000701424 [0,1,0,0,0,0|2,0,0]=3 495 B20R3.94169 Brc1ccc2[nH]c(nc2c1)CNC3CCCCC3 34a_100000182618_100000701424 [0,1,0,0,0,0|2,0,0]=3 496 B20R3.94169 Brc1ccc2[nH]c(nc2c1)CNC3CCCOC3 2230a_100000719290_100000701424 [0,1,0,0,0,0|3,0,0]=4 497 B20R3.94169 Brc1ccc2[nH]c(nc2c1)CNC3CCCOC3 34a_100000719290_100000701424 [0,1,0,0,0,0|3,0,0]=4 498 B20R3.94169 Brc1ccc2[nH]c(nc2c1)CNC3CCOCC3 2230a_100000741149_100000701424 [0,1,0,0,0,0|3,0,0]=4 499 B20R3.94169 Brc1ccc2[nH]c(nc2c1)CNC3CCOCC3 34a_100000741149_100000701424 [0,1,0,0,0,0|3,0,0]=4 500 B20R3.94169 Brc1ccc2[nH]c(nc2c1)CNC3CCSCC3 2230a_100000748639_100000701424 [0,1,0,0,0,0|3,0,0]=4 501 B20R3.94169 Brc1ccc2[nH]c(nc2c1)CNC3CCSCC3 34a_100000748639_100000701424 [0,1,0,0,0,0|3,0,0]=4 502 B20R3.94169 Brc1ccc2[nH]c(nc2c1)COC3CCCCC3 34a_100000210231_100000701424 [0,1,0,0,0,0|3,0,0]=4 503 B20R3.94169 Brc1ccc2[nH]c(nc2c1)COC3CCCCC3 7a_100000210231_100000701424 [0,1,0,0,0,0|3,0,0]=4 504 B20R3.94169 Brc1ccc2[nH]c(nc2c1)CSC3CCCCC3 62a_100000701424_100000210327 [0,1,0,0,0,0|3,0,0]=4 505 B20R3.94169 Brc1ccc2c(c1)CC(=NNC3CCCCC3)C2 4a_100000709804_100010185598 [0,1,0,0,0,0|3,0,0]=4 506 B20R3.94169 Brc1ccc2cc([nH]c2c1)CNC3CCCCC3 207a_100000182618_100000736022 [0,1,0,0,0,0|2,0,1]=4 507 B20R3.94169 Brc1ccc2cc([nH]c2c1)CNC3CCCCC3 270004a_100000182618_100000736022 [0,1,0,0,0,0|2,0,1]=4 508 B20R3.94169 Brc1ccc2cc(sc2c1)CNC3CCCOC3 207a_100000719290_100009814784 [0,1,0,0,0,0|3,0,0]=4 509 B20R3.94169 Brc1ccc2cc(sc2c1)CNC3CCCOC3 270004a_100000719290_100009814784 [0,1,0,0,0,0|3,0,0]=4 510 B20R3.94169 Brc1ccc2cc(sc2c1)CNC3CCOCC3 207a_100000741149_100009814784 [0,1,0,0,0,0|3,0,0]=4 511 B20R3.94169 Brc1ccc2cc(sc2c1)CNC3CCOCC3 270004a_100000741149_100009814784 [0,1,0,0,0,0|3,0,0]=4 512 B20R3.94169 Brc1ccc2cc(sc2c1)CNC3CCSCC3 207a_100000748639_100009814784 [0,1,0,0,0,0|3,0,0]=4 513 B20R3.94169 Brc1ccc2cc(sc2c1)CNC3CCSCC3 270004a_100000748639_100009814784 [0,1,0,0,0,0|3,0,0]=4 514 B20R3.94169 Brc1ccc2nc([nH]c2c1)CNC3CCCCC3 207a_100000182618_200011361486 [0,1,0,0,0,0|2,0,0]=3 515 B20R3.94169 Brc1ccc2nc([nH]c2c1)CNC3CCCCC3 270004a_100000182618_200011361486 [0,1,0,0,0,0|2,0,0]=3 516 B20R3.94169 Brc1ccc2nc([nH]c2c1)CNC3CCCOC3 207a_100000719290_200011361486 [0,1,0,0,0,0|3,0,0]=4 517 B20R3.94169 Brc1ccc2nc([nH]c2c1)CNC3CCCOC3 270004a_100000719290_200011361486 [0,1,0,0,0,0|3,0,0]=4 518 B20R3.94169 Brc1ccc2nc([nH]c2c1)CNC3CCOCC3 207a_100000741149_200011361486 [0,1,0,0,0,0|3,0,0]=4 519 B20R3.94169 Brc1ccc2nc([nH]c2c1)CNC3CCOCC3 270004a_100000741149_200011361486 [0,1,0,0,0,0|3,0,0]=4 520 B20R3.94169 Brc1ccc2nc([nH]c2c1)CNC3CCSCC3 207a_100000748639_200011361486 [0,1,0,0,0,0|3,0,0]=4 521 B20R3.94169 Brc1ccc2nc([nH]c2c1)CNC3CCSCC3 270004a_100000748639_200011361486 [0,1,0,0,0,0|3,0,0]=4 522 B20R3.94169 Brc1ccc2nc(cn2c1)CNC3CCCCC3 207a_100000182618_100012351728 [0,1,0,0,0,0|3,0,0]=4 523 B20R3.94169 Brc1ccc2nc(cn2c1)CNC3CCCCC3 2230a_100000182618_100000741204 [0,1,0,0,0,0|3,0,0]=4 524 B20R3.94169 Brc1ccc2nc(cn2c1)CNC3CCCCC3 270004a_100000182618_100012351728 [0,1,0,0,0,0|3,0,0]=4 525 B20R3.94169 Brc1ccc2nc(cn2c1)CNC3CCCCC3 34a_100000182618_100000741204 [0,1,0,0,0,0|3,0,0]=4 526 B20R3.94169 Brc1ccc2nc(oc2c1)CNC3CCCCC3 2230a_100000182618_100000729449 [0,1,0,0,0,0|1,1,0]=3 527 B20R3.94169 Brc1ccc2nc(oc2c1)CNC3CCCCC3 34a_100000182618_100000729449 [0,1,0,0,0,0|1,1,0]=3 528 B20R3.94169 Brc1ccc2nc(oc2c1)CNC3CCCOC3 2230a_100000719290_100000729449 [0,1,0,0,0,0|2,1,0]=4 529 B20R3.94169 Brc1ccc2nc(oc2c1)CNC3CCCOC3 34a_100000719290_100000729449 [0,1,0,0,0,0|2,1,0]=4 530 B20R3.94169 Brc1ccc2nc(oc2c1)CNC3CCOCC3 2230a_100000741149_100000729449 [0,1,0,0,0,0|2,1,0]=4 531 B20R3.94169 Brc1ccc2nc(oc2c1)CNC3CCOCC3 34a_100000741149_100000729449 [0,1,0,0,0,0|2,1,0]=4 532 B20R3.94169 Brc1ccc2nc(oc2c1)CNC3CCSCC3 2230a_100000748639_100000729449 [0,1,0,0,0,0|2,1,0]=4 533 B20R3.94169 Brc1ccc2nc(oc2c1)CNC3CCSCC3 34a_100000748639_100000729449 [0,1,0,0,0,0|2,1,0]=4 534 B20R3.94169 Brc1ccc2nc(oc2c1)COC3CCCCC3 34a_100000210231_100000729449 [0,1,0,0,0,0|2,1,0]=4 535 B20R3.94169 Brc1ccc2nc(oc2c1)COC3CCCCC3 7a_100000210231_100000729449 [0,1,0,0,0,0|2,1,0]=4 536 B20R3.94169 Brc1ccc2nc(sc2c1)NN=C3CCCCC3 4a_100009816745_100000210434 [0,1,0,0,0,0|1,0,2]=4 537 B20R3.94169 Brc1ccc2oc(cc2c1)CNC3CCCCC3 207a_100000182618_100000755920 [0,1,0,0,0,0|2,1,0]=4 538 B20R3.94169 Brc1ccc2oc(cc2c1)CNC3CCCCC3 270004a_100000182618_100000755920 [0,1,0,0,0,0|2,1,0]=4 539 B20R3.94169 Brc1ccc2oc(nc2c1)CNC3CCCCC3 2230a_100000182618_100000730559 [0,1,0,0,0,0|1,1,0]=3 540 B20R3.94169 Brc1ccc2oc(nc2c1)CNC3CCCCC3 34a_100000182618_100000730559 [0,1,0,0,0,0|1,1,0]=3 541 B20R3.94169 Brc1ccc2oc(nc2c1)CNC3CCCOC3 2230a_100000719290_100000730559 [0,1,0,0,0,0|2,1,0]=4 542 B20R3.94169 Brc1ccc2oc(nc2c1)CNC3CCCOC3 34a_100000719290_100000730559 [0,1,0,0,0,0|2,1,0]=4 543 B20R3.94169 Brc1ccc2oc(nc2c1)CNC3CCOCC3 2230a_100000741149_100000730559 [0,1,0,0,0,0|2,1,0]=4 544 B20R3.94169 Brc1ccc2oc(nc2c1)CNC3CCOCC3 34a_100000741149_100000730559 [0,1,0,0,0,0|2,1,0]=4 545 B20R3.94169 Brc1ccc2oc(nc2c1)CNC3CCSCC3 2230a_100000748639_100000730559 [0,1,0,0,0,0|2,1,0]=4 546 B20R3.94169 Brc1ccc2oc(nc2c1)CNC3CCSCC3 34a_100000748639_100000730559 [0,1,0,0,0,0|2,1,0]=4 547 B20R3.94169 Brc1ccc2oc(nc2c1)COC3CCCCC3 34a_100000210231_100000730559 [0,1,0,0,0,0|2,1,0]=4 548 B20R3.94169 Brc1ccc2oc(nc2c1)COC3CCCCC3 7a_100000210231_100000730559 [0,1,0,0,0,0|2,1,0]=4 549 B20R3.94169 Brc1ccc2sc(cc2c1)CNC3CCCOC3 207a_100000719290_100010238522 [0,1,0,0,0,0|3,0,0]=4 550 B20R3.94169 Brc1ccc2sc(cc2c1)CNC3CCCOC3 270004a_100000719290_100010238522 [0,1,0,0,0,0|3,0,0]=4 551 B20R3.94169 Brc1ccc2sc(cc2c1)CNC3CCOCC3 207a_100000741149_100010238522 [0,1,0,0,0,0|3,0,0]=4 552 B20R3.94169 Brc1ccc2sc(cc2c1)CNC3CCOCC3 270004a_100000741149_100010238522 [0,1,0,0,0,0|3,0,0]=4 553 B20R3.94169 Brc1ccc2sc(cc2c1)CNC3CCSCC3 207a_100000748639_100010238522 [0,1,0,0,0,0|3,0,0]=4 554 B20R3.94169 Brc1ccc2sc(cc2c1)CNC3CCSCC3 270004a_100000748639_100010238522 [0,1,0,0,0,0|3,0,0]=4 555 B20R3.94169 Brc1ccn2cc(nc2c1)CNC3CCCCC3 207a_100000182618_100000731868 [0,1,0,0,0,0|3,0,0]=4 556 B20R3.94169 Cc1ccc2[nH]c(cc2c1)CNC3CCCCC3 207a_100000182618_100000084633 [0,1,0,0,0,0|2,0,1]=4 557 B20R3.94169 Cc1ccc2[nH]c(cc2c1)CNC3CCCCC3 270004a_100000182618_100000084633 [0,1,0,0,0,0|2,0,1]=4 558 B20R3.94169 Cc1ccc2[nH]c(nc2c1)CNC3CCCCC3 270004a_100000754707_100000210434 [0,1,0,0,0,0|2,0,0]=3 559 B20R3.94169 Cc1ccc2[nH]c(nc2c1)CNC3CCCOC3 270004a_100000754707_100000753404 [0,1,0,0,0,0|3,0,0]=4 560 B20R3.94169 Cc1ccc2[nH]c(nc2c1)CNC3CCCSC3 270004a_100000754707_100000057913 [0,1,0,0,0,0|3,0,0]=4 561 B20R3.94169 Cc1ccc2[nH]c(nc2c1)CNC3CCNCC3 270004a_100000754707_100015192401 [0,1,0,0,0,0|3,0,0]=4 562 B20R3.94169 Cc1ccc2[nH]c(nc2c1)CNC3CCOCC3 270004a_100000754707_100011217826 [0,1,0,0,0,0|3,0,0]=4 563 B20R3.94169 Cc1ccc2[nH]c(nc2c1)CNC3CCSCC3 270004a_100000754707_100000203788 [0,1,0,0,0,0|3,0,0]=4 564 B20R3.94169 Cc1ccc2nc([nH]c2c1)CNC3CCCCC3 2230a_100000182618_100020603265 [0,1,0,0,0,0|2,0,0]=3 565 B20R3.94169 Cc1ccc2nc([nH]c2c1)CNC3CCCCC3 34a_100000182618_100020603265 [0,1,0,0,0,0|2,0,0]=3 566 B20R3.94169 Cc1ccc2nc([nH]c2c1)CNC3CCCOC3 2230a_100000719290_100020603265 [0,1,0,0,0,0|3,0,0]=4 567 B20R3.94169 Cc1ccc2nc([nH]c2c1)CNC3CCCOC3 34a_100000719290_100020603265 [0,1,0,0,0,0|3,0,0]=4 568 B20R3.94169 Cc1ccc2nc([nH]c2c1)CNC3CCOCC3 2230a_100000741149_100020603265 [0,1,0,0,0,0|3,0,0]=4 569 B20R3.94169 Cc1ccc2nc([nH]c2c1)CNC3CCOCC3 34a_100000741149_100020603265 [0,1,0,0,0,0|3,0,0]=4 570 B20R3.94169 Cc1ccc2nc([nH]c2c1)CNC3CCSCC3 2230a_100000748639_100020603265 [0,1,0,0,0,0|3,0,0]=4 571 B20R3.94169 Cc1ccc2nc([nH]c2c1)CNC3CCSCC3 34a_100000748639_100020603265 [0,1,0,0,0,0|3,0,0]=4 572 B20R3.94169 Cc1ccc2nc([nH]c2c1)COC3CCCCC3 34a_100000210231_100020603265 [0,1,0,0,0,0|3,0,0]=4 573 B20R3.94169 Cc1ccc2nc([nH]c2c1)COC3CCCCC3 7a_100000210231_100020603265 [0,1,0,0,0,0|3,0,0]=4 574 B20R3.94169 Cc1ccc2nc(cn2c1)CNC3CCCCC3 2230a_100000182618_100000688364 [0,1,0,0,0,0|3,0,0]=4 575 B20R3.94169 Cc1ccc2nc(cn2c1)CNC3CCCCC3 270004a_103437854201_100000210434 [0,1,0,0,0,0|3,0,0]=4 576 B20R3.94169 Cc1ccc2nc(oc2c1)CNC3CCCCC3 2230a_100000182618_100011295139 [0,1,0,0,0,0|1,1,0]=3 577 B20R3.94169 Cc1ccc2nc(oc2c1)CNC3CCCCC3 34a_100000182618_100011295139 [0,1,0,0,0,0|1,1,0]=3 578 B20R3.94169 Cc1ccc2nc(oc2c1)CNC3CCCOC3 2230a_100000719290_100011295139 [0,1,0,0,0,0|2,1,0]=4 579 B20R3.94169 Cc1ccc2nc(oc2c1)CNC3CCCOC3 34a_100000719290_100011295139 [0,1,0,0,0,0|2,1,0]=4 580 B20R3.94169 Cc1ccc2nc(oc2c1)CNC3CCOCC3 2230a_100000741149_100011295139 [0,1,0,0,0,0|2,1,0]=4 581 B20R3.94169 Cc1ccc2nc(oc2c1)CNC3CCOCC3 34a_100000741149_100011295139 [0,1,0,0,0,0|2,1,0]=4 582 B20R3.94169 Cc1ccc2nc(oc2c1)CNC3CCSCC3 2230a_100000748639_100011295139 [0,1,0,0,0,0|2,1,0]=4 583 B20R3.94169 Cc1ccc2nc(oc2c1)CNC3CCSCC3 34a_100000748639_100011295139 [0,1,0,0,0,0|2,1,0]=4 584 B20R3.94169 Cc1ccc2nc(oc2c1)COC3CCCCC3 34a_100000210231_100011295139 [0,1,0,0,0,0|2,1,0]=4 585 B20R3.94169 Cc1ccc2nc(oc2c1)COC3CCCCC3 7a_100000210231_100011295139 [0,1,0,0,0,0|2,1,0]=4 586 B20R3.94169 Cc1ccc2nc(oc2c1)CSC3CCCCC3 62a_100000210327_100011295139 [0,1,0,0,0,0|2,1,0]=4 587 B20R3.94169 Cc1ccc2nc(sc2c1)NCC3CCCCC3 27a_100000210473_100010186437 [0,1,0,0,0,0|2,0,0]=3 588 B20R3.94169 Cc1ccc2nc(sc2c1)NCC3CCCCO3 27a_100000174945_100010186437 [0,1,0,0,0,0|3,0,0]=4 589 B20R3.94169 Cc1ccc2nc(sc2c1)NCC3CCCOC3 27a_100000720124_100010186437 [0,1,0,0,0,0|3,0,0]=4 590 B20R3.94169 Cc1ccc2nc(sc2c1)NCC3CCOCC3 27a_100000746373_100010186437 [0,1,0,0,0,0|3,0,0]=4 591 B20R3.94169 Cc1ccc2nc(sc2c1)NCC3CCSCC3 27a_100015188806_100010186437 [0,1,0,0,0,0|3,0,0]=4 592 B20R3.94169 Cc1ccc2nc(sc2c1)NN=C3CCCCC3 4a_100000067901_100000210434 [0,1,0,0,0,0|1,0,2]=4 593 B20R3.94169 Cc1ccc2nc(sc2c1)SCC3CCCCO3 62a_100000211543_100010186437 [0,1,0,0,0,0|2,0,0]=3 594 B20R3.94169 Cc1ccc2nc(sc2c1)SCC3CCCOC3 62a_100000741521_100010186437 [0,1,0,0,0,0|2,0,0]=3 595 B20R3.94169 Cc1ccc2nc(sc2c1)SCC3CCOCC3 62a_100000754603_100010186437 [0,1,0,0,0,0|2,0,0]=3 596 B20R3.94169 Cc1ccc2oc(nc2c1)CNC3CCCCC3 2230a_100000182618_100011374149 [0,1,0,0,0,0|1,1,0]=3 597 B20R3.94169 Cc1ccc2oc(nc2c1)CNC3CCCCC3 34a_100000182618_100011374149 [0,1,0,0,0,0|1,1,0]=3 598 B20R3.94169 Cc1ccc2oc(nc2c1)CNC3CCCOC3 2230a_100000719290_100011374149 [0,1,0,0,0,0|2,1,0]=4 599 B20R3.94169 Cc1ccc2oc(nc2c1)CNC3CCCOC3 34a_100000719290_100011374149 [0,1,0,0,0,0|2,1,0]=4 600 B20R3.94169 Cc1ccc2oc(nc2c1)CNC3CCOCC3 2230a_100000741149_100011374149 [0,1,0,0,0,0|2,1,0]=4 601 B20R3.94169 Cc1ccc2oc(nc2c1)CNC3CCOCC3 34a_100000741149_100011374149 [0,1,0,0,0,0|2,1,0]=4 602 B20R3.94169 Cc1ccc2oc(nc2c1)CNC3CCSCC3 2230a_100000748639_100011374149 [0,1,0,0,0,0|2,1,0]=4 603 B20R3.94169 Cc1ccc2oc(nc2c1)CNC3CCSCC3 34a_100000748639_100011374149 [0,1,0,0,0,0|2,1,0]=4 604 B20R3.94169 Cc1ccc2oc(nc2c1)COC3CCCCC3 34a_100000210231_100011374149 [0,1,0,0,0,0|2,1,0]=4 605 B20R3.94169 Cc1ccc2oc(nc2c1)COC3CCCCC3 7a_100000210231_100011374149 [0,1,0,0,0,0|2,1,0]=4 606 B20R3.94169 Cc1ccc2oc(nc2c1)CSC3CCCCC3 62a_100000210327_100011374149 [0,1,0,0,0,0|2,1,0]=4 607 B20R3.94169 Cc1ccc2sc(cc2c1)CNC3CCCCC3 207a_100000182618_100000050833 [0,1,0,0,0,0|2,0,0]=3 608 B20R3.94169 Cc1ccc2sc(cc2c1)CNC3CCCCC3 270004a_100000182618_100000050833 [0,1,0,0,0,0|2,0,0]=3 609 B20R3.94169 Cc1ccc2sc(cc2c1)CNC3CCCOC3 207a_100000719290_100000050833 [0,1,0,0,0,0|3,0,0]=4 610 B20R3.94169 Cc1ccc2sc(cc2c1)CNC3CCCOC3 270004a_100000719290_100000050833 [0,1,0,0,0,0|3,0,0]=4 611 B20R3.94169 Cc1ccc2sc(cc2c1)CNC3CCOCC3 207a_100000741149_100000050833 [0,1,0,0,0,0|3,0,0]=4 612 B20R3.94169 Cc1ccc2sc(cc2c1)CNC3CCOCC3 270004a_100000741149_100000050833 [0,1,0,0,0,0|3,0,0]=4 613 B20R3.94169 Cc1ccc2sc(cc2c1)CNC3CCSCC3 207a_100000748639_100000050833 [0,1,0,0,0,0|3,0,0]=4 614 B20R3.94169 Cc1ccc2sc(cc2c1)CNC3CCSCC3 270004a_100000748639_100000050833 [0,1,0,0,0,0|3,0,0]=4 615 B20R3.94169 Cc1ccn2cc(nc2c1)CNC3CCCCC3 207a_100000182618_200012001332 [0,1,0,0,0,0|3,0,0]=4 616 B20R3.94169 Cc1ccn2cc(nc2c1)CNC3CCCCC3 2230a_100000182618_200015186621 [0,1,0,0,0,0|3,0,0]=4 617 B20R3.94169 Cc1ccn2cc(nc2c1)CNC3CCCCC3 270004a_100000051432_100000210434 [0,1,0,0,0,0|3,0,0]=4 618 B20R3.94169 Cc1ccn2cc(nc2c1)CNC3CCCCC3 34a_100000182618_200015186621 [0,1,0,0,0,0|3,0,0]=4 619 B20R3.94169 Clc1ccc2[nH]c(cc2c1)CNC3CCCCC3 207a_100000182618_100000084621 [0,1,0,0,0,0|2,0,1]=4 620 B20R3.94169 Clc1ccc2[nH]c(cc2c1)CNC3CCCCC3 270004a_100000182618_100000084621 [0,1,0,0,0,0|2,0,1]=4 621 B20R3.94169 Clc1ccc2[nH]c(cc2c1)CNC3CCCCC3 270004a_100000217048_100000210434 [0,1,0,0,0,0|2,0,1]=4 622 B20R3.94169 Clc1ccc2[nH]c(nc2c1)CNC3CCCCC3 2230a_100000182618_100000179801 [0,1,0,0,0,0|2,0,0]=3 623 B20R3.94169 Clc1ccc2[nH]c(nc2c1)CNC3CCCOC3 2230a_100000719290_100000179801 [0,1,0,0,0,0|3,0,0]=4 624 B20R3.94169 Clc1ccc2[nH]c(nc2c1)CNC3CCOCC3 2230a_100000741149_100000179801 [0,1,0,0,0,0|3,0,0]=4 625 B20R3.94169 Clc1ccc2[nH]c(nc2c1)CNC3CCSCC3 2230a_100000748639_100000179801 [0,1,0,0,0,0|3,0,0]=4 626 B20R3.94169 Clc1ccc2[nH]c(nc2c1)COC3CCCCC3 7a_100000210231_100000179801 [0,1,0,0,0,0|3,0,0]=4 627 B20R3.94169 Clc1ccc2c(c1)CC(=NNC3CCCCC3)C2 4a_100000709804_100000092892 [0,1,0,0,0,0|3,0,0]=4 628 B20R3.94169 Clc1ccc2cc([nH]c2c1)CNC3CCCCC3 270004a_100000182618_100000100868 [0,1,0,0,0,0|2,0,1]=4 629 B20R3.94169 Clc1ccc2nc(cn2c1)CNC3CCCCC3 2230a_100000182618_100000689856 [0,1,0,0,0,0|3,0,0]=4 630 B20R3.94169 Clc1ccc2nc(cn2c1)CNC3CCCCC3 34a_100000182618_100000689856 [0,1,0,0,0,0|3,0,0]=4 631 B20R3.94169 Clc1ccc2nc(sc2c1)NN=C3CCCCC3 4a_100000043616_100000210434 [0,1,0,0,0,0|1,0,2]=4 632 B20R3.94169 Clc1ccc2oc(cc2c1)CNC3CCCCC3 207a_100000182618_100012003054 [0,1,0,0,0,0|2,1,0]=4 633 B20R3.94169 Clc1ccc2oc(cc2c1)CNC3CCCCC3 270004a_100000182618_100012003054 [0,1,0,0,0,0|2,1,0]=4 634 B20R3.94169 Clc1ccc2oc(nc2c1)CNC3CCCCC3 2230a_100000182618_100011222916 [0,1,0,0,0,0|1,1,0]=3 635 B20R3.94169 Clc1ccc2oc(nc2c1)CNC3CCCOC3 2230a_100000719290_100011222916 [0,1,0,0,0,0|2,1,0]=4 636 B20R3.94169 Clc1ccc2oc(nc2c1)CNC3CCOCC3 2230a_100000741149_100011222916 [0,1,0,0,0,0|2,1,0]=4 637 B20R3.94169 Clc1ccc2oc(nc2c1)CNC3CCSCC3 2230a_100000748639_100011222916 [0,1,0,0,0,0|2,1,0]=4 638 B20R3.94169 Clc1ccc2oc(nc2c1)COC3CCCCC3 7a_100000210231_100011222916 [0,1,0,0,0,0|2,1,0]=4 639 B20R3.94169 Clc1ccc2sc(cc2c1)CNC3CCCCC3 207a_100000182618_200000119088 [0,1,0,0,0,0|2,0,0]=3 640 B20R3.94169 Clc1ccc2sc(cc2c1)CNC3CCCCC3 270004a_100000182618_200000119088 [0,1,0,0,0,0|2,0,0]=3 641 B20R3.94169 Clc1ccc2sc(cc2c1)CNC3CCCOC3 207a_100000719290_200000119088 [0,1,0,0,0,0|3,0,0]=4 642 B20R3.94169 Clc1ccc2sc(cc2c1)CNC3CCCOC3 270004a_100000719290_200000119088 [0,1,0,0,0,0|3,0,0]=4 643 B20R3.94169 Clc1ccc2sc(cc2c1)CNC3CCOCC3 207a_100000741149_200000119088 [0,1,0,0,0,0|3,0,0]=4 644 B20R3.94169 Clc1ccc2sc(cc2c1)CNC3CCOCC3 270004a_100000741149_200000119088 [0,1,0,0,0,0|3,0,0]=4 645 B20R3.94169 Clc1ccc2sc(cc2c1)CNC3CCSCC3 207a_100000748639_200000119088 [0,1,0,0,0,0|3,0,0]=4 646 B20R3.94169 Clc1ccc2sc(cc2c1)CNC3CCSCC3 270004a_100000748639_200000119088 [0,1,0,0,0,0|3,0,0]=4 647 B20R3.94169 Clc1ccc2sc(nc2c1)NN=C3CCCCC3 4a_100000026785_100000210434 [0,1,0,0,0,0|1,0,2]=4 648 B20R3.94169 Fc1ccc2[nH]c(cc2c1)CNC3CCCCC3 207a_100000182618_100000050952 [0,1,0,0,0,0|2,0,1]=4 649 B20R3.94169 Fc1ccc2[nH]c(cc2c1)CNC3CCCCC3 270004a_100000182618_100000050952 [0,1,0,0,0,0|2,0,1]=4 650 B20R3.94169 Fc1ccc2[nH]c(nc2c1)CNC3CCCCC3 207a_100000182618_200011915233 [0,1,0,0,0,0|2,0,0]=3 651 B20R3.94169 Fc1ccc2[nH]c(nc2c1)CNC3CCCCC3 270004a_100000182618_200011915233 [0,1,0,0,0,0|2,0,0]=3 652 B20R3.94169 Fc1ccc2[nH]c(nc2c1)CNC3CCCOC3 207a_100000719290_200011915233 [0,1,0,0,0,0|3,0,0]=4 653 B20R3.94169 Fc1ccc2[nH]c(nc2c1)CNC3CCCOC3 270004a_100000719290_200011915233 [0,1,0,0,0,0|3,0,0]=4 654 B20R3.94169 Fc1ccc2[nH]c(nc2c1)CNC3CCOCC3 207a_100000741149_200011915233 [0,1,0,0,0,0|3,0,0]=4 655 B20R3.94169 Fc1ccc2[nH]c(nc2c1)CNC3CCOCC3 270004a_100000741149_200011915233 [0,1,0,0,0,0|3,0,0]=4 656 B20R3.94169 Fc1ccc2[nH]c(nc2c1)CNC3CCSCC3 207a_100000748639_200011915233 [0,1,0,0,0,0|3,0,0]=4 657 B20R3.94169 Fc1ccc2[nH]c(nc2c1)CNC3CCSCC3 270004a_100000748639_200011915233 [0,1,0,0,0,0|3,0,0]=4 658 B20R3.94169 Fc1ccc2nc([nH]c2c1)CNC3CCCCC3 2230a_100000182618_200011347187 [0,1,0,0,0,0|2,0,0]=3 659 B20R3.94169 Fc1ccc2nc([nH]c2c1)CNC3CCCOC3 2230a_100000719290_200011347187 [0,1,0,0,0,0|3,0,0]=4 660 B20R3.94169 Fc1ccc2nc([nH]c2c1)CNC3CCOCC3 2230a_100000741149_200011347187 [0,1,0,0,0,0|3,0,0]=4 661 B20R3.94169 Fc1ccc2nc([nH]c2c1)CNC3CCSCC3 2230a_100000748639_200011347187 [0,1,0,0,0,0|3,0,0]=4 662 B20R3.94169 Fc1ccc2nc([nH]c2c1)COC3CCCCC3 7a_100000210231_200011347187 [0,1,0,0,0,0|3,0,0]=4 663 B20R3.94169 Fc1ccc2nc(cn2c1)SCC3CCCCC3 62a_100000211423_100010231931 [0,1,0,0,0,0|3,0,0]=4 664 B20R3.94169 Fc1ccc2nc(cn2c1)SCC3CCCCC3 62a_100010231931_100000211423 [0,1,0,0,0,0|3,0,0]=4 665 B20R3.94169 Fc1ccc2nc(oc2c1)CNC3CCCCC3 2230a_100000182618_100000687025 [0,1,0,0,0,0|1,1,0]=3 666 B20R3.94169 Fc1ccc2nc(oc2c1)CNC3CCCCC3 34a_100000182618_100000687025 [0,1,0,0,0,0|1,1,0]=3 667 B20R3.94169 Fc1ccc2nc(oc2c1)CNC3CCCOC3 2230a_100000719290_100000687025 [0,1,0,0,0,0|2,1,0]=4 668 B20R3.94169 Fc1ccc2nc(oc2c1)CNC3CCCOC3 34a_100000719290_100000687025 [0,1,0,0,0,0|2,1,0]=4 669 B20R3.94169 Fc1ccc2nc(oc2c1)CNC3CCOCC3 2230a_100000741149_100000687025 [0,1,0,0,0,0|2,1,0]=4 670 B20R3.94169 Fc1ccc2nc(oc2c1)CNC3CCOCC3 34a_100000741149_100000687025 [0,1,0,0,0,0|2,1,0]=4 671 B20R3.94169 Fc1ccc2nc(oc2c1)CNC3CCSCC3 2230a_100000748639_100000687025 [0,1,0,0,0,0|2,1,0]=4 672 B20R3.94169 Fc1ccc2nc(oc2c1)CNC3CCSCC3 34a_100000748639_100000687025 [0,1,0,0,0,0|2,1,0]=4 673 B20R3.94169 Fc1ccc2nc(oc2c1)COC3CCCCC3 34a_100000210231_100000687025 [0,1,0,0,0,0|2,1,0]=4 674 B20R3.94169 Fc1ccc2nc(oc2c1)COC3CCCCC3 7a_100000210231_100000687025 [0,1,0,0,0,0|2,1,0]=4 675 B20R3.94169 Fc1ccc2nc(oc2c1)CSC3CCCCC3 62a_100000210327_100000687025 [0,1,0,0,0,0|2,1,0]=4 676 B20R3.94169 Fc1ccc2nc(sc2c1)NCC3CCCCC3 27a_100000210473_100000751617 [0,1,0,0,0,0|2,0,0]=3 677 B20R3.94169 Fc1ccc2nc(sc2c1)NCC3CCCCO3 27a_100000174945_100000751617 [0,1,0,0,0,0|3,0,0]=4 678 B20R3.94169 Fc1ccc2nc(sc2c1)NCC3CCCOC3 27a_100000720124_100000751617 [0,1,0,0,0,0|3,0,0]=4 679 B20R3.94169 Fc1ccc2nc(sc2c1)NCC3CCOCC3 27a_100000746373_100000751617 [0,1,0,0,0,0|3,0,0]=4 680 B20R3.94169 Fc1ccc2nc(sc2c1)NCC3CCSCC3 27a_100015188806_100000751617 [0,1,0,0,0,0|3,0,0]=4 681 B20R3.94169 Fc1ccc2nc(sc2c1)NN=C3CCCCC3 4a_100000081544_100000210434 [0,1,0,0,0,0|1,0,2]=4 682 B20R3.94169 Fc1ccc2nc(sc2c1)SCC3CCCCO3 62a_100000211543_100000751617 [0,1,0,0,0,0|2,0,0]=3 683 B20R3.94169 Fc1ccc2nc(sc2c1)SCC3CCCCO3 62a_100000751617_100000211543 [0,1,0,0,0,0|2,0,0]=3 684 B20R3.94169 Fc1ccc2nc(sc2c1)SCC3CCCOC3 62a_100000741521_100000751617 [0,1,0,0,0,0|2,0,0]=3 685 B20R3.94169 Fc1ccc2nc(sc2c1)SCC3CCCOC3 62a_100000751617_100000741521 [0,1,0,0,0,0|2,0,0]=3 686 B20R3.94169 Fc1ccc2nc(sc2c1)SCC3CCOCC3 62a_100000751617_100000749018 [0,1,0,0,0,0|2,0,0]=3 687 B20R3.94169 Fc1ccc2nc(sc2c1)SCC3CCOCC3 62a_100000754603_100000751617 [0,1,0,0,0,0|2,0,0]=3 688 B20R3.94169 Fc1ccc2nc(sc2n1)C=CC3CCCCC3 271570a_100016283615_200010738066 [0,1,0,0,0,0|3,0,0]=4 689 B20R3.94169 Fc1ccc2nc(sc2n1)NCC3CCCCC3 27a_100000210473_200010738066 [0,1,0,0,0,0|3,0,0]=4 690 B20R3.94169 Fc1ccc2nc(sc2n1)SCC3CCCCC3 62a_100000211423_200010738066 [0,1,0,0,0,0|2,0,0]=3 691 B20R3.94169 Fc1ccc2nc(sc2n1)SCC3CCCCC3 62a_200010738066_100000211423 [0,1,0,0,0,0|2,0,0]=3 692 B20R3.94169 Fc1ccc2nc(sc2n1)SCC3CCCCO3 62a_100000211543_200010738066 [0,1,0,0,0,0|3,0,0]=4 693 B20R3.94169 Fc1ccc2nc(sc2n1)SCC3CCCCO3 62a_200010738066_100000211543 [0,1,0,0,0,0|3,0,0]=4 694 B20R3.94169 Fc1ccc2nc(sc2n1)SCC3CCCOC3 62a_100000741521_200010738066 [0,1,0,0,0,0|3,0,0]=4 695 B20R3.94169 Fc1ccc2nc(sc2n1)SCC3CCCOC3 62a_200010738066_100000741521 [0,1,0,0,0,0|3,0,0]=4 696 B20R3.94169 Fc1ccc2nc(sc2n1)SCC3CCOCC3 62a_100000754603_200010738066 [0,1,0,0,0,0|3,0,0]=4 697 B20R3.94169 Fc1ccc2nc(sc2n1)SCC3CCOCC3 62a_200010738066_100000749018 [0,1,0,0,0,0|3,0,0]=4 698 B20R3.94169 Fc1ccc2oc(nc2c1)CNC3CCCCC3 2230a_100000182618_100000687093 [0,1,0,0,0,0|1,1,0]=3 699 B20R3.94169 Fc1ccc2oc(nc2c1)CNC3CCCCC3 34a_100000182618_100000687093 [0,1,0,0,0,0|1,1,0]=3 700 B20R3.94169 Fc1ccc2oc(nc2c1)CNC3CCCOC3 2230a_100000719290_100000687093 [0,1,0,0,0,0|2,1,0]=4 701 B20R3.94169 Fc1ccc2oc(nc2c1)CNC3CCCOC3 34a_100000719290_100000687093 [0,1,0,0,0,0|2,1,0]=4 702 B20R3.94169 Fc1ccc2oc(nc2c1)CNC3CCOCC3 2230a_100000741149_100000687093 [0,1,0,0,0,0|2,1,0]=4 703 B20R3.94169 Fc1ccc2oc(nc2c1)CNC3CCOCC3 34a_100000741149_100000687093 [0,1,0,0,0,0|2,1,0]=4 704 B20R3.94169 Fc1ccc2oc(nc2c1)CNC3CCSCC3 2230a_100000748639_100000687093 [0,1,0,0,0,0|2,1,0]=4 705 B20R3.94169 Fc1ccc2oc(nc2c1)CNC3CCSCC3 34a_100000748639_100000687093 [0,1,0,0,0,0|2,1,0]=4 706 B20R3.94169 Fc1ccc2oc(nc2c1)COC3CCCCC3 34a_100000210231_100000687093 [0,1,0,0,0,0|2,1,0]=4 707 B20R3.94169 Fc1ccc2oc(nc2c1)COC3CCCCC3 7a_100000210231_100000687093 [0,1,0,0,0,0|2,1,0]=4 708 B20R3.94169 Fc1ccc2oc(nc2c1)CSC3CCCCC3 62a_100000210327_100000687093 [0,1,0,0,0,0|2,1,0]=4 709 B20R3.94169 Fc1ccc2sc(nc2c1)NCC3CCCCC3 27a_100000210473_200010206605 [0,1,0,0,0,0|2,0,0]=3 710 B20R3.94169 Fc1ccc2sc(nc2c1)NCC3CCCCO3 27a_100000174945_200010206605 [0,1,0,0,0,0|3,0,0]=4 711 B20R3.94169 Fc1ccc2sc(nc2c1)NCC3CCCOC3 27a_100000720124_200010206605 [0,1,0,0,0,0|3,0,0]=4 712 B20R3.94169 Fc1ccc2sc(nc2c1)NCC3CCOCC3 27a_100000746373_200010206605 [0,1,0,0,0,0|3,0,0]=4 713 B20R3.94169 Fc1ccc2sc(nc2c1)NCC3CCSCC3 27a_100015188806_200010206605 [0,1,0,0,0,0|3,0,0]=4 714 B20R3.94169 Fc1ccc2sc(nc2c1)SCC3CCCCO3 62a_100000211543_200010206605 [0,1,0,0,0,0|2,0,0]=3 715 B20R3.94169 Fc1ccc2sc(nc2c1)SCC3CCCCO3 62a_200010206605_100000211543 [0,1,0,0,0,0|2,0,0]=3 716 B20R3.94169 Fc1ccc2sc(nc2c1)SCC3CCCOC3 62a_100000741521_200010206605 [0,1,0,0,0,0|2,0,0]=3 717 B20R3.94169 Fc1ccc2sc(nc2c1)SCC3CCCOC3 62a_200010206605_100000741521 [0,1,0,0,0,0|2,0,0]=3 718 B20R3.94169 Fc1ccc2sc(nc2c1)SCC3CCOCC3 62a_100000754603_200010206605 [0,1,0,0,0,0|2,0,0]=3 719 B20R3.94169 Fc1ccc2sc(nc2c1)SCC3CCOCC3 62a_200010206605_100000749018 [0,1,0,0,0,0|2,0,0]=3 720 B20R3.94169 Nc1ccc2nc(sc2c1)C=CC3CCCCC3 271570a_100016283615_100010253933 [0,1,0,0,0,0|2,0,0]=3 721 B20R3.94169 Nc1ccc2nc(sc2c1)NCC3CCCCC3 27a_100000210473_100010253933 [0,1,0,0,0,0|2,0,0]=3 722 B20R3.94169 Nc1ccc2nc(sc2c1)NCC3CCCCO3 27a_100000174945_100010253933 [0,1,0,0,0,0|3,0,0]=4 723 B20R3.94169 Nc1ccc2nc(sc2c1)NCC3CCCOC3 27a_100000720124_100010253933 [0,1,0,0,0,0|3,0,0]=4 724 B20R3.94169 Nc1ccc2nc(sc2c1)NCC3CCOCC3 27a_100000746373_100010253933 [0,1,0,0,0,0|3,0,0]=4 725 B20R3.94169 Nc1ccc2nc(sc2c1)NCC3CCSCC3 27a_100015188806_100010253933 [0,1,0,0,0,0|3,0,0]=4 726 B20R3.94169 Nc1ccc2nc(sc2c1)SCC3CCCCC3 62a_100000211423_100010253933 [0,1,0,0,0,0|1,0,0]=2 727 B20R3.94169 Nc1ccc2nc(sc2c1)SCC3CCCCC3 62a_100010253933_100000211423 [0,1,0,0,0,0|1,0,0]=2 728 B20R3.94169 Nc1ccc2nc(sc2c1)SCC3CCCCO3 62a_100000211543_100010253933 [0,1,0,0,0,0|2,0,0]=3 729 B20R3.94169 Nc1ccc2nc(sc2c1)SCC3CCCCO3 62a_100010253933_100000211543 [0,1,0,0,0,0|2,0,0]=3 730 B20R3.94169 Nc1ccc2nc(sc2c1)SCC3CCCOC3 62a_100000741521_100010253933 [0,1,0,0,0,0|2,0,0]=3 731 B20R3.94169 Nc1ccc2nc(sc2c1)SCC3CCCOC3 62a_100010253933_100000741521 [0,1,0,0,0,0|2,0,0]=3 732 B20R3.94169 Nc1ccc2nc(sc2c1)SCC3CCOCC3 62a_100000754603_100010253933 [0,1,0,0,0,0|2,0,0]=3 733 B20R3.94169 Nc1ccc2nc(sc2c1)SCC3CCOCC3 62a_100010253933_100000749018 [0,1,0,0,0,0|2,0,0]=3 734 B20R3.94169 Nc1ccc2sc(nc2c1)C=CC3CCCCC3 271570a_100016283615_100010329861 [0,1,0,0,0,0|2,0,0]=3 735 B20R3.94169 Nc1ccc2sc(nc2c1)NCC3CCCCC3 27a_100000210473_100010329861 [0,1,0,0,0,0|2,0,0]=3 736 B20R3.94169 Nc1ccc2sc(nc2c1)NCC3CCCCO3 27a_100000174945_100010329861 [0,1,0,0,0,0|3,0,0]=4 737 B20R3.94169 Nc1ccc2sc(nc2c1)NCC3CCCOC3 27a_100000720124_100010329861 [0,1,0,0,0,0|3,0,0]=4 738 B20R3.94169 Nc1ccc2sc(nc2c1)NCC3CCOCC3 27a_100000746373_100010329861 [0,1,0,0,0,0|3,0,0]=4 739 B20R3.94169 Nc1ccc2sc(nc2c1)NCC3CCSCC3 27a_100015188806_100010329861 [0,1,0,0,0,0|3,0,0]=4 740 B20R3.94169 Nc1ccc2sc(nc2c1)SCC3CCCCC3 62a_100000211423_100010329861 [0,1,0,0,0,0|1,0,0]=2 741 B20R3.94169 Nc1ccc2sc(nc2c1)SCC3CCCCC3 62a_100010329861_100000211423 [0,1,0,0,0,0|1,0,0]=2 742 B20R3.94169 Nc1ccc2sc(nc2c1)SCC3CCCCO3 62a_100000211543_100010329861 [0,1,0,0,0,0|2,0,0]=3 743 B20R3.94169 Nc1ccc2sc(nc2c1)SCC3CCCCO3 62a_100010329861_100000211543 [0,1,0,0,0,0|2,0,0]=3 744 B20R3.94169 Nc1ccc2sc(nc2c1)SCC3CCCOC3 62a_100000741521_100010329861 [0,1,0,0,0,0|2,0,0]=3 745 B20R3.94169 Nc1ccc2sc(nc2c1)SCC3CCCOC3 62a_100010329861_100000741521 [0,1,0,0,0,0|2,0,0]=3 746 B20R3.94169 Nc1ccc2sc(nc2c1)SCC3CCOCC3 62a_100000754603_100010329861 [0,1,0,0,0,0|2,0,0]=3 747 B20R3.94169 Nc1ccc2sc(nc2c1)SCC3CCOCC3 62a_100010329861_100000749018 [0,1,0,0,0,0|2,0,0]=3 748 B20R3.94169 Oc1ccc2nc(sc2c1)C=CC3CCCCC3 271570a_100016283615_100010063415 [0,1,0,0,0,0|2,0,0]=3 749 B20R3.94169 Oc1ccc2nc(sc2c1)NCC3CCCCC3 27a_100000210473_100010063415 [0,1,0,0,0,0|2,0,0]=3 750 B20R3.94169 Oc1ccc2nc(sc2c1)NCC3CCCCO3 27a_100000174945_100010063415 [0,1,0,0,0,0|3,0,0]=4 751 B20R3.94169 Oc1ccc2nc(sc2c1)NCC3CCCOC3 27a_100000720124_100010063415 [0,1,0,0,0,0|3,0,0]=4 752 B20R3.94169 Oc1ccc2nc(sc2c1)NCC3CCOCC3 27a_100000746373_100010063415 [0,1,0,0,0,0|3,0,0]=4 753 B20R3.94169 Oc1ccc2nc(sc2c1)NCC3CCSCC3 27a_100015188806_100010063415 [0,1,0,0,0,0|3,0,0]=4 754 B20R3.94169 Oc1ccc2nc(sc2c1)SCC3CCCCC3 62a_100000211423_100010063415 [0,1,0,0,0,0|1,0,0]=2 755 B20R3.94169 Oc1ccc2nc(sc2c1)SCC3CCCCO3 62a_100000211543_100010063415 [0,1,0,0,0,0|2,0,0]=3 756 B20R3.94169 Oc1ccc2nc(sc2c1)SCC3CCCOC3 62a_100000741521_100010063415 [0,1,0,0,0,0|2,0,0]=3 757 B20R3.94169 Oc1ccc2nc(sc2c1)SCC3CCOCC3 62a_100000754603_100010063415 [0,1,0,0,0,0|2,0,0]=3 758 B20R3.97891 CC1CCCCC1=NNc2nc3ccccc3s2 4a_100000181811_100000210921 [0,1,0,0,0,0|1,0,2]=4 759 B20R3.97891 CC1CCCCC1NCc2cc3ccccc3[nH]2 270004a_100000211402_100000051030 [0,1,0,0,0,0|2,0,1]=4 760 B20R3.97891 CC1CCCCC1NCc2cc3ccccc3[nH]2 270004a_100015204011_100000210921 [0,1,0,0,0,0|2,0,1]=4 761 B20R3.97891 CC1CCCCC1NCc2cc3ccccc3o2 207a_100000211402_100000229944 [0,1,0,0,0,0|2,1,0]=4 762 B20R3.97891 CC1CCCCC1NCc2cc3ccccc3o2 269862a_100011220112_100000210921 [0,1,0,0,0,0|2,1,0]=4 763 B20R3.97891 CC1CCCCC1NCc2cc3ccccc3o2 270004a_100000211402_100000229944 [0,1,0,0,0,0|2,1,0]=4 764 B20R3.97891 CC1CCCCC1NCc2cc3ccccc3o2 270004a_100011220112_100000210921 [0,1,0,0,0,0|2,1,0]=4 765 B20R3.97891 CC1CCCCC1NCc2cc3ccccc3s2 207a_100000211402_100000686906 [0,1,0,0,0,0|2,0,0]=3 766 B20R3.97891 CC1CCCCC1NCc2cc3ccccc3s2 269862a_100015187092_100000210921 [0,1,0,0,0,0|2,0,0]=3 767 B20R3.97891 CC1CCCCC1NCc2cc3ccccc3s2 270004a_100000211402_100000686906 [0,1,0,0,0,0|2,0,0]=3 768 B20R3.97891 CC1CCCCC1NCc2cc3ccccc3s2 270004a_100015187092_100000210921 [0,1,0,0,0,0|2,0,0]=3 769 B20R3.97891 CC1CCCCC1NCc2cc3cccnc3s2 207a_100000211402_100000050461 [0,1,0,0,0,0|3,0,0]=4 770 B20R3.97891 CC1CCCCC1NCc2cc3cccnc3s2 270004a_100000211402_100000050461 [0,1,0,0,0,0|3,0,0]=4 771 B20R3.97891 CC1CCCCC1NCc2cc3cnccc3s2 207a_100000211402_100000054438 [0,1,0,0,0,0|3,0,0]=4 772 B20R3.97891 CC1CCCCC1NCc2cc3cnccc3s2 270004a_100000211402_100000054438 [0,1,0,0,0,0|3,0,0]=4 773 B20R3.97891 CC1CCCCC1NCc2cn3ccccc3n2 207a_100000211402_100000743146 [0,1,0,0,0,0|3,0,0]=4 774 B20R3.97891 CC1CCCCC1NCc2cn3ccccc3n2 2230a_100000211402_100000689847 [0,1,0,0,0,0|3,0,0]=4 775 B20R3.97891 CC1CCCCC1NCc2cn3ccccc3n2 269862a_100000195574_100000210921 [0,1,0,0,0,0|3,0,0]=4 776 B20R3.97891 CC1CCCCC1NCc2cn3ccccc3n2 270004a_100000195574_100000210921 [0,1,0,0,0,0|3,0,0]=4 777 B20R3.97891 CC1CCCCC1NCc2cn3ccccc3n2 34a_100000211402_100000689847 [0,1,0,0,0,0|3,0,0]=4 778 B20R3.97891 CC1CCCCC1NCc2nc3ccccc3[nH]2 207a_100000211402_100000185668 [0,1,0,0,0,0|2,0,0]=3 779 B20R3.97891 CC1CCCCC1NCc2nc3ccccc3[nH]2 2230a_100000211402_100000737899 [0,1,0,0,0,0|2,0,0]=3 780 B20R3.97891 CC1CCCCC1NCc2nc3ccccc3[nH]2 270004a_100000211402_100000185668 [0,1,0,0,0,0|2,0,0]=3 781 B20R3.97891 CC1CCCCC1NCc2nc3ccccc3[nH]2 270004a_100000729406_100000210921 [0,1,0,0,0,0|2,0,0]=3 782 B20R3.97891 CC1CCCCC1NCc2nc3ccccc3o2 2230a_100000211402_100000195508 [0,1,0,0,0,0|1,1,0]=3 783 B20R3.97891 CC1CCCCC1NCc2nc3ccccc3o2 270004a_100000733820_100000210921 [0,1,0,0,0,0|1,1,0]=3 784 B20R3.97891 CC1CCCCC1NCc2nc3ccccc3o2 34a_100000211402_200012361514 [0,1,0,0,0,0|1,1,0]=3 785 B20R3.97891 CC1CCCCC1NCc2nc3ccccc3s2 2230a_100000211402_100000766747 [0,1,0,0,0,0|1,0,0]=2 786 B20R3.97891 CC1CCCCC1NCc2nc3ccccc3s2 270004a_100000211402_100011204187 [0,1,0,0,0,0|1,0,0]=2 787 B20R3.97891 CC1CCCCC1NCc2nc3ccccc3s2 34a_100000211402_100011217541 [0,1,0,0,0,0|1,0,0]=2 788 B20R3.97891 CC1CCCCC1NCc2nc3cccnc3[nH]2 2230a_100000211402_100011549802 [0,1,0,0,0,0|3,0,0]=4 789 B20R3.97891 CC1CCCCC1NCc2nc3ncccc3o2 2230a_100000211402_100000696355 [0,1,0,0,0,0|2,1,0]=4 790 B20R3.97891 CC1CCCCC1OCc2nc3ccccc3[nH]2 7a_100000211207_100000737899 [0,1,0,0,0,0|3,0,0]=4 791 B20R3.97891 CC1CCCCC1OCc2nc3ccccc3o2 34a_100000211207_200012361514 [0,1,0,0,0,0|2,1,0]=4 792 B20R3.97891 CC1CCCCC1OCc2nc3ccccc3o2 7a_100000211207_100000195508 [0,1,0,0,0,0|2,1,0]=4 793 B20R3.97891 CC1CCCCC1OCc2nc3ccccc3s2 34a_100000211207_100011217541 [0,1,0,0,0,0|2,0,0]=3 794 B20R3.97891 CC1CCCCC1OCc2nc3ccccc3s2 7a_100000211207_100011217541 [0,1,0,0,0,0|2,0,0]=3 795 B20R3.97891 CC1CCNCC1OCc2nc3ccccc3s2 34a_100000696640_100011217541 [0,1,0,0,0,0|3,0,0]=4 796 B20R3.97891 CC1CNCCC1NCc2cc3ccccc3s2 270004a_100015187092_100000703950 [0,1,0,0,0,0|3,0,0]=4 797 B20R3.97891 CC1CNCCC1NCc2nc3ccccc3[nH]2 270004a_100000729406_100000703950 [0,1,0,0,0,0|3,0,0]=4 798 B20R3.97891 CC1CNCCC1NCc2nc3ccccc3o2 270004a_100000733820_100000703950 [0,1,0,0,0,0|2,1,0]=4 799 B20R3.97891 CC1CNCCC1OCc2nc3ccccc3s2 34a_100011998114_100011217541 [0,1,0,0,0,0|3,0,0]=4 800 B20R3.97891 CC1COCCC1NCc2cc3ccccc3s2 270004a_100015187092_100000755695 [0,1,0,0,0,0|3,0,0]=4 801 B20R3.97891 CC1COCCC1NCc2nc3ccccc3[nH]2 270004a_100000729406_100000755695 [0,1,0,0,0,0|3,0,0]=4 802 B20R3.97891 CC1COCCC1NCc2nc3ccccc3o2 270004a_100000733820_100000755695 [0,1,0,0,0,0|2,1,0]=4 803 B20R3.97891 CN1CCCCC1CNc2nc3ccccc3s2 27a_100011228421_100000751744 [0,1,0,0,0,0|3,0,0]=4 804 B20R3.97891 CN1CCCCC1CSc2cc3ccccc3s2 62a_100015185383_100009816949 [0,1,0,0,0,0|3,0,0]=4 805 B20R3.97891 CN1CCCCC1CSc2nc3ccccc3[nH]2 62a_100015185383_100009814255 [0,1,0,0,0,0|3,0,0]=4 806 B20R3.97891 CN1CCCCC1CSc2nc3ccccc3s2 62a_100015185383_100000751744 [0,1,0,0,0,0|2,0,0]=3 807 B20R3.97891 CN1CCCCC1CSc2nc3cccnc3s2 62a_100010188088_100015185383 [0,1,0,0,0,0|3,0,0]=4 808 B20R3.97891 CN1CCCCC1CSc2nc3cccnc3s2 62a_100015185383_100010188088 [0,1,0,0,0,0|3,0,0]=4 809 B20R3.97891 ClC1CCCCC1OCc2nc3ccccc3[nH]2 7a_100000038908_100000737899 [0,1,0,0,0,0|3,0,0]=4 810 B20R3.97891 ClC1CCCCC1OCc2nc3ccccc3o2 34a_100000038908_200012361514 [0,1,0,0,0,0|2,1,0]=4 811 B20R3.97891 ClC1CCCCC1OCc2nc3ccccc3o2 7a_100000038908_100000195508 [0,1,0,0,0,0|2,1,0]=4 812 B20R3.97891 ClC1CCCCC1OCc2nc3ccccc3s2 34a_100000038908_100011217541 [0,1,0,0,0,0|2,0,0]=3 813 B20R3.97891 ClC1CCCCC1OCc2nc3ccccc3s2 7a_100000038908_100011217541 [0,1,0,0,0,0|2,0,0]=3 814 B20R3.97891 FC1CCCCC1=NNc2nc3ccccc3s2 4a_100000181811_100000061856 [0,1,0,0,0,0|1,0,2]=4 815 B20R3.97891 FC1CCCCC1SCc2nc3ccccc3[nH]2 62a_100015423560_100000737899 [0,1,0,0,0,0|3,0,0]=4 816 B20R3.97891 FC1CCCCC1SCc2nc3ccccc3o2 62a_100015423560_100000195508 [0,1,0,0,0,0|2,1,0]=4 817 B20R3.97891 FC1CCCCC1SCc2nc3ccccc3s2 62a_100011217541_100015423560 [0,1,0,0,0,0|2,0,0]=3 818 B20R3.97891 FC1CCCCC1SCc2nc3ccccc3s2 62a_100015423560_100000766747 [0,1,0,0,0,0|2,0,0]=3 819 B20R3.97891 F[C@@H]1CCCC[C@H]1NCc2cc3ccccc3[nH]2 270004a_100015195156_100000051030 [0,1,0,0,0,0|2,0,1]=4 820 B20R3.97891 F[C@@H]1CCCC[C@H]1NCc2cc3ccccc3o2 207a_100015195156_100000229944 [0,1,0,0,0,0|2,1,0]=4 821 B20R3.97891 F[C@@H]1CCCC[C@H]1NCc2cc3ccccc3o2 270004a_100015195156_100000229944 [0,1,0,0,0,0|2,1,0]=4 822 B20R3.97891 F[C@@H]1CCCC[C@H]1NCc2cc3ccccc3s2 207a_100015195156_100000686906 [0,1,0,0,0,0|2,0,0]=3 823 B20R3.97891 F[C@@H]1CCCC[C@H]1NCc2cc3ccccc3s2 270004a_100015195156_100000686906 [0,1,0,0,0,0|2,0,0]=3 824 B20R3.97891 F[C@@H]1CCCC[C@H]1NCc2cc3cccnc3s2 207a_100015195156_100000050461 [0,1,0,0,0,0|3,0,0]=4 825 B20R3.97891 F[C@@H]1CCCC[C@H]1NCc2cc3cccnc3s2 270004a_100015195156_100000050461 [0,1,0,0,0,0|3,0,0]=4 826 B20R3.97891 F[C@@H]1CCCC[C@H]1NCc2cc3cnccc3s2 207a_100015195156_100000054438 [0,1,0,0,0,0|3,0,0]=4 827 B20R3.97891 F[C@@H]1CCCC[C@H]1NCc2cc3cnccc3s2 270004a_100015195156_100000054438 [0,1,0,0,0,0|3,0,0]=4 828 B20R3.97891 F[C@@H]1CCCC[C@H]1NCc2cn3ccccc3n2 207a_100015195156_100000743146 [0,1,0,0,0,0|3,0,0]=4 829 B20R3.97891 F[C@@H]1CCCC[C@H]1NCc2cn3ccccc3n2 2230a_100015195156_100000689847 [0,1,0,0,0,0|3,0,0]=4 830 B20R3.97891 F[C@@H]1CCCC[C@H]1NCc2cn3ccccc3n2 34a_100015195156_100000689847 [0,1,0,0,0,0|3,0,0]=4 831 B20R3.97891 F[C@@H]1CCCC[C@H]1NCc2nc3ccccc3[nH]2 207a_100015195156_100000185668 [0,1,0,0,0,0|2,0,0]=3 832 B20R3.97891 F[C@@H]1CCCC[C@H]1NCc2nc3ccccc3[nH]2 2230a_100015195156_100000737899 [0,1,0,0,0,0|2,0,0]=3 833 B20R3.97891 F[C@@H]1CCCC[C@H]1NCc2nc3ccccc3[nH]2 270004a_100015195156_100000185668 [0,1,0,0,0,0|2,0,0]=3 834 B20R3.97891 F[C@@H]1CCCC[C@H]1NCc2nc3ccccc3o2 2230a_100015195156_100000195508 [0,1,0,0,0,0|1,1,0]=3 835 B20R3.97891 F[C@@H]1CCCC[C@H]1NCc2nc3ccccc3o2 34a_100015195156_200012361514 [0,1,0,0,0,0|1,1,0]=3 836 B20R3.97891 F[C@@H]1CCCC[C@H]1NCc2nc3ccccc3s2 2230a_100015195156_100000766747 [0,1,0,0,0,0|1,0,0]=2 837 B20R3.97891 F[C@@H]1CCCC[C@H]1NCc2nc3ccccc3s2 270004a_100015195156_100011204187 [0,1,0,0,0,0|1,0,0]=2 838 B20R3.97891 F[C@@H]1CCCC[C@H]1NCc2nc3ccccc3s2 34a_100015195156_100011217541 [0,1,0,0,0,0|1,0,0]=2 839 B20R3.97891 F[C@@H]1CCCC[C@H]1NCc2nc3cccnc3[nH]2 2230a_100015195156_100011549802 [0,1,0,0,0,0|3,0,0]=4 840 B20R3.97891 F[C@@H]1CCCC[C@H]1NCc2nc3ncccc3o2 2230a_100015195156_100000696355 [0,1,0,0,0,0|2,1,0]=4 841 B20R3.97891 F[C@@H]1CCCC[C@H]1OCc2nc3ccccc3[nH]2 7a_100009816020_100000737899 [0,1,0,0,0,0|3,0,0]=4 842 B20R3.97891 F[C@@H]1CCCC[C@H]1OCc2nc3ccccc3o2 34a_100009816020_200012361514 [0,1,0,0,0,0|2,1,0]=4 843 B20R3.97891 F[C@@H]1CCCC[C@H]1OCc2nc3ccccc3o2 7a_100009816020_100000195508 [0,1,0,0,0,0|2,1,0]=4 844 B20R3.97891 F[C@@H]1CCCC[C@H]1OCc2nc3ccccc3s2 34a_100009816020_100011217541 [0,1,0,0,0,0|2,0,0]=3 845 B20R3.97891 F[C@@H]1CCCC[C@H]1OCc2nc3ccccc3s2 7a_100009816020_100011217541 [0,1,0,0,0,0|2,0,0]=3 846 B20R3.97891 F[C@H]1CNCC[C@H]1OCc2nc3ccccc3s2 34a_200016994291_100011217541 [0,1,0,0,0,0|3,0,0]=4 847 B20R3.97891 F[C@H]1COCC[C@@H]1NCc2cc3ccccc3s2 207a_100016994078_100000686906 [0,1,0,0,0,0|3,0,0]=4 848 B20R3.97891 F[C@H]1COCC[C@@H]1NCc2cc3ccccc3s2 270004a_100016994078_100000686906 [0,1,0,0,0,0|3,0,0]=4 849 B20R3.97891 F[C@H]1COCC[C@@H]1NCc2nc3ccccc3[nH]2 207a_100016994078_100000185668 [0,1,0,0,0,0|3,0,0]=4 850 B20R3.97891 F[C@H]1COCC[C@@H]1NCc2nc3ccccc3[nH]2 2230a_100016994078_100000737899 [0,1,0,0,0,0|3,0,0]=4 851 B20R3.97891 F[C@H]1COCC[C@@H]1NCc2nc3ccccc3[nH]2 270004a_100016994078_100000185668 [0,1,0,0,0,0|3,0,0]=4 852 B20R3.97891 F[C@H]1COCC[C@@H]1NCc2nc3ccccc3o2 2230a_100016994078_100000195508 [0,1,0,0,0,0|2,1,0]=4 853 B20R3.97891 F[C@H]1COCC[C@@H]1NCc2nc3ccccc3o2 34a_100016994078_200012361514 [0,1,0,0,0,0|2,1,0]=4 854 B20R3.97891 F[C@H]1COCC[C@@H]1NCc2nc3ccccc3s2 2230a_100016994078_100000766747 [0,1,0,0,0,0|2,0,0]=3 855 B20R3.97891 F[C@H]1COCC[C@@H]1NCc2nc3ccccc3s2 270004a_100016994078_100011204187 [0,1,0,0,0,0|2,0,0]=3 856 B20R3.97891 F[C@H]1COCC[C@@H]1NCc2nc3ccccc3s2 34a_100016994078_100011217541 [0,1,0,0,0,0|2,0,0]=3 857 B20R3.97891 N[C@@H]1CCCC[C@@H]1OCc2nc3ccccc3o2 34a_100015191688_200012361514 [0,1,0,0,0,0|2,1,0]=4 858 B20R3.97891 N[C@@H]1CCCC[C@@H]1OCc2nc3ccccc3s2 34a_100015191688_100011217541 [0,1,0,0,0,0|2,0,0]=3 859 B20R3.97891 N[C@@H]1CCOC[C@@H]1OCc2nc3ccccc3s2 34a_100016994285_100011217541 [0,1,0,0,0,0|3,0,0]=4 860 B20R3.97891 N[C@H]1COCC[C@@H]1OCc2nc3ccccc3s2 34a_100015739063_100011217541 [0,1,0,0,0,0|3,0,0]=4 861 B20R3.97891 O=C1CCCCC1OCc2nc3ccccc3s2 34a_100011214950_100011217541 [0,1,0,0,0,0|2,0,1]=4 862 B20R3.97891 O=C1CCCCC1SCc2nc3ccccc3s2 62a_100000204591_100000766747 [0,1,0,0,0,0|2,0,1]=4 863 B20R3.97891 O=C1CCCCC1SCc2nc3ccccc3s2 62a_100011217541_100000204591 [0,1,0,0,0,0|2,0,1]=4 864 B20R3.97891 O=C1NCCCC1NCc2nc3ccccc3s2 2230a_100000747585_100000766747 [0,1,0,0,0,0|2,0,1]=4 865 B20R3.97891 O=C1NCCCC1NCc2nc3ccccc3s2 270004a_100000747585_100011204187 [0,1,0,0,0,0|2,0,1]=4 866 B20R3.97891 O=C1NCCCC1NCc2nc3ccccc3s2 34a_100000747585_100011217541 [0,1,0,0,0,0|2,0,1]=4 867 B20R3.97891 OC1CCCCC1=NNc2nc3ccccc3s2 4a_100000181811_100011214950 [0,1,0,0,0,0|1,0,2]=4 868 B20R3.97891 OC1CCCCC1CNc2nc3ccccc3[nH]2 27a_100011216029_100009814255 [0,1,0,0,0,0|3,0,0]=4 869 B20R3.97891 OC1CCCCC1CNc2nc3ccccc3s2 27a_100011216029_100000751744 [0,1,0,0,0,0|2,0,0]=3 870 B20R3.97891 OC1CCCCC1CNc2nc3cccnc3s2 27a_100011216029_100010188088 [0,1,0,0,0,0|3,0,0]=4 871 B20R3.97891 OC1CCCCC1SCc2nc3ccccc3[nH]2 62a_100000038908_100000737899 [0,1,0,0,0,0|3,0,0]=4 872 B20R3.97891 OC1CCCCC1SCc2nc3ccccc3o2 62a_100000038908_100000195508 [0,1,0,0,0,0|2,1,0]=4 873 B20R3.97891 OC1CCCCC1SCc2nc3ccccc3s2 62a_100000038908_100000766747 [0,1,0,0,0,0|2,0,0]=3 874 B20R3.97891 OC1CCCCC1SCc2nc3ccccc3s2 62a_100011217541_100000038908 [0,1,0,0,0,0|2,0,0]=3 875 B20R3.97891 O[C@H]1CCCC[C@H]1NCc2cc3ccccc3[nH]2 270004a_100015191688_100000051030 [0,1,0,0,0,0|2,0,1]=4 876 B20R3.97891 O[C@H]1CCCC[C@H]1NCc2cc3ccccc3o2 207a_100015191688_100000229944 [0,1,0,0,0,0|2,1,0]=4 877 B20R3.97891 O[C@H]1CCCC[C@H]1NCc2cc3ccccc3o2 270004a_100015191688_100000229944 [0,1,0,0,0,0|2,1,0]=4 878 B20R3.97891 O[C@H]1CCCC[C@H]1NCc2cc3ccccc3s2 207a_100015191688_100000686906 [0,1,0,0,0,0|2,0,0]=3 879 B20R3.97891 O[C@H]1CCCC[C@H]1NCc2cc3ccccc3s2 270004a_100015191688_100000686906 [0,1,0,0,0,0|2,0,0]=3 880 B20R3.97891 O[C@H]1CCCC[C@H]1NCc2cc3cccnc3s2 207a_100015191688_100000050461 [0,1,0,0,0,0|3,0,0]=4 881 B20R3.97891 O[C@H]1CCCC[C@H]1NCc2cc3cccnc3s2 270004a_100015191688_100000050461 [0,1,0,0,0,0|3,0,0]=4 882 B20R3.97891 O[C@H]1CCCC[C@H]1NCc2cc3cnccc3s2 207a_100015191688_100000054438 [0,1,0,0,0,0|3,0,0]=4 883 B20R3.97891 O[C@H]1CCCC[C@H]1NCc2cc3cnccc3s2 270004a_100015191688_100000054438 [0,1,0,0,0,0|3,0,0]=4 884 B20R3.97891 O[C@H]1CCCC[C@H]1NCc2cn3ccccc3n2 207a_100015191688_100000743146 [0,1,0,0,0,0|3,0,0]=4 885 B20R3.97891 O[C@H]1CCCC[C@H]1NCc2nc3ccccc3[nH]2 207a_100015191688_100000185668 [0,1,0,0,0,0|2,0,0]=3 886 B20R3.97891 O[C@H]1CCCC[C@H]1NCc2nc3ccccc3[nH]2 270004a_100015191688_100000185668 [0,1,0,0,0,0|2,0,0]=3 887 B20R3.97891 O[C@H]1CCCC[C@H]1NCc2nc3ccccc3s2 270004a_100015191688_100011204187 [0,1,0,0,0,0|1,0,0]=2 888 B20R3.97891 O[C@H]1CCOC[C@@H]1NCc2cc3ccccc3s2 207a_100015739063_100000686906 [0,1,0,0,0,0|3,0,0]=4 889 B20R3.97891 O[C@H]1CCOC[C@@H]1NCc2cc3ccccc3s2 270004a_100015739063_100000686906 [0,1,0,0,0,0|3,0,0]=4 890 B20R3.97891 O[C@H]1CCOC[C@@H]1NCc2nc3ccccc3[nH]2 207a_100015739063_100000185668 [0,1,0,0,0,0|3,0,0]=4 891 B20R3.97891 O[C@H]1CCOC[C@@H]1NCc2nc3ccccc3[nH]2 2230a_100015739063_100000737899 [0,1,0,0,0,0|3,0,0]=4 892 B20R3.97891 O[C@H]1CCOC[C@@H]1NCc2nc3ccccc3[nH]2 270004a_100015739063_100000185668 [0,1,0,0,0,0|3,0,0]=4 893 B20R3.97891 O[C@H]1CCOC[C@@H]1NCc2nc3ccccc3o2 2230a_100015739063_100000195508 [0,1,0,0,0,0|2,1,0]=4 894 B20R3.97891 O[C@H]1CCOC[C@@H]1NCc2nc3ccccc3s2 2230a_100015739063_100000766747 [0,1,0,0,0,0|2,0,0]=3 895 B20R3.97891 O[C@H]1CCOC[C@@H]1NCc2nc3ccccc3s2 270004a_100015739063_100011204187 [0,1,0,0,0,0|2,0,0]=3 896 B20R3.97891 O[C@H]1COCC[C@H]1NCc2cc3ccccc3s2 207a_100016994285_100000686906 [0,1,0,0,0,0|3,0,0]=4 897 B20R3.97891 O[C@H]1COCC[C@H]1NCc2cc3ccccc3s2 270004a_100016994285_100000686906 [0,1,0,0,0,0|3,0,0]=4 898 B20R3.97891 O[C@H]1COCC[C@H]1NCc2nc3ccccc3[nH]2 207a_100016994285_100000185668 [0,1,0,0,0,0|3,0,0]=4 899 B20R3.97891 O[C@H]1COCC[C@H]1NCc2nc3ccccc3[nH]2 2230a_100016994285_100000737899 [0,1,0,0,0,0|3,0,0]=4 900 B20R3.97891 O[C@H]1COCC[C@H]1NCc2nc3ccccc3[nH]2 270004a_100016994285_100000185668 [0,1,0,0,0,0|3,0,0]=4 901 B20R3.97891 O[C@H]1COCC[C@H]1NCc2nc3ccccc3o2 2230a_100016994285_100000195508 [0,1,0,0,0,0|2,1,0]=4 902 B20R3.97891 O[C@H]1COCC[C@H]1NCc2nc3ccccc3s2 2230a_100016994285_100000766747 [0,1,0,0,0,0|2,0,0]=3 903 B20R3.97891 O[C@H]1COCC[C@H]1NCc2nc3ccccc3s2 270004a_100016994285_100011204187 [0,1,0,0,0,0|2,0,0]=3 904 B20R3.248100 Brc1cccc2c1CC(=NNC3CCCCC3)C2 4a_100000709804_100010205903 [0,1,0,0,0,0|3,0,0]=4 905 B20R3.248100 Brc1cccc2c1cc([nH]2)CNC3CCCCC3 270004a_100000182618_200010333833 [0,1,0,0,0,0|2,0,1]=4 906 B20R3.248100 Brc1cccc2c1cc(s2)CNC3CCCOC3 207a_100000719290_100010109917 [0,1,0,0,0,0|3,0,0]=4 907 B20R3.248100 Brc1cccc2c1cc(s2)CNC3CCCOC3 270004a_100000719290_100010109917 [0,1,0,0,0,0|3,0,0]=4 908 B20R3.248100 Brc1cccc2c1cc(s2)CNC3CCOCC3 207a_100000741149_100010109917 [0,1,0,0,0,0|3,0,0]=4 909 B20R3.248100 Brc1cccc2c1cc(s2)CNC3CCOCC3 270004a_100000741149_100010109917 [0,1,0,0,0,0|3,0,0]=4 910 B20R3.248100 Brc1cccc2c1cc(s2)CNC3CCSCC3 207a_100000748639_100010109917 [0,1,0,0,0,0|3,0,0]=4 911 B20R3.248100 Brc1cccc2c1cc(s2)CNC3CCSCC3 270004a_100000748639_100010109917 [0,1,0,0,0,0|3,0,0]=4 912 B20R3.248100 Brc1cccc2c1nc(s2)NN=C3CCCCC3 4a_100009820880_100000210434 [0,1,0,0,0,0|1,0,2]=4 913 B20R3.248100 Brc1cccc2c1sc(c2)CNC3CCCOC3 207a_100000719290_100010110135 [0,1,0,0,0,0|3,0,0]=4 914 B20R3.248100 Brc1cccc2c1sc(c2)CNC3CCCOC3 270004a_100000719290_100010110135 [0,1,0,0,0,0|3,0,0]=4 915 B20R3.248100 Brc1cccc2c1sc(c2)CNC3CCOCC3 207a_100000741149_100010110135 [0,1,0,0,0,0|3,0,0]=4 916 B20R3.248100 Brc1cccc2c1sc(c2)CNC3CCOCC3 270004a_100000741149_100010110135 [0,1,0,0,0,0|3,0,0]=4 917 B20R3.248100 Brc1cccc2c1sc(c2)CNC3CCSCC3 207a_100000748639_100010110135 [0,1,0,0,0,0|3,0,0]=4 918 B20R3.248100 Brc1cccc2c1sc(c2)CNC3CCSCC3 270004a_100000748639_100010110135 [0,1,0,0,0,0|3,0,0]=4 919 B20R3.248100 Brc1cccc2n1cc(n2)CNC3CCCCC3 2230a_100000182618_200010174612 [0,1,0,0,0,0|3,0,0]=4 920 B20R3.248100 Brc1cccn2c1nc(c2)CNC3CCCCC3 207a_100000182618_100012360382 [0,1,0,0,0,0|3,0,0]=4 921 B20R3.248100 Cc1cccc2c1CC(=NNC3CCCCC3)C2 4a_100000709804_100010637320 [0,1,0,0,0,0|3,0,0]=4 922 B20R3.248100 Cc1cccc2c1nc([nH]2)CNC3CCCCC3 270004a_100015183929_100000210434 [0,1,0,0,0,0|2,0,0]=3 923 B20R3.248100 Cc1cccc2c1nc([nH]2)CNC3CCCOC3 270004a_100015183929_100000753404 [0,1,0,0,0,0|3,0,0]=4 924 B20R3.248100 Cc1cccc2c1nc([nH]2)CNC3CCCSC3 270004a_100015183929_100000057913 [0,1,0,0,0,0|3,0,0]=4 925 B20R3.248100 Cc1cccc2c1nc([nH]2)CNC3CCNCC3 270004a_100015183929_100015192401 [0,1,0,0,0,0|3,0,0]=4 926 B20R3.248100 Cc1cccc2c1nc([nH]2)CNC3CCOCC3 270004a_100015183929_100011217826 [0,1,0,0,0,0|3,0,0]=4 927 B20R3.248100 Cc1cccc2c1nc([nH]2)CNC3CCSCC3 270004a_100015183929_100000203788 [0,1,0,0,0,0|3,0,0]=4 928 B20R3.248100 Cc1cccc2c1nc(o2)CNC3CCCCC3 2230a_100000182618_100011397728 [0,1,0,0,0,0|1,1,0]=3 929 B20R3.248100 Cc1cccc2c1nc(o2)CNC3CCCCC3 34a_100000182618_100011397728 [0,1,0,0,0,0|1,1,0]=3 930 B20R3.248100 Cc1cccc2c1nc(o2)CNC3CCCOC3 2230a_100000719290_100011397728 [0,1,0,0,0,0|2,1,0]=4 931 B20R3.248100 Cc1cccc2c1nc(o2)CNC3CCCOC3 34a_100000719290_100011397728 [0,1,0,0,0,0|2,1,0]=4 932 B20R3.248100 Cc1cccc2c1nc(o2)CNC3CCOCC3 2230a_100000741149_100011397728 [0,1,0,0,0,0|2,1,0]=4 933 B20R3.248100 Cc1cccc2c1nc(o2)CNC3CCOCC3 34a_100000741149_100011397728 [0,1,0,0,0,0|2,1,0]=4 934 B20R3.248100 Cc1cccc2c1nc(o2)CNC3CCSCC3 2230a_100000748639_100011397728 [0,1,0,0,0,0|2,1,0]=4 935 B20R3.248100 Cc1cccc2c1nc(o2)CNC3CCSCC3 34a_100000748639_100011397728 [0,1,0,0,0,0|2,1,0]=4 936 B20R3.248100 Cc1cccc2c1nc(o2)COC3CCCCC3 34a_100000210231_100011397728 [0,1,0,0,0,0|2,1,0]=4 937 B20R3.248100 Cc1cccc2c1nc(o2)COC3CCCCC3 7a_100000210231_100011397728 [0,1,0,0,0,0|2,1,0]=4 938 B20R3.248100 Cc1cccc2c1nc(o2)CSC3CCCCC3 62a_100000210327_100011397728 [0,1,0,0,0,0|2,1,0]=4 939 B20R3.248100 Cc1cccc2c1nc(s2)NCC3CCCCC3 27a_100000210473_100010008827 [0,1,0,0,0,0|2,0,0]=3 940 B20R3.248100 Cc1cccc2c1nc(s2)NCC3CCCCO3 27a_100000174945_100010008827 [0,1,0,0,0,0|3,0,0]=4 941 B20R3.248100 Cc1cccc2c1nc(s2)NCC3CCCOC3 27a_100000720124_100010008827 [0,1,0,0,0,0|3,0,0]=4 942 B20R3.248100 Cc1cccc2c1nc(s2)NCC3CCOCC3 27a_100000746373_100010008827 [0,1,0,0,0,0|3,0,0]=4 943 B20R3.248100 Cc1cccc2c1nc(s2)NCC3CCSCC3 27a_100015188806_100010008827 [0,1,0,0,0,0|3,0,0]=4 944 B20R3.248100 Cc1cccc2c1nc(s2)NN=C3CCCCC3 4a_100000081539_100000210434 [0,1,0,0,0,0|1,0,2]=4 945 B20R3.248100 Cc1cccc2c1nc(s2)SCC3CCCCO3 62a_100000211543_100010008827 [0,1,0,0,0,0|2,0,0]=3 946 B20R3.248100 Cc1cccc2c1nc(s2)SCC3CCCOC3 62a_100000741521_100010008827 [0,1,0,0,0,0|2,0,0]=3 947 B20R3.248100 Cc1cccc2c1nc(s2)SCC3CCOCC3 62a_100000754603_100010008827 [0,1,0,0,0,0|2,0,0]=3 948 B20R3.248100 Cc1cccn2c1nc(c2)CNC3CCCCC3 207a_100000182618_100011997822 [0,1,0,0,0,0|3,0,0]=4 949 B20R3.248100 Cc1cccn2c1nc(c2)CNC3CCCCC3 2230a_100000182618_100000017237 [0,1,0,0,0,0|3,0,0]=4 950 B20R3.248100 Cc1cccn2c1nc(c2)CNC3CCCCC3 34a_100000182618_100000017237 [0,1,0,0,0,0|3,0,0]=4 951 B20R3.248100 Cc1ccnc2c1nc([nH]2)CNC3CCCCC3 2230a_100000182618_200000699823 [0,1,0,0,0,0|3,0,0]=4 952 B20R3.248100 Cc1ccnc2c1nc([nH]2)CNC3CCCCC3 34a_100000182618_200000699823 [0,1,0,0,0,0|3,0,0]=4 953 B20R3.248100 Clc1cccc2c1cc(s2)CNC3CCCCC3 207a_100000182618_100000117544 [0,1,0,0,0,0|2,0,0]=3 954 B20R3.248100 Clc1cccc2c1cc(s2)CNC3CCCCC3 270004a_100000182618_100000117544 [0,1,0,0,0,0|2,0,0]=3 955 B20R3.248100 Clc1cccc2c1cc(s2)CNC3CCCOC3 207a_100000719290_100000117544 [0,1,0,0,0,0|3,0,0]=4 956 B20R3.248100 Clc1cccc2c1cc(s2)CNC3CCCOC3 270004a_100000719290_100000117544 [0,1,0,0,0,0|3,0,0]=4 957 B20R3.248100 Clc1cccc2c1cc(s2)CNC3CCOCC3 207a_100000741149_100000117544 [0,1,0,0,0,0|3,0,0]=4 958 B20R3.248100 Clc1cccc2c1cc(s2)CNC3CCOCC3 270004a_100000741149_100000117544 [0,1,0,0,0,0|3,0,0]=4 959 B20R3.248100 Clc1cccc2c1cc(s2)CNC3CCSCC3 207a_100000748639_100000117544 [0,1,0,0,0,0|3,0,0]=4 960 B20R3.248100 Clc1cccc2c1cc(s2)CNC3CCSCC3 270004a_100000748639_100000117544 [0,1,0,0,0,0|3,0,0]=4 961 B20R3.248100 Clc1cccn2c1nc(c2)CNC3CCCCC3 207a_100000182618_100011361495 [0,1,0,0,0,0|3,0,0]=4 962 B20R3.248100 Clc1cccn2c1nc(c2)CNC3CCCCC3 270004a_100000182618_100011361495 [0,1,0,0,0,0|3,0,0]=4 963 B20R3.248100 Clc1ccnc2c1sc(c2)CNC3CCCCC3 207a_100000182618_100009883415 [0,1,0,0,0,0|3,0,0]=4 964 B20R3.248100 Clc1ccnc2c1sc(c2)CNC3CCCCC3 270004a_100000182618_100009883415 [0,1,0,0,0,0|3,0,0]=4 965 B20R3.248100 Fc1cccc2c1nc([nH]2)CNC3CCCCC3 270004a_100011347252_100000210434 [0,1,0,0,0,0|2,0,0]=3 966 B20R3.248100 Fc1cccc2c1nc([nH]2)CNC3CCCOC3 270004a_100011347252_100000753404 [0,1,0,0,0,0|3,0,0]=4 967 B20R3.248100 Fc1cccc2c1nc([nH]2)CNC3CCCSC3 270004a_100011347252_100000057913 [0,1,0,0,0,0|3,0,0]=4 968 B20R3.248100 Fc1cccc2c1nc([nH]2)CNC3CCNCC3 270004a_100011347252_100015192401 [0,1,0,0,0,0|3,0,0]=4 969 B20R3.248100 Fc1cccc2c1nc([nH]2)CNC3CCOCC3 270004a_100011347252_100011217826 [0,1,0,0,0,0|3,0,0]=4 970 B20R3.248100 Fc1cccc2c1nc([nH]2)CNC3CCSCC3 270004a_100011347252_100000203788 [0,1,0,0,0,0|3,0,0]=4 971 B20R3.248100 Fc1cccc2c1nc(s2)NCC3CCCCC3 27a_100000210473_100010008856 [0,1,0,0,0,0|2,0,0]=3 972 B20R3.248100 Fc1cccc2c1nc(s2)NCC3CCCCO3 27a_100000174945_100010008856 [0,1,0,0,0,0|3,0,0]=4 973 B20R3.248100 Fc1cccc2c1nc(s2)NCC3CCCOC3 27a_100000720124_100010008856 [0,1,0,0,0,0|3,0,0]=4 974 B20R3.248100 Fc1cccc2c1nc(s2)NCC3CCOCC3 27a_100000746373_100010008856 [0,1,0,0,0,0|3,0,0]=4 975 B20R3.248100 Fc1cccc2c1nc(s2)NCC3CCSCC3 27a_100015188806_100010008856 [0,1,0,0,0,0|3,0,0]=4 976 B20R3.248100 Fc1cccc2c1nc(s2)SCC3CCCCO3 62a_100000211543_100010008856 [0,1,0,0,0,0|2,0,0]=3 977 B20R3.248100 Fc1cccc2c1nc(s2)SCC3CCCOC3 62a_100000741521_100010008856 [0,1,0,0,0,0|2,0,0]=3 978 B20R3.248100 Fc1cccc2c1nc(s2)SCC3CCOCC3 62a_100000754603_100010008856 [0,1,0,0,0,0|2,0,0]=3 979 B20R3.331219 CC(NC1C=CCCC1)c2nc3ccccc3s2 2230a_100000213967_100000751183 [0,1,0,0,0,0|1,0,2]=4 980 B20R3.331219 CC(NC1CCCCC1)c2cc3ccccc3[nH]2 269862a_100000182618_100000696822 [0,1,0,0,0,0|2,0,1]=4 981 B20R3.331219 CC(NC1CCCCC1)c2cc3ccccc3o2 269862a_100000182618_100000185295 [0,1,0,0,0,0|2,1,0]=4 982 B20R3.331219 CC(NC1CCCCC1)c2cc3ccccc3s2 269862a_100000182618_100011216072 [0,1,0,0,0,0|2,0,0]=3 983 B20R3.331219 CC(NC1CCCCC1)c2nc3ccccc3[nH]2 270004a_100000182618_100000199114 [0,1,0,0,0,0|2,0,0]=3 984 B20R3.331219 CC(NC1CCCCC1)c2nc3ccccc3s2 270004a_100000213967_100000210434 [0,1,0,0,0,0|1,0,0]=2 985 B20R3.331219 CC(NC1CCCOC1)c2cc3ccccc3s2 269862a_100000719290_100011216072 [0,1,0,0,0,0|3,0,0]=4 986 B20R3.331219 CC(NC1CCCOC1)c2nc3ccccc3[nH]2 270004a_100000719290_100000199114 [0,1,0,0,0,0|3,0,0]=4 987 B20R3.331219 CC(NC1CCCOC1)c2nc3ccccc3s2 270004a_100000213967_100000753404 [0,1,0,0,0,0|2,0,0]=3 988 B20R3.331219 CC(NC1CCCSC1)c2nc3ccccc3s2 270004a_100000213967_100000057913 [0,1,0,0,0,0|2,0,0]=3 989 B20R3.331219 CC(NC1CCNCC1)c2nc3ccccc3s2 270004a_100000213967_100015192401 [0,1,0,0,0,0|2,0,0]=3 990 B20R3.331219 CC(NC1CCOCC1)c2cc3ccccc3s2 269862a_100000741149_100011216072 [0,1,0,0,0,0|3,0,0]=4 991 B20R3.331219 CC(NC1CCOCC1)c2nc3ccccc3[nH]2 270004a_100000741149_100000199114 [0,1,0,0,0,0|3,0,0]=4 992 B20R3.331219 CC(NC1CCOCC1)c2nc3ccccc3s2 270004a_100000213967_100011217826 [0,1,0,0,0,0|2,0,0]=3 993 B20R3.331219 CC(NC1CCSCC1)c2cc3ccccc3s2 269862a_100000748639_100011216072 [0,1,0,0,0,0|3,0,0]=4 994 B20R3.331219 CC(NC1CCSCC1)c2nc3ccccc3[nH]2 270004a_100000748639_100000199114 [0,1,0,0,0,0|3,0,0]=4 995 B20R3.331219 CC(NC1CCSCC1)c2nc3ccccc3s2 270004a_100000213967_100000203788 [0,1,0,0,0,0|2,0,0]=3 996 B20R3.331219 CN(CC1CCCCC1)c2nc3ccccc3[nH]2 27a_100000736448_100009814255 [0,1,0,0,0,0|3,0,0]=4 997 B20R3.331219 CN(CC1CCCCC1)c2nc3ccccc3s2 27a_100000736448_100000751744 [0,1,0,0,0,0|2,0,0]=3 998 B20R3.331219 CN(CC1CCCCC1)c2nc3cccnc3s2 27a_100000736448_100010188088 [0,1,0,0,0,0|3,0,0]=4 999 B20R3.331219 CN(CC1CCCCO1)c2nc3ccccc3s2 27a_100000225654_100000751744 [0,1,0,0,0,0|3,0,0]=4 1000 B20R3.331219 CN(CC1CCOCC1)c2nc3ccccc3s2 27a_100025706683_100000751744 [0,1,0,0,0,0|3,0,0]=4 1001 B20R3.331219 CN(CC1CCSCC1)c2nc3ccccc3s2 27a_100011935259_100000751744 [0,1,0,0,0,0|3,0,0]=4 1002 B20R3.331219 C[C@H](NC1CCCCC1)c2nc3ccccc3[nH]2 270004a_100015206438_100000210434 [0,1,0,0,0,0|2,0,0]=3 1003 B20R3.331219 C[C@H](NC1CCCOC1)c2nc3ccccc3[nH]2 270004a_100015206438_100000753404 [0,1,0,0,0,0|3,0,0]=4 1004 B20R3.331219 C[C@H](NC1CCCSC1)c2nc3ccccc3[nH]2 270004a_100015206438_100000057913 [0,1,0,0,0,0|3,0,0]=4 1005 B20R3.331219 C[C@H](NC1CCNCC1)c2nc3ccccc3[nH]2 270004a_100015206438_100015192401 [0,1,0,0,0,0|3,0,0]=4 1006 B20R3.331219 C[C@H](NC1CCOCC1)c2nc3ccccc3[nH]2 270004a_100015206438_100011217826 [0,1,0,0,0,0|3,0,0]=4 1007 B20R3.331219 C[C@H](NC1CCSCC1)c2nc3ccccc3[nH]2 270004a_100015206438_100000203788 [0,1,0,0,0,0|3,0,0]=4 1008 B20R3.331219 O=C(NC1CCCCC1)C2=Cc3ccccc3C2 11a_100000182618_100009862756 [0,1,0,0,0,0|3,0,0]=4 1009 B20R3.331219 O=C(NC1CCCCC1)C2=Cc3ccccc3C2 1626a_100000182618_100009862756 [0,1,0,0,0,0|3,0,0]=4 1010 B20R3.331219 O=C(NC1CCCCC1)C2=Cc3ccccc3C2 240690a_100000182618_100009862756 [0,1,0,0,0,0|3,0,0]=4 1011 B20R3.331219 O=C(NC1CCCCC1)C2Cc3ccccc3S2 11a_100000182618_100000024912 [0,1,0,0,0,0|2,0,1]=4 1012 B20R3.331219 O=C(NC1CCCCC1)C2Cc3ccccc3S2 1626a_100000182618_100000024912 [0,1,0,0,0,0|2,0,1]=4 1013 B20R3.331219 O=C(NC1CCCCC1)C2Cc3ccccc3S2 240690a_100000182618_100000024912 [0,1,0,0,0,0|2,0,1]=4 1014 B20R3.331219 O=C(NC1CCCCC1)C2Cc3ccccc3S2 527a_100000182618_100000024912 [0,1,0,0,0,0|2,0,1]=4 1015 B20R3.408728 C=C1CCC(CC1)NCc2cc3ccccc3s2 270004a_100015187092_100010272673 [0,1,0,0,0,0|2,0,1]=4 1016 B20R3.408728 C=C1CCC(CC1)NCc2nc3ccccc3[nH]2 270004a_100000729406_100010272673 [0,1,0,0,0,0|2,0,1]=4 1017 B20R3.408728 C=C1CCC(CC1)NCc2nc3ccccc3o2 270004a_100000733820_100010272673 [0,1,0,0,0,0|1,1,1]=4 1018 B20R3.408728 CC1CCC(=NNc2nc3ccccc3s2)CC1 4a_100000181811_100000185489 [0,1,0,0,0,0|1,0,2]=4 1019 B20R3.408728 CC1CCC(CC1)CNc2nc3ccccc3[nH]2 27a_103436935547_100009814255 [0,1,0,0,0,0|3,0,0]=4 1020 B20R3.408728 CC1CCC(CC1)CNc2nc3ccccc3s2 27a_103436935547_100000751744 [0,1,0,0,0,0|2,0,0]=3 1021 B20R3.408728 CC1CCC(CC1)CNc2nc3cccnc3s2 27a_103436935547_100010188088 [0,1,0,0,0,0|3,0,0]=4 1022 B20R3.408728 CC1CCC(CC1)NCc2cc3ccccc3[nH]2 270004a_100015204011_100000185489 [0,1,0,0,0,0|2,0,1]=4 1023 B20R3.408728 CC1CCC(CC1)NCc2cc3ccccc3o2 270004a_100011220112_100000185489 [0,1,0,0,0,0|2,1,0]=4 1024 B20R3.408728 CC1CCC(CC1)NCc2cc3ccccc3s2 270004a_100015187092_100000185489 [0,1,0,0,0,0|2,0,0]=3 1025 B20R3.408728 CC1CCC(CC1)NCc2cn3ccccc3n2 270004a_100000195574_100000185489 [0,1,0,0,0,0|3,0,0]=4 1026 B20R3.408728 CC1CCC(CC1)NCc2nc3ccccc3[nH]2 270004a_100000729406_100000185489 [0,1,0,0,0,0|2,0,0]=3 1027 B20R3.408728 CC1CCC(CC1)NCc2nc3ccccc3o2 270004a_100000733820_100000185489 [0,1,0,0,0,0|1,1,0]=3 1028 B20R3.408728 CC1CCC(CC1)OCc2nc3ccccc3[nH]2 7a_100000210714_100000737899 [0,1,0,0,0,0|3,0,0]=4 1029 B20R3.408728 CC1CCC(CC1)OCc2nc3ccccc3o2 34a_100000210714_200012361514 [0,1,0,0,0,0|2,1,0]=4 1030 B20R3.408728 CC1CCC(CC1)OCc2nc3ccccc3o2 7a_100000210714_100000195508 [0,1,0,0,0,0|2,1,0]=4 1031 B20R3.408728 CC1CCC(CC1)OCc2nc3ccccc3s2 34a_100000210714_100011217541 [0,1,0,0,0,0|2,0,0]=3 1032 B20R3.408728 CC1CCC(CC1)OCc2nc3ccccc3s2 7a_100000210714_100011217541 [0,1,0,0,0,0|2,0,0]=3 1033 B20R3.408728 CN1CCC(CC1)CNc2nc3ccccc3s2 27a_100000746316_100000751744 [0,1,0,0,0,0|3,0,0]=4 1034 B20R3.408728 CN1CCC(CC1)CSc2cc3ccccc3s2 62a_100015183002_100009816949 [0,1,0,0,0,0|3,0,0]=4 1035 B20R3.408728 CN1CCC(CC1)CSc2nc3ccccc3[nH]2 62a_100015183002_100009814255 [0,1,0,0,0,0|3,0,0]=4 1036 B20R3.408728 CN1CCC(CC1)CSc2nc3ccccc3s2 62a_100015183002_100000751744 [0,1,0,0,0,0|2,0,0]=3 1037 B20R3.408728 CN1CCC(CC1)CSc2nc3cccnc3s2 62a_100010188088_100015183002 [0,1,0,0,0,0|3,0,0]=4 1038 B20R3.408728 CN1CCC(CC1)CSc2nc3cccnc3s2 62a_100015183002_100010188088 [0,1,0,0,0,0|3,0,0]=4 1039 B20R3.408728 CN1CCC(CC1)NCc2cc3ccccc3s2 207a_100000198570_100000686906 [0,1,0,0,0,0|3,0,0]=4 1040 B20R3.408728 CN1CCC(CC1)NCc2cc3ccccc3s2 270004a_100000198570_100000686906 [0,1,0,0,0,0|3,0,0]=4 1041 B20R3.408728 CN1CCC(CC1)NCc2cc3ccccc3s2 270004a_100015187092_100000210137 [0,1,0,0,0,0|3,0,0]=4 1042 B20R3.408728 CN1CCC(CC1)NCc2nc3ccccc3[nH]2 207a_100000198570_100000185668 [0,1,0,0,0,0|3,0,0]=4 1043 B20R3.408728 CN1CCC(CC1)NCc2nc3ccccc3[nH]2 270004a_100000198570_100000185668 [0,1,0,0,0,0|3,0,0]=4 1044 B20R3.408728 CN1CCC(CC1)NCc2nc3ccccc3[nH]2 270004a_100000729406_100000210137 [0,1,0,0,0,0|3,0,0]=4 1045 B20R3.408728 CN1CCC(CC1)NCc2nc3ccccc3o2 270004a_100000733820_100000210137 [0,1,0,0,0,0|2,1,0]=4 1046 B20R3.408728 CN1CCC(CC1)NCc2nc3ccccc3s2 270004a_100000198570_100011204187 [0,1,0,0,0,0|2,0,0]=3 1047 B20R3.408728 CN1CCC(CC1)SCc2nc3ccccc3s2 62a_100011217541_100011215917 [0,1,0,0,0,0|3,0,0]=4 1048 B20R3.408728 C[C@H]1CC[C@@H](CC1)NCc2cc3ccccc3[nH]2 270004a_100020625639_100000051030 [0,1,0,0,0,0|2,0,1]=4 1049 B20R3.408728 C[C@H]1CC[C@@H](CC1)NCc2cc3ccccc3o2 207a_100020625639_100000229944 [0,1,0,0,0,0|2,1,0]=4 1050 B20R3.408728 C[C@H]1CC[C@@H](CC1)NCc2cc3ccccc3o2 270004a_100020625639_100000229944 [0,1,0,0,0,0|2,1,0]=4 1051 B20R3.408728 C[C@H]1CC[C@@H](CC1)NCc2cc3ccccc3s2 207a_100020625639_100000686906 [0,1,0,0,0,0|2,0,0]=3 1052 B20R3.408728 C[C@H]1CC[C@@H](CC1)NCc2cc3ccccc3s2 270004a_100020625639_100000686906 [0,1,0,0,0,0|2,0,0]=3 1053 B20R3.408728 C[C@H]1CC[C@@H](CC1)NCc2cc3cccnc3s2 207a_100020625639_100000050461 [0,1,0,0,0,0|3,0,0]=4 1054 B20R3.408728 C[C@H]1CC[C@@H](CC1)NCc2cc3cccnc3s2 270004a_100020625639_100000050461 [0,1,0,0,0,0|3,0,0]=4 1055 B20R3.408728 C[C@H]1CC[C@@H](CC1)NCc2cc3cnccc3s2 207a_100020625639_100000054438 [0,1,0,0,0,0|3,0,0]=4 1056 B20R3.408728 C[C@H]1CC[C@@H](CC1)NCc2cc3cnccc3s2 270004a_100020625639_100000054438 [0,1,0,0,0,0|3,0,0]=4 1057 B20R3.408728 C[C@H]1CC[C@@H](CC1)NCc2cn3ccccc3n2 207a_100020625639_100000743146 [0,1,0,0,0,0|3,0,0]=4 1058 B20R3.408728 C[C@H]1CC[C@@H](CC1)NCc2cn3ccccc3n2 2230a_100020625639_100000689847 [0,1,0,0,0,0|3,0,0]=4 1059 B20R3.408728 C[C@H]1CC[C@@H](CC1)NCc2cn3ccccc3n2 34a_100020625639_100000689847 [0,1,0,0,0,0|3,0,0]=4 1060 B20R3.408728 C[C@H]1CC[C@@H](CC1)NCc2nc3ccccc3[nH]2 207a_100020625639_100000185668 [0,1,0,0,0,0|2,0,0]=3 1061 B20R3.408728 C[C@H]1CC[C@@H](CC1)NCc2nc3ccccc3[nH]2 2230a_100020625639_100000737899 [0,1,0,0,0,0|2,0,0]=3 1062 B20R3.408728 C[C@H]1CC[C@@H](CC1)NCc2nc3ccccc3[nH]2 270004a_100020625639_100000185668 [0,1,0,0,0,0|2,0,0]=3 1063 B20R3.408728 C[C@H]1CC[C@@H](CC1)NCc2nc3ccccc3o2 2230a_100020625639_100000195508 [0,1,0,0,0,0|1,1,0]=3 1064 B20R3.408728 C[C@H]1CC[C@@H](CC1)NCc2nc3ccccc3o2 34a_100020625639_200012361514 [0,1,0,0,0,0|1,1,0]=3 1065 B20R3.408728 C[C@H]1CC[C@@H](CC1)NCc2nc3ccccc3s2 2230a_100020625639_100000766747 [0,1,0,0,0,0|1,0,0]=2 1066 B20R3.408728 C[C@H]1CC[C@@H](CC1)NCc2nc3ccccc3s2 270004a_100020625639_100011204187 [0,1,0,0,0,0|1,0,0]=2 1067 B20R3.408728 C[C@H]1CC[C@@H](CC1)NCc2nc3ccccc3s2 34a_100020625639_100011217541 [0,1,0,0,0,0|1,0,0]=2 1068 B20R3.408728 C[C@H]1CC[C@@H](CC1)NCc2nc3cccnc3[nH]2 2230a_100020625639_100011549802 [0,1,0,0,0,0|3,0,0]=4 1069 B20R3.408728 C[C@H]1CC[C@@H](CC1)NCc2nc3ncccc3o2 2230a_100020625639_100000696355 [0,1,0,0,0,0|2,1,0]=4 1070 B20R3.408728 N[C@H]1CC[C@H](CC1)OCc2nc3ccccc3o2 34a_100020628982_200012361514 [0,1,0,0,0,0|2,1,0]=4 1071 B20R3.408728 N[C@H]1CC[C@H](CC1)OCc2nc3ccccc3s2 34a_100020628982_100011217541 [0,1,0,0,0,0|2,0,0]=3 1072 B20R3.408728 O=C1CCC(CC1)OCc2nc3ccccc3s2 34a_100000764474_100011217541 [0,1,0,0,0,0|2,0,1]=4 1073 B20R3.408728 O=C1CCC(CC1)OCc2nc3ccccc3s2 7a_100000764474_100011217541 [0,1,0,0,0,0|2,0,1]=4 1074 B20R3.408728 O=C1CCC(CN1)NCc2nc3ccccc3s2 2230a_100000748762_100000766747 [0,1,0,0,0,0|2,0,1]=4 1075 B20R3.408728 O=C1CCC(CN1)NCc2nc3ccccc3s2 270004a_100000748762_100011204187 [0,1,0,0,0,0|2,0,1]=4 1076 B20R3.408728 O=C1CCC(CN1)NCc2nc3ccccc3s2 34a_100000748762_100011217541 [0,1,0,0,0,0|2,0,1]=4 1077 B20R3.408728 OC1CCC(=NNc2nc3ccccc3s2)CC1 4a_100000181811_100000764474 [0,1,0,0,0,0|1,0,2]=4 1078 B20R3.408728 OC1CCC(CC1)NCc2cc3ccccc3[nH]2 270004a_100015204011_100000764474 [0,1,0,0,0,0|2,0,1]=4 1079 B20R3.408728 OC1CCC(CC1)NCc2cc3ccccc3o2 270004a_100011220112_100000764474 [0,1,0,0,0,0|2,1,0]=4 1080 B20R3.408728 OC1CCC(CC1)NCc2cc3ccccc3s2 270004a_100015187092_100000764474 [0,1,0,0,0,0|2,0,0]=3 1081 B20R3.408728 OC1CCC(CC1)NCc2cn3ccccc3n2 270004a_100000195574_100000764474 [0,1,0,0,0,0|3,0,0]=4 1082 B20R3.408728 OC1CCC(CC1)NCc2nc3ccccc3[nH]2 270004a_100000729406_100000764474 [0,1,0,0,0,0|2,0,0]=3 1083 B20R3.408728 OC1CCC(CC1)NCc2nc3ccccc3o2 270004a_100000733820_100000764474 [0,1,0,0,0,0|1,1,0]=3 1084 B20R3.408728 O[C@H]1CC[C@H](CC1)NCc2cc3ccccc3[nH]2 270004a_100020628982_100000051030 [0,1,0,0,0,0|2,0,1]=4 1085 B20R3.408728 O[C@H]1CC[C@H](CC1)NCc2cc3ccccc3o2 207a_100020628982_100000229944 [0,1,0,0,0,0|2,1,0]=4 1086 B20R3.408728 O[C@H]1CC[C@H](CC1)NCc2cc3ccccc3o2 270004a_100020628982_100000229944 [0,1,0,0,0,0|2,1,0]=4 1087 B20R3.408728 O[C@H]1CC[C@H](CC1)NCc2cc3ccccc3s2 207a_100020628982_100000686906 [0,1,0,0,0,0|2,0,0]=3 1088 B20R3.408728 O[C@H]1CC[C@H](CC1)NCc2cc3ccccc3s2 270004a_100020628982_100000686906 [0,1,0,0,0,0|2,0,0]=3 1089 B20R3.408728 O[C@H]1CC[C@H](CC1)NCc2cc3cccnc3s2 207a_100020628982_100000050461 [0,1,0,0,0,0|3,0,0]=4 1090 B20R3.408728 O[C@H]1CC[C@H](CC1)NCc2cc3cccnc3s2 270004a_100020628982_100000050461 [0,1,0,0,0,0|3,0,0]=4 1091 B20R3.408728 O[C@H]1CC[C@H](CC1)NCc2cc3cnccc3s2 207a_100020628982_100000054438 [0,1,0,0,0,0|3,0,0]=4 1092 B20R3.408728 O[C@H]1CC[C@H](CC1)NCc2cc3cnccc3s2 270004a_100020628982_100000054438 [0,1,0,0,0,0|3,0,0]=4 1093 B20R3.408728 O[C@H]1CC[C@H](CC1)NCc2cn3ccccc3n2 207a_100020628982_100000743146 [0,1,0,0,0,0|3,0,0]=4 1094 B20R3.408728 O[C@H]1CC[C@H](CC1)NCc2nc3ccccc3[nH]2 207a_100020628982_100000185668 [0,1,0,0,0,0|2,0,0]=3 1095 B20R3.408728 O[C@H]1CC[C@H](CC1)NCc2nc3ccccc3[nH]2 270004a_100020628982_100000185668 [0,1,0,0,0,0|2,0,0]=3 1096 B20R3.408728 O[C@H]1CC[C@H](CC1)NCc2nc3ccccc3s2 270004a_100020628982_100011204187 [0,1,0,0,0,0|1,0,0]=2 1097 B20R3.14686862 CC1(CCCCC1)CNc2nc3ccccc3[nH]2 27a_100000706052_100009814255 [0,1,0,0,0,0|3,0,0]=4 1098 B20R3.14686862 CC1(CCCCC1)CNc2nc3ccccc3s2 27a_100000706052_100000751744 [0,1,0,0,0,0|2,0,0]=3 1099 B20R3.14686862 CC1(CCCCC1)CNc2nc3cccnc3s2 27a_100000706052_100010188088 [0,1,0,0,0,0|3,0,0]=4 1100 B20R3.14686862 CC1(CCCCC1)NCc2cc3ccccc3[nH]2 270004a_100000741114_100000051030 [0,1,0,0,0,0|2,0,1]=4 1101 B20R3.14686862 CC1(CCCCC1)NCc2cc3ccccc3o2 207a_100000741114_100000229944 [0,1,0,0,0,0|2,1,0]=4 1102 B20R3.14686862 CC1(CCCCC1)NCc2cc3ccccc3o2 270004a_100000741114_100000229944 [0,1,0,0,0,0|2,1,0]=4 1103 B20R3.14686862 CC1(CCCCC1)NCc2cc3ccccc3s2 207a_100000741114_100000686906 [0,1,0,0,0,0|2,0,0]=3 1104 B20R3.14686862 CC1(CCCCC1)NCc2cc3ccccc3s2 270004a_100000741114_100000686906 [0,1,0,0,0,0|2,0,0]=3 1105 B20R3.14686862 CC1(CCCCC1)NCc2cc3cccnc3s2 207a_100000741114_100000050461 [0,1,0,0,0,0|3,0,0]=4 1106 B20R3.14686862 CC1(CCCCC1)NCc2cc3cccnc3s2 270004a_100000741114_100000050461 [0,1,0,0,0,0|3,0,0]=4 1107 B20R3.14686862 CC1(CCCCC1)NCc2cc3cnccc3s2 207a_100000741114_100000054438 [0,1,0,0,0,0|3,0,0]=4 1108 B20R3.14686862 CC1(CCCCC1)NCc2cc3cnccc3s2 270004a_100000741114_100000054438 [0,1,0,0,0,0|3,0,0]=4 1109 B20R3.14686862 CC1(CCCCC1)NCc2cn3ccccc3n2 207a_100000741114_100000743146 [0,1,0,0,0,0|3,0,0]=4 1110 B20R3.14686862 CC1(CCCCC1)NCc2cn3ccccc3n2 2230a_100000741114_100000689847 [0,1,0,0,0,0|3,0,0]=4 1111 B20R3.14686862 CC1(CCCCC1)NCc2cn3ccccc3n2 34a_100000741114_100000689847 [0,1,0,0,0,0|3,0,0]=4 1112 B20R3.14686862 CC1(CCCCC1)NCc2nc3ccccc3[nH]2 207a_100000741114_100000185668 [0,1,0,0,0,0|2,0,0]=3 1113 B20R3.14686862 CC1(CCCCC1)NCc2nc3ccccc3[nH]2 2230a_100000741114_100000737899 [0,1,0,0,0,0|2,0,0]=3 1114 B20R3.14686862 CC1(CCCCC1)NCc2nc3ccccc3[nH]2 270004a_100000741114_100000185668 [0,1,0,0,0,0|2,0,0]=3 1115 B20R3.14686862 CC1(CCCCC1)NCc2nc3ccccc3o2 2230a_100000741114_100000195508 [0,1,0,0,0,0|1,1,0]=3 1116 B20R3.14686862 CC1(CCCCC1)NCc2nc3ccccc3o2 34a_100000741114_200012361514 [0,1,0,0,0,0|1,1,0]=3 1117 B20R3.14686862 CC1(CCCCC1)NCc2nc3ccccc3s2 2230a_100000741114_100000766747 [0,1,0,0,0,0|1,0,0]=2 1118 B20R3.14686862 CC1(CCCCC1)NCc2nc3ccccc3s2 270004a_100000741114_100011204187 [0,1,0,0,0,0|1,0,0]=2 1119 B20R3.14686862 CC1(CCCCC1)NCc2nc3ccccc3s2 34a_100000741114_100011217541 [0,1,0,0,0,0|1,0,0]=2 1120 B20R3.14686862 CC1(CCCCC1)NCc2nc3cccnc3[nH]2 2230a_100000741114_100011549802 [0,1,0,0,0,0|3,0,0]=4 1121 B20R3.14686862 CC1(CCCCC1)NCc2nc3ncccc3o2 2230a_100000741114_100000696355 [0,1,0,0,0,0|2,1,0]=4 1122 B20R3.14686862 CC1(CCCCC1)OCc2nc3ccccc3[nH]2 7a_100011215885_100000737899 [0,1,0,0,0,0|3,0,0]=4 1123 B20R3.14686862 CC1(CCCCC1)OCc2nc3ccccc3o2 34a_100011215885_200012361514 [0,1,0,0,0,0|2,1,0]=4 1124 B20R3.14686862 CC1(CCCCC1)OCc2nc3ccccc3o2 7a_100011215885_100000195508 [0,1,0,0,0,0|2,1,0]=4 1125 B20R3.14686862 CC1(CCCCC1)OCc2nc3ccccc3s2 34a_100011215885_100011217541 [0,1,0,0,0,0|2,0,0]=3 1126 B20R3.14686862 CC1(CCCCC1)OCc2nc3ccccc3s2 7a_100011215885_100011217541 [0,1,0,0,0,0|2,0,0]=3 1127 B20R3.14686862 CC1(CCOCC1)CNc2nc3ccccc3s2 27a_100000695556_100000751744 [0,1,0,0,0,0|3,0,0]=4 1128 B20R3.14686862 CC1(CCOCC1)NCc2cc3ccccc3s2 207a_100000692449_100000686906 [0,1,0,0,0,0|3,0,0]=4 1129 B20R3.14686862 CC1(CCOCC1)NCc2cc3ccccc3s2 270004a_100000692449_100000686906 [0,1,0,0,0,0|3,0,0]=4 1130 B20R3.14686862 CC1(CCOCC1)NCc2nc3ccccc3[nH]2 207a_100000692449_100000185668 [0,1,0,0,0,0|3,0,0]=4 1131 B20R3.14686862 CC1(CCOCC1)NCc2nc3ccccc3[nH]2 2230a_100000692449_100000737899 [0,1,0,0,0,0|3,0,0]=4 1132 B20R3.14686862 CC1(CCOCC1)NCc2nc3ccccc3[nH]2 270004a_100000692449_100000185668 [0,1,0,0,0,0|3,0,0]=4 1133 B20R3.14686862 CC1(CCOCC1)NCc2nc3ccccc3o2 2230a_100000692449_100000195508 [0,1,0,0,0,0|2,1,0]=4 1134 B20R3.14686862 CC1(CCOCC1)NCc2nc3ccccc3o2 34a_100000692449_200012361514 [0,1,0,0,0,0|2,1,0]=4 1135 B20R3.14686862 CC1(CCOCC1)NCc2nc3ccccc3s2 2230a_100000692449_100000766747 [0,1,0,0,0,0|2,0,0]=3 1136 B20R3.14686862 CC1(CCOCC1)NCc2nc3ccccc3s2 270004a_100000692449_100011204187 [0,1,0,0,0,0|2,0,0]=3 1137 B20R3.14686862 CC1(CCOCC1)NCc2nc3ccccc3s2 34a_100000692449_100011217541 [0,1,0,0,0,0|2,0,0]=3 1138 B20R3.14686862 CC1(CCOCC1)OCc2nc3ccccc3s2 34a_100011827762_100011217541 [0,1,0,0,0,0|3,0,0]=4 1139 B20R3.14686862 CC1(CCOCC1)OCc2nc3ccccc3s2 7a_100011827762_100011217541 [0,1,0,0,0,0|3,0,0]=4 1140 B20R3.14686862 CC1(CCSCC1)OCc2nc3ccccc3s2 34a_200011004327_100011217541 [0,1,0,0,0,0|3,0,0]=4 1141 B20R3.14686862 CC1(CCSCC1)OCc2nc3ccccc3s2 7a_200011004327_100011217541 [0,1,0,0,0,0|3,0,0]=4 1142 B20R3.14686862 FC1(CCOCC1)CNc2nc3ccccc3s2 27a_100016991512_100000751744 [0,1,0,0,0,0|3,0,0]=4 1143 B20R3.14686862 OC1(CCCCC1)CNc2nc3ccccc3[nH]2 27a_100000748649_100009814255 [0,1,0,0,0,0|3,0,0]=4 1144 B20R3.14686862 OC1(CCCCC1)CNc2nc3ccccc3s2 27a_100000748649_100000751744 [0,1,0,0,0,0|2,0,0]=3 1145 B20R3.14686862 OC1(CCCCC1)CNc2nc3cccnc3s2 27a_100000748649_100010188088 [0,1,0,0,0,0|3,0,0]=4 1146 B20R3.14686862 OC1(CCOCC1)CNc2nc3ccccc3s2 27a_100000704115_100000751744 [0,1,0,0,0,0|3,0,0]=4 1147 B20R3.14686862 OC1(CCSCC1)CNc2nc3ccccc3s2 27a_100000758141_100000751744 [0,1,0,0,0,0|3,0,0]=4 1148 B18R2.1897 CC(CCCCl)OCc1nc2ccccc2s1 34a_200000718107_100011217541 [0,0,1,0,0,0|3,0,0]=4 1149 B18R2.1897 CC(CCCCl)OCc1nc2ccccc2s1 7a_200000718107_100011217541 [0,0,1,0,0,0|3,0,0]=4 1150 B18R2.1897 CCCCC(=NNc1nc2ccccc2s1)C 4a_100000181811_100000210087 [0,0,1,0,0,0|1,0,2]=4 1151 B18R2.1897 CCCCC(=O)CSc1nc2ccccc2s1 1458a_100000179486_100000210211 [0,0,1,0,0,0|2,0,1]=4 1152 B18R2.1897 CCCCC(=O)NCc1nc2ccccc2s1 11a_100000174905_100000210183 [0,0,1,0,0,0|2,0,1]=4 1153 B18R2.1897 CCCCC(=O)NCc1nc2ccccc2s1 1626a_100000174905_100000210183 [0,0,1,0,0,0|2,0,1]=4 1154 B18R2.1897 CCCCC(=O)NCc1nc2ccccc2s1 240690a_100000174905_100000210183 [0,0,1,0,0,0|2,0,1]=4 1155 B18R2.1897 CCCCC(=O)NCc1nc2ccccc2s1 527a_100000174905_100000210183 [0,0,1,0,0,0|2,0,1]=4 1156 B18R2.1897 CCCCC(=O)NNc1nc2ccccc2s1 22a_100000181811_100000210183 [0,0,1,0,0,0|2,0,1]=4 1157 B18R2.1897 CCCCC(C)NCc1cc2ccccc2[nH]1 270004a_100000126638_100000051030 [0,0,1,0,0,0|2,0,1]=4 1158 B18R2.1897 CCCCC(C)NCc1cc2ccccc2[nH]1 270004a_100015204011_100000210087 [0,0,1,0,0,0|2,0,1]=4 1159 B18R2.1897 CCCCC(C)NCc1cc2ccccc2o1 207a_100000126638_100000229944 [0,0,1,0,0,0|2,1,0]=4 1160 B18R2.1897 CCCCC(C)NCc1cc2ccccc2o1 270004a_100000126638_100000229944 [0,0,1,0,0,0|2,1,0]=4 1161 B18R2.1897 CCCCC(C)NCc1cc2ccccc2o1 270004a_100011220112_100000210087 [0,0,1,0,0,0|2,1,0]=4 1162 B18R2.1897 CCCCC(C)NCc1cc2ccccc2s1 207a_100000126638_100000686906 [0,0,1,0,0,0|2,0,0]=3 1163 B18R2.1897 CCCCC(C)NCc1cc2ccccc2s1 2230a_100015187092_200011215066 [0,0,1,0,0,0|2,0,0]=3 1164 B18R2.1897 CCCCC(C)NCc1cc2ccccc2s1 270004a_100000126638_100000686906 [0,0,1,0,0,0|2,0,0]=3 1165 B18R2.1897 CCCCC(C)NCc1cc2ccccc2s1 270004a_100015187092_100000210087 [0,0,1,0,0,0|2,0,0]=3 1166 B18R2.1897 CCCCC(C)NCc1cc2cccnc2s1 207a_100000126638_100000050461 [0,0,1,0,0,0|3,0,0]=4 1167 B18R2.1897 CCCCC(C)NCc1cc2cccnc2s1 270004a_100000126638_100000050461 [0,0,1,0,0,0|3,0,0]=4 1168 B18R2.1897 CCCCC(C)NCc1cc2cnccc2s1 207a_100000126638_100000054438 [0,0,1,0,0,0|3,0,0]=4 1169 B18R2.1897 CCCCC(C)NCc1cc2cnccc2s1 270004a_100000126638_100000054438 [0,0,1,0,0,0|3,0,0]=4 1170 B18R2.1897 CCCCC(C)NCc1cn2ccccc2n1 207a_100000126638_100000743146 [0,0,1,0,0,0|3,0,0]=4 1171 B18R2.1897 CCCCC(C)NCc1cn2ccccc2n1 2230a_100000126638_100000689847 [0,0,1,0,0,0|3,0,0]=4 1172 B18R2.1897 CCCCC(C)NCc1cn2ccccc2n1 270004a_100000195574_100000210087 [0,0,1,0,0,0|3,0,0]=4 1173 B18R2.1897 CCCCC(C)NCc1nc2ccccc2[nH]1 207a_100000126638_100000185668 [0,0,1,0,0,0|2,0,0]=3 1174 B18R2.1897 CCCCC(C)NCc1nc2ccccc2[nH]1 2230a_100000126638_100000737899 [0,0,1,0,0,0|2,0,0]=3 1175 B18R2.1897 CCCCC(C)NCc1nc2ccccc2[nH]1 270004a_100000126638_100000185668 [0,0,1,0,0,0|2,0,0]=3 1176 B18R2.1897 CCCCC(C)NCc1nc2ccccc2[nH]1 270004a_100000729406_100000210087 [0,0,1,0,0,0|2,0,0]=3 1177 B18R2.1897 CCCCC(C)NCc1nc2ccccc2o1 2230a_100000126638_100000195508 [0,0,1,0,0,0|1,1,0]=3 1178 B18R2.1897 CCCCC(C)NCc1nc2ccccc2o1 270004a_100000733820_100000210087 [0,0,1,0,0,0|1,1,0]=3 1179 B18R2.1897 CCCCC(C)NCc1nc2ccccc2s1 2230a_100000126638_100000766747 [0,0,1,0,0,0|1,0,0]=2 1180 B18R2.1897 CCCCC(C)NCc1nc2ccccc2s1 270004a_100000126638_100011204187 [0,0,1,0,0,0|1,0,0]=2 1181 B18R2.1897 CCCCC(C)NCc1nc2cccnc2[nH]1 2230a_100000126638_100011549802 [0,0,1,0,0,0|3,0,0]=4 1182 B18R2.1897 CCCCC(C)NCc1nc2ncccc2o1 2230a_100000126638_100000696355 [0,0,1,0,0,0|2,1,0]=4 1183 B18R2.1897 CCCCC(C)OCc1nc2ccccc2[nH]1 7a_100000687866_100000737899 [0,0,1,0,0,0|3,0,0]=4 1184 B18R2.1897 CCCCC(C)OCc1nc2ccccc2o1 34a_100000687866_200012361514 [0,0,1,0,0,0|2,1,0]=4 1185 B18R2.1897 CCCCC(C)OCc1nc2ccccc2o1 7a_100000687866_100000195508 [0,0,1,0,0,0|2,1,0]=4 1186 B18R2.1897 CCCCC(C)OCc1nc2ccccc2s1 34a_100000687866_100011217541 [0,0,1,0,0,0|2,0,0]=3 1187 B18R2.1897 CCCCC(C)OCc1nc2ccccc2s1 7a_100000687866_100011217541 [0,0,1,0,0,0|2,0,0]=3 1188 B18R2.1897 CCCCC(C)SCc1nc2ccccc2[nH]1 62a_200011215066_100000737899 [0,0,1,0,0,0|3,0,0]=4 1189 B18R2.1897 CCCCC(C)SCc1nc2ccccc2o1 62a_200011215066_100000195508 [0,0,1,0,0,0|2,1,0]=4 1190 B18R2.1897 CCCOC(C)CNc1nc2ccccc2s1 27a_100015185124_100000751744 [0,0,1,0,0,0|3,0,0]=4 1191 B18R2.1897 CCOCC(C)OCc1nc2ccccc2s1 34a_100000718985_100011217541 [0,0,1,0,0,0|3,0,0]=4 1192 B18R2.1897 CCOCC(C)OCc1nc2ccccc2s1 7a_100000718985_100011217541 [0,0,1,0,0,0|3,0,0]=4 1193 B18R2.1897 CCSCC(C)NCc1cc2ccccc2s1 270004a_100015187092_200011216171 [0,0,1,0,0,0|3,0,0]=4 1194 B18R2.1897 CCSCC(C)NCc1nc2ccccc2[nH]1 270004a_100000729406_200011216171 [0,0,1,0,0,0|3,0,0]=4 1195 B18R2.1897 CCSCC(C)NCc1nc2ccccc2o1 270004a_100000733820_200011216171 [0,0,1,0,0,0|2,1,0]=4 1196 B18R2.1897 COCCC(C)NCc1cc2ccccc2s1 270004a_100015187092_100000742357 [0,0,1,0,0,0|3,0,0]=4 1197 B18R2.1897 COCCC(C)NCc1nc2ccccc2[nH]1 270004a_100000729406_100000742357 [0,0,1,0,0,0|3,0,0]=4 1198 B18R2.1897 COCCC(C)NCc1nc2ccccc2o1 270004a_100000733820_100000742357 [0,0,1,0,0,0|2,1,0]=4 1199 B18R2.1897 CSCCC(C)NCc1cc2ccccc2s1 270004a_100015187092_100011217047 [0,0,1,0,0,0|3,0,0]=4 1200 B18R2.1897 CSCCC(C)NCc1nc2ccccc2[nH]1 270004a_100000729406_100011217047 [0,0,1,0,0,0|3,0,0]=4 1201 B18R2.1897 CSCCC(C)NCc1nc2ccccc2o1 270004a_100000733820_100011217047 [0,0,1,0,0,0|2,1,0]=4 1202 B18R2.1897 C[C@H](CCCO)CNc1nc2ccccc2s1 27a_100160569302_100000751744 [0,0,1,0,0,0|3,0,0]=4 1203 B18R2.2429 O=C(CNC1CCCCC1)Cc2ccccc2 2230a_100000182618_100000233483 [0,0,1,0,0,0|2,1,0]=4 1204 B18R2.2429 O=C(CNC1CCCCC1)Nc2ccccc2 2230a_100000182618_100000182850 [0,0,1,0,0,0|1,1,1]=4 1205 B18R2.2429 O=C(CNC1CCCCC1)Nc2ccccc2 270004a_100000742222_100000210434 [0,0,1,0,0,0|1,1,1]=4 1206 B18R2.2429 O=C(CNC1CCCCC1)Nc2ccccc2 34a_100000182618_100000182850 [0,0,1,0,0,0|1,1,1]=4 1207 B18R2.2429 O=C(CNC1CCCCC1)Oc2ccccc2 2230a_100000182618_100009813826 [0,0,1,0,0,0|2,1,0]=4 1208 B18R2.2429 O=C(CNC1CCCCC1)Oc2ccccc2 34a_100000182618_100009813826 [0,0,1,0,0,0|2,1,0]=4 1209 B18R2.3984 Brc1ccccc1C=CCNC2CCCCC2 270004a_100000182618_200016268969 [0,0,1,0,0,0|3,0,0]=4 1210 B18R2.3984 Clc1ccccc1C=CCNC2CCCCC2 270004a_100000182618_200102525841 [0,0,1,0,0,0|3,0,0]=4 1211 B18R2.3984 Clc1ccccc1CC=NNC2CCCCC2 4a_100000709804_200011713468 [0,0,1,0,0,0|3,0,0]=4 1212 B18R2.3984 Fc1ccccc1C=CCNC2CCCCC2 270004a_100000182618_200102525844 [0,0,1,0,0,0|3,0,0]=4 1213 B18R2.3984 Fc1ccccc1CC=NNC2CCCCC2 4a_100000709804_200000687578 [0,0,1,0,0,0|3,0,0]=4 1214 B18R2.4165 CCC(COC)NCc1cc2ccccc2s1 207a_100000757820_100000686906 [0,0,1,0,0,0|3,0,0]=4 1215 B18R2.4165 CCC(COC)NCc1cc2ccccc2s1 270004a_100000757820_100000686906 [0,0,1,0,0,0|3,0,0]=4 1216 B18R2.4165 CCC(COC)NCc1cc2ccccc2s1 270004a_100015187092_100000757811 [0,0,1,0,0,0|3,0,0]=4 1217 B18R2.4165 CCC(COC)NCc1nc2ccccc2[nH]1 207a_100000757820_100000185668 [0,0,1,0,0,0|3,0,0]=4 1218 B18R2.4165 CCC(COC)NCc1nc2ccccc2[nH]1 2230a_100000757820_100000737899 [0,0,1,0,0,0|3,0,0]=4 1219 B18R2.4165 CCC(COC)NCc1nc2ccccc2[nH]1 270004a_100000729406_100000757811 [0,0,1,0,0,0|3,0,0]=4 1220 B18R2.4165 CCC(COC)NCc1nc2ccccc2[nH]1 270004a_100000757820_100000185668 [0,0,1,0,0,0|3,0,0]=4 1221 B18R2.4165 CCC(COC)NCc1nc2ccccc2o1 2230a_100000757820_100000195508 [0,0,1,0,0,0|2,1,0]=4 1222 B18R2.4165 CCC(COC)NCc1nc2ccccc2o1 270004a_100000733820_100000757811 [0,0,1,0,0,0|2,1,0]=4 1223 B18R2.4165 CCC(COC)NCc1nc2ccccc2s1 2230a_100000757820_100000766747 [0,0,1,0,0,0|2,0,0]=3 1224 B18R2.4165 CCC(COC)NCc1nc2ccccc2s1 270004a_100000757820_100011204187 [0,0,1,0,0,0|2,0,0]=3 1225 B18R2.4165 CCC(COC)OCc1nc2ccccc2s1 7a_200011214946_100011217541 [0,0,1,0,0,0|3,0,0]=4 1226 B18R2.4165 CCCC(=NNc1nc2ccccc2s1)CC 4a_100000181811_100000687865 [0,0,1,0,0,0|1,0,2]=4 1227 B18R2.4165 CCCC(CC)NCc1cc2ccccc2[nH]1 270004a_100000747048_100000051030 [0,0,1,0,0,0|2,0,1]=4 1228 B18R2.4165 CCCC(CC)NCc1cc2ccccc2[nH]1 270004a_100015204011_100000687865 [0,0,1,0,0,0|2,0,1]=4 1229 B18R2.4165 CCCC(CC)NCc1cc2ccccc2o1 207a_100000747048_100000229944 [0,0,1,0,0,0|2,1,0]=4 1230 B18R2.4165 CCCC(CC)NCc1cc2ccccc2o1 270004a_100000747048_100000229944 [0,0,1,0,0,0|2,1,0]=4 1231 B18R2.4165 CCCC(CC)NCc1cc2ccccc2o1 270004a_100011220112_100000687865 [0,0,1,0,0,0|2,1,0]=4 1232 B18R2.4165 CCCC(CC)NCc1cc2ccccc2s1 207a_100000747048_100000686906 [0,0,1,0,0,0|2,0,0]=3 1233 B18R2.4165 CCCC(CC)NCc1cc2ccccc2s1 270004a_100000747048_100000686906 [0,0,1,0,0,0|2,0,0]=3 1234 B18R2.4165 CCCC(CC)NCc1cc2ccccc2s1 270004a_100015187092_100000687865 [0,0,1,0,0,0|2,0,0]=3 1235 B18R2.4165 CCCC(CC)NCc1cc2cccnc2s1 207a_100000747048_100000050461 [0,0,1,0,0,0|3,0,0]=4 1236 B18R2.4165 CCCC(CC)NCc1cc2cccnc2s1 270004a_100000747048_100000050461 [0,0,1,0,0,0|3,0,0]=4 1237 B18R2.4165 CCCC(CC)NCc1cc2cnccc2s1 207a_100000747048_100000054438 [0,0,1,0,0,0|3,0,0]=4 1238 B18R2.4165 CCCC(CC)NCc1cc2cnccc2s1 270004a_100000747048_100000054438 [0,0,1,0,0,0|3,0,0]=4 1239 B18R2.4165 CCCC(CC)NCc1cn2ccccc2n1 207a_100000747048_100000743146 [0,0,1,0,0,0|3,0,0]=4 1240 B18R2.4165 CCCC(CC)NCc1cn2ccccc2n1 2230a_100000747048_100000689847 [0,0,1,0,0,0|3,0,0]=4 1241 B18R2.4165 CCCC(CC)NCc1cn2ccccc2n1 270004a_100000195574_100000687865 [0,0,1,0,0,0|3,0,0]=4 1242 B18R2.4165 CCCC(CC)NCc1nc2ccccc2[nH]1 207a_100000747048_100000185668 [0,0,1,0,0,0|2,0,0]=3 1243 B18R2.4165 CCCC(CC)NCc1nc2ccccc2[nH]1 2230a_100000747048_100000737899 [0,0,1,0,0,0|2,0,0]=3 1244 B18R2.4165 CCCC(CC)NCc1nc2ccccc2[nH]1 270004a_100000729406_100000687865 [0,0,1,0,0,0|2,0,0]=3 1245 B18R2.4165 CCCC(CC)NCc1nc2ccccc2[nH]1 270004a_100000747048_100000185668 [0,0,1,0,0,0|2,0,0]=3 1246 B18R2.4165 CCCC(CC)NCc1nc2ccccc2o1 2230a_100000747048_100000195508 [0,0,1,0,0,0|1,1,0]=3 1247 B18R2.4165 CCCC(CC)NCc1nc2ccccc2o1 270004a_100000733820_100000687865 [0,0,1,0,0,0|1,1,0]=3 1248 B18R2.4165 CCCC(CC)NCc1nc2ccccc2s1 2230a_100000747048_100000766747 [0,0,1,0,0,0|1,0,0]=2 1249 B18R2.4165 CCCC(CC)NCc1nc2ccccc2s1 270004a_100000747048_100011204187 [0,0,1,0,0,0|1,0,0]=2 1250 B18R2.4165 CCCC(CC)NCc1nc2cccnc2[nH]1 2230a_100000747048_100011549802 [0,0,1,0,0,0|3,0,0]=4 1251 B18R2.4165 CCCC(CC)NCc1nc2ncccc2o1 2230a_100000747048_100000696355 [0,0,1,0,0,0|2,1,0]=4 1252 B18R2.4165 CCCC(CC)OCc1nc2ccccc2[nH]1 7a_100000687864_100000737899 [0,0,1,0,0,0|3,0,0]=4 1253 B18R2.4165 CCCC(CC)OCc1nc2ccccc2o1 34a_100000687864_200012361514 [0,0,1,0,0,0|2,1,0]=4 1254 B18R2.4165 CCCC(CC)OCc1nc2ccccc2o1 7a_100000687864_100000195508 [0,0,1,0,0,0|2,1,0]=4 1255 B18R2.4165 CCCC(CC)OCc1nc2ccccc2s1 34a_100000687864_100011217541 [0,0,1,0,0,0|2,0,0]=3 1256 B18R2.4165 CCCC(CC)OCc1nc2ccccc2s1 7a_100000687864_100011217541 [0,0,1,0,0,0|2,0,0]=3 1257 B18R2.4165 CCCC(CC)SCc1nc2ccccc2[nH]1 62a_100011219200_100000737899 [0,0,1,0,0,0|3,0,0]=4 1258 B18R2.4165 CCCC(CC)SCc1nc2ccccc2o1 62a_100011219200_100000195508 [0,0,1,0,0,0|2,1,0]=4 1259 B18R2.4165 CCC[C@@H](CO)NCc1cc2ccccc2s1 207a_100000732646_100000686906 [0,0,1,0,0,0|3,0,0]=4 1260 B18R2.4165 CCC[C@@H](CO)NCc1nc2ccccc2[nH]1 207a_100000732646_100000185668 [0,0,1,0,0,0|3,0,0]=4 1261 B18R2.4165 CCC[C@@H](CO)NCc1nc2ccccc2[nH]1 2230a_100000732646_100000737899 [0,0,1,0,0,0|3,0,0]=4 1262 B18R2.4165 CCC[C@@H](CO)NCc1nc2ccccc2o1 2230a_100000732646_100000195508 [0,0,1,0,0,0|2,1,0]=4 1263 B18R2.4165 CCC[C@@H](CO)NCc1nc2ccccc2o1 34a_100000732646_200012361514 [0,0,1,0,0,0|2,1,0]=4 1264 B18R2.4165 CCC[C@@H](CO)NCc1nc2ccccc2s1 2230a_100000732646_100000766747 [0,0,1,0,0,0|2,0,0]=3 1265 B18R2.4165 CCC[C@@H](CO)NCc1nc2ccccc2s1 34a_100000732646_100011217541 [0,0,1,0,0,0|2,0,0]=3 1266 B18R2.4165 CCOC(CC)CNc1nc2ccccc2s1 27a_100015183923_100000751744 [0,0,1,0,0,0|3,0,0]=4 1267 B18R2.4165 CC[C@H](CC#N)NCc1nc2ccccc2s1 2230a_200009818565_100000766747 [0,0,1,0,0,0|2,0,1]=4 1268 B18R2.4165 CC[C@H](CC#N)NCc1nc2ccccc2s1 270004a_200009818565_100011204187 [0,0,1,0,0,0|2,0,1]=4 1269 B18R2.4165 COCC(CO)NCc1nc2ccccc2s1 2230a_100000724102_100000766747 [0,0,1,0,0,0|3,0,0]=4 1270 B18R2.4165 COCC(CO)NCc1nc2ccccc2s1 270004a_100000724102_100011204187 [0,0,1,0,0,0|3,0,0]=4 1271 B18R2.4165 COCC(CO)NCc1nc2ccccc2s1 34a_100000724102_100011217541 [0,0,1,0,0,0|3,0,0]=4 1272 B18R2.7339 BrCCCCCOCc1nc2ccccc2s1 34a_100000746331_100011217541 [0,0,1,0,0,0|3,0,0]=4 1273 B18R2.7339 BrCCCCCOCc1nc2ccccc2s1 7a_100000746331_100011217541 [0,0,1,0,0,0|3,0,0]=4 1274 B18R2.7339 C#CCCCCCSc1nc2ccccc2s1 62a_100012094781_100000751744 [0,0,1,0,0,0|1,0,2]=4 1275 B18R2.7339 C#CCCCCNCc1nc2ccccc2s1 2230a_100000706060_100000766747 [0,0,1,0,0,0|1,0,2]=4 1276 B18R2.7339 C#CCCCCNCc1nc2ccccc2s1 34a_100000706060_100011217541 [0,0,1,0,0,0|1,0,2]=4 1277 B18R2.7339 C=CCCCCNCc1nc2ccccc2s1 2230a_100000703577_100000766747 [0,0,1,0,0,0|1,0,2]=4 1278 B18R2.7339 C=CCCCCNCc1nc2ccccc2s1 270004a_100000703577_100011204187 [0,0,1,0,0,0|1,0,2]=4 1279 B18R2.7339 C=CCCCCNCc1nc2ccccc2s1 34a_100000703577_100011217541 [0,0,1,0,0,0|1,0,2]=4 1280 B18R2.7339 CCCCCC=NNc1nc2ccccc2s1 4a_100000181811_100000737632 [0,0,1,0,0,0|1,0,2]=4 1281 B18R2.7339 CCCCCCC=Cc1nc2ccccc2[nH]1 271570a_200015348155_100009814255 [0,0,1,0,0,0|3,0,0]=4 1282 B18R2.7339 CCCCCCC=Cc1nc2cccnc2s1 271570a_200015348155_100010188088 [0,0,1,0,0,0|3,0,0]=4 1283 B18R2.7339 CCCCCCCNc1nc2ccccc2[nH]1 27a_100000229938_100009814255 [0,0,1,0,0,0|3,0,0]=4 1284 B18R2.7339 CCCCCCCNc1nc2ccccc2s1 27a_100000229938_100000751744 [0,0,1,0,0,0|2,0,0]=3 1285 B18R2.7339 CCCCCCCNc1nc2cccnc2s1 27a_100000229938_100010188088 [0,0,1,0,0,0|3,0,0]=4 1286 B18R2.7339 CCCCCCCSc1cn2ccccc2n1 62a_100000210614_100009819586 [0,0,1,0,0,0|3,0,0]=4 1287 B18R2.7339 CCCCCCCSc1nc2ccccc2[nH]1 62a_100000210614_100009814255 [0,0,1,0,0,0|2,0,0]=3 1288 B18R2.7339 CCCCCCCSc1nc2cccnc2s1 62a_100000210614_100010188088 [0,0,1,0,0,0|2,0,0]=3 1289 B18R2.7339 CCCCCCCSc1nc2cccnc2s1 62a_100010188088_100000210316 [0,0,1,0,0,0|2,0,0]=3 1290 B18R2.7339 CCCCCCNCc1cc2ccccc2[nH]1 270004a_100000210581_100000051030 [0,0,1,0,0,0|2,0,1]=4 1291 B18R2.7339 CCCCCCNCc1cc2ccccc2o1 207a_100000210581_100000229944 [0,0,1,0,0,0|2,1,0]=4 1292 B18R2.7339 CCCCCCNCc1cc2ccccc2o1 270004a_100000210581_100000229944 [0,0,1,0,0,0|2,1,0]=4 1293 B18R2.7339 CCCCCCNCc1cc2ccccc2s1 207a_100000210581_100000686906 [0,0,1,0,0,0|2,0,0]=3 1294 B18R2.7339 CCCCCCNCc1cc2ccccc2s1 2230a_100015187092_100000210314 [0,0,1,0,0,0|2,0,0]=3 1295 B18R2.7339 CCCCCCNCc1cc2ccccc2s1 270004a_100000210581_100000686906 [0,0,1,0,0,0|2,0,0]=3 1296 B18R2.7339 CCCCCCNCc1cc2cccnc2s1 207a_100000210581_100000050461 [0,0,1,0,0,0|3,0,0]=4 1297 B18R2.7339 CCCCCCNCc1cc2cccnc2s1 270004a_100000210581_100000050461 [0,0,1,0,0,0|3,0,0]=4 1298 B18R2.7339 CCCCCCNCc1cc2cnccc2s1 207a_100000210581_100000054438 [0,0,1,0,0,0|3,0,0]=4 1299 B18R2.7339 CCCCCCNCc1cc2cnccc2s1 270004a_100000210581_100000054438 [0,0,1,0,0,0|3,0,0]=4 1300 B18R2.7339 CCCCCCNCc1cn2ccccc2n1 207a_100000210581_100000743146 [0,0,1,0,0,0|3,0,0]=4 1301 B18R2.7339 CCCCCCNCc1cn2ccccc2n1 2230a_100000210581_100000689847 [0,0,1,0,0,0|3,0,0]=4 1302 B18R2.7339 CCCCCCNCc1nc2ccccc2[nH]1 207a_100000210581_100000185668 [0,0,1,0,0,0|2,0,0]=3 1303 B18R2.7339 CCCCCCNCc1nc2ccccc2[nH]1 2230a_100000210581_100000737899 [0,0,1,0,0,0|2,0,0]=3 1304 B18R2.7339 CCCCCCNCc1nc2ccccc2[nH]1 270004a_100000210581_100000185668 [0,0,1,0,0,0|2,0,0]=3 1305 B18R2.7339 CCCCCCNCc1nc2ccccc2o1 2230a_100000210581_100000195508 [0,0,1,0,0,0|1,1,0]=3 1306 B18R2.7339 CCCCCCNCc1nc2ccccc2s1 2230a_100000210581_100000766747 [0,0,1,0,0,0|1,0,0]=2 1307 B18R2.7339 CCCCCCNCc1nc2ccccc2s1 270004a_100000210581_100011204187 [0,0,1,0,0,0|1,0,0]=2 1308 B18R2.7339 CCCCCCNCc1nc2cccnc2[nH]1 2230a_100000210581_100011549802 [0,0,1,0,0,0|3,0,0]=4 1309 B18R2.7339 CCCCCCNCc1nc2ncccc2o1 2230a_100000210581_100000696355 [0,0,1,0,0,0|2,1,0]=4 1310 B18R2.7339 CCCCCCOCc1nc2ccccc2[nH]1 7a_100000210259_100000737899 [0,0,1,0,0,0|3,0,0]=4 1311 B18R2.7339 CCCCCCOCc1nc2ccccc2o1 34a_100000210259_200012361514 [0,0,1,0,0,0|2,1,0]=4 1312 B18R2.7339 CCCCCCOCc1nc2ccccc2o1 7a_100000210259_100000195508 [0,0,1,0,0,0|2,1,0]=4 1313 B18R2.7339 CCCCCCOCc1nc2ccccc2s1 34a_100000210259_100011217541 [0,0,1,0,0,0|2,0,0]=3 1314 B18R2.7339 CCCCCCOCc1nc2ccccc2s1 7a_100000210259_100011217541 [0,0,1,0,0,0|2,0,0]=3 1315 B18R2.7339 CCCCCCSCc1nc2ccccc2[nH]1 62a_100000210314_100000737899 [0,0,1,0,0,0|3,0,0]=4 1316 B18R2.7339 CCCCCCSCc1nc2ccccc2o1 62a_100000210314_100000195508 [0,0,1,0,0,0|2,1,0]=4 1317 B18R2.7339 CCCCCNN=Cc1nc2ccccc2s1 4a_100000694160_100011204187 [0,0,1,0,0,0|2,0,1]=4 1318 B18R2.7339 CCCCOCCSc1cc2ccccc2s1 62a_100000743108_100009816949 [0,0,1,0,0,0|3,0,0]=4 1319 B18R2.7339 CCCCOCCSc1nc2ccccc2[nH]1 62a_100000743108_100009814255 [0,0,1,0,0,0|3,0,0]=4 1320 B18R2.7339 CCCCOCCSc1nc2ccccc2s1 62a_100000743108_100000751744 [0,0,1,0,0,0|2,0,0]=3 1321 B18R2.7339 CCCCOCCSc1nc2cccnc2s1 62a_100000743108_100010188088 [0,0,1,0,0,0|3,0,0]=4 1322 B18R2.7339 CCCCOCCSc1nc2cccnc2s1 62a_100010188088_100000743108 [0,0,1,0,0,0|3,0,0]=4 1323 B18R2.7339 CCCCOCNCc1cc2ccccc2s1 2230a_100015187092_100011995733 [0,0,1,0,0,0|3,0,0]=4 1324 B18R2.7339 CCCCOCSCc1nc2ccccc2s1 62a_100011217541_100011995733 [0,0,1,0,0,0|3,0,0]=4 1325 B18R2.7339 CCCCOCSCc1nc2ccccc2s1 62a_100011995733_100000766747 [0,0,1,0,0,0|3,0,0]=4 1326 B18R2.7339 CCCCSCCNc1nc2ccccc2s1 27a_100025743550_100000751744 [0,0,1,0,0,0|3,0,0]=4 1327 B18R2.7339 CCCOCCCNc1nc2ccccc2s1 27a_100011217757_100000751744 [0,0,1,0,0,0|3,0,0]=4 1328 B18R2.7339 CCCOCCNCc1cc2ccccc2s1 207a_100161115042_100000686906 [0,0,1,0,0,0|3,0,0]=4 1329 B18R2.7339 CCCOCCNCc1cc2ccccc2s1 2230a_100015187092_100011215938 [0,0,1,0,0,0|3,0,0]=4 1330 B18R2.7339 CCCOCCNCc1cc2ccccc2s1 270004a_100161115042_100000686906 [0,0,1,0,0,0|3,0,0]=4 1331 B18R2.7339 CCCOCCNCc1nc2ccccc2[nH]1 207a_100161115042_100000185668 [0,0,1,0,0,0|3,0,0]=4 1332 B18R2.7339 CCCOCCNCc1nc2ccccc2[nH]1 2230a_100161115042_100000737899 [0,0,1,0,0,0|3,0,0]=4 1333 B18R2.7339 CCCOCCNCc1nc2ccccc2[nH]1 270004a_100161115042_100000185668 [0,0,1,0,0,0|3,0,0]=4 1334 B18R2.7339 CCCOCCNCc1nc2ccccc2o1 2230a_100161115042_100000195508 [0,0,1,0,0,0|2,1,0]=4 1335 B18R2.7339 CCCOCCNCc1nc2ccccc2o1 34a_100161115042_200012361514 [0,0,1,0,0,0|2,1,0]=4 1336 B18R2.7339 CCCOCCNCc1nc2ccccc2s1 2230a_100161115042_100000766747 [0,0,1,0,0,0|2,0,0]=3 1337 B18R2.7339 CCCOCCNCc1nc2ccccc2s1 270004a_100161115042_100011204187 [0,0,1,0,0,0|2,0,0]=3 1338 B18R2.7339 CCCOCCNCc1nc2ccccc2s1 34a_100161115042_100011217541 [0,0,1,0,0,0|2,0,0]=3 1339 B18R2.7339 CCCOCCOCc1nc2ccccc2s1 34a_100000752267_100011217541 [0,0,1,0,0,0|3,0,0]=4 1340 B18R2.7339 CCCOCCOCc1nc2ccccc2s1 7a_100000752267_100011217541 [0,0,1,0,0,0|3,0,0]=4 1341 B18R2.7339 CCCOCCSCc1nc2ccccc2s1 62a_100011215938_100000766747 [0,0,1,0,0,0|3,0,0]=4 1342 B18R2.7339 CCCOCCSCc1nc2ccccc2s1 62a_100011217541_100011215938 [0,0,1,0,0,0|3,0,0]=4 1343 B18R2.7339 CCCSCCNCc1cc2ccccc2s1 207a_100020603323_100000686906 [0,0,1,0,0,0|3,0,0]=4 1344 B18R2.7339 CCCSCCNCc1cc2ccccc2s1 270004a_100020603323_100000686906 [0,0,1,0,0,0|3,0,0]=4 1345 B18R2.7339 CCCSCCNCc1nc2ccccc2[nH]1 207a_100020603323_100000185668 [0,0,1,0,0,0|3,0,0]=4 1346 B18R2.7339 CCCSCCNCc1nc2ccccc2[nH]1 2230a_100020603323_100000737899 [0,0,1,0,0,0|3,0,0]=4 1347 B18R2.7339 CCCSCCNCc1nc2ccccc2[nH]1 270004a_100020603323_100000185668 [0,0,1,0,0,0|3,0,0]=4 1348 B18R2.7339 CCCSCCNCc1nc2ccccc2o1 2230a_100020603323_100000195508 [0,0,1,0,0,0|2,1,0]=4 1349 B18R2.7339 CCCSCCNCc1nc2ccccc2s1 2230a_100020603323_100000766747 [0,0,1,0,0,0|2,0,0]=3 1350 B18R2.7339 CCCSCCNCc1nc2ccccc2s1 270004a_100020603323_100011204187 [0,0,1,0,0,0|2,0,0]=3 1351 B18R2.7339 CCCSCCOCc1nc2ccccc2s1 34a_200000230433_100011217541 [0,0,1,0,0,0|3,0,0]=4 1352 B18R2.7339 CCCSCCOCc1nc2ccccc2s1 7a_200000230433_100011217541 [0,0,1,0,0,0|3,0,0]=4 1353 B18R2.7339 CCOCCCNCc1cc2ccccc2s1 207a_100000210961_100000686906 [0,0,1,0,0,0|3,0,0]=4 1354 B18R2.7339 CCOCCCNCc1cc2ccccc2s1 2230a_100015187092_100012232248 [0,0,1,0,0,0|3,0,0]=4 1355 B18R2.7339 CCOCCCNCc1cc2ccccc2s1 270004a_100000210961_100000686906 [0,0,1,0,0,0|3,0,0]=4 1356 B18R2.7339 CCOCCCNCc1nc2ccccc2[nH]1 207a_100000210961_100000185668 [0,0,1,0,0,0|3,0,0]=4 1357 B18R2.7339 CCOCCCNCc1nc2ccccc2[nH]1 2230a_100000210961_100000737899 [0,0,1,0,0,0|3,0,0]=4 1358 B18R2.7339 CCOCCCNCc1nc2ccccc2[nH]1 270004a_100000210961_100000185668 [0,0,1,0,0,0|3,0,0]=4 1359 B18R2.7339 CCOCCCNCc1nc2ccccc2o1 2230a_100000210961_100000195508 [0,0,1,0,0,0|2,1,0]=4 1360 B18R2.7339 CCOCCCNCc1nc2ccccc2o1 34a_100000210961_200012361514 [0,0,1,0,0,0|2,1,0]=4 1361 B18R2.7339 CCOCCCNCc1nc2ccccc2s1 2230a_100000210961_100000766747 [0,0,1,0,0,0|2,0,0]=3 1362 B18R2.7339 CCOCCCNCc1nc2ccccc2s1 270004a_100000210961_100011204187 [0,0,1,0,0,0|2,0,0]=3 1363 B18R2.7339 CCOCCCNCc1nc2ccccc2s1 34a_100000210961_100011217541 [0,0,1,0,0,0|2,0,0]=3 1364 B18R2.7339 CCOCCCOCc1nc2ccccc2s1 34a_100000757476_100011217541 [0,0,1,0,0,0|3,0,0]=4 1365 B18R2.7339 CCOCCCOCc1nc2ccccc2s1 7a_100000757476_100011217541 [0,0,1,0,0,0|3,0,0]=4 1366 B18R2.7339 CCOCCCSCc1nc2ccccc2s1 62a_100011217541_100012232248 [0,0,1,0,0,0|3,0,0]=4 1367 B18R2.7339 CCOCCCSCc1nc2ccccc2s1 62a_100012232248_100000766747 [0,0,1,0,0,0|3,0,0]=4 1368 B18R2.7339 CCSCCCOCc1nc2ccccc2s1 34a_100011216438_100011217541 [0,0,1,0,0,0|3,0,0]=4 1369 B18R2.7339 CCSCCCOCc1nc2ccccc2s1 7a_100011216438_100011217541 [0,0,1,0,0,0|3,0,0]=4 1370 B18R2.7339 COCCCCCNc1nc2ccccc2s1 27a_100000747528_100000751744 [0,0,1,0,0,0|3,0,0]=4 1371 B18R2.7339 COCCCCNCc1cc2ccccc2s1 2230a_100015187092_100000730899 [0,0,1,0,0,0|3,0,0]=4 1372 B18R2.7339 COCCCCOCc1nc2ccccc2s1 34a_100000740925_100011217541 [0,0,1,0,0,0|3,0,0]=4 1373 B18R2.7339 COCCCCSCc1nc2ccccc2s1 62a_100000730899_100000766747 [0,0,1,0,0,0|3,0,0]=4 1374 B18R2.7339 COCCCCSCc1nc2ccccc2s1 62a_100011217541_100000730899 [0,0,1,0,0,0|3,0,0]=4 1375 B18R2.7339 COCCOCCSc1nc2ccccc2s1 62a_100000695917_100000751744 [0,0,1,0,0,0|3,0,0]=4 1376 B18R2.7339 CSCCCCOCc1nc2ccccc2s1 34a_100011217163_100011217541 [0,0,1,0,0,0|3,0,0]=4 1377 B18R2.7339 CSCCCCOCc1nc2ccccc2s1 7a_100011217163_100011217541 [0,0,1,0,0,0|3,0,0]=4 1378 B18R2.7339 ClCCCCCOCc1nc2ccccc2s1 34a_100000746330_100011217541 [0,0,1,0,0,0|3,0,0]=4 1379 B18R2.7339 ClCCCCCOCc1nc2ccccc2s1 7a_100000746330_100011217541 [0,0,1,0,0,0|3,0,0]=4 1380 B18R2.7339 FCCCCCCSc1nc2ccccc2[nH]1 62a_100015922095_100009814255 [0,0,1,0,0,0|3,0,0]=4 1381 B18R2.7339 FCCCCCCSc1nc2ccccc2s1 62a_100015922095_100000751744 [0,0,1,0,0,0|2,0,0]=3 1382 B18R2.7339 FCCCCCCSc1nc2cccnc2s1 62a_100010188088_100015922095 [0,0,1,0,0,0|3,0,0]=4 1383 B18R2.7339 FCCCCCCSc1nc2cccnc2s1 62a_100015922095_100010188088 [0,0,1,0,0,0|3,0,0]=4 1384 B18R2.7339 FCCCCCNCc1cc2ccccc2s1 2230a_100015187092_100000729378 [0,0,1,0,0,0|3,0,0]=4 1385 B18R2.7339 FCCCCCSCc1nc2ccccc2s1 62a_100000729378_100000766747 [0,0,1,0,0,0|3,0,0]=4 1386 B18R2.7339 FCCCCCSCc1nc2ccccc2s1 62a_100011217541_100000729378 [0,0,1,0,0,0|3,0,0]=4 1387 B18R2.7339 ICCCCCOCc1nc2ccccc2s1 34a_200012148887_100011217541 [0,0,1,0,0,0|3,0,0]=4 1388 B18R2.7339 ICCCCCOCc1nc2ccccc2s1 7a_200012148887_100011217541 [0,0,1,0,0,0|3,0,0]=4 1389 B18R2.7339 N#CCCCCCSc1nc2ccccc2s1 62a_100009813376_100000751744 [0,0,1,0,0,0|2,0,1]=4 1390 B18R2.7339 N#CCCCCNCc1nc2ccccc2s1 270004a_100000751965_100011204187 [0,0,1,0,0,0|2,0,1]=4 1391 B18R2.7339 NCCCCCOCc1nc2ccccc2s1 34a_100000762737_100011217541 [0,0,1,0,0,0|3,0,0]=4 1392 B18R2.7339 O=CCCCCCSc1nc2ccccc2s1 62a_100000139337_100000751744 [0,0,1,0,0,0|2,0,1]=4 1393 B18R2.7339 OCCCCCCNc1nc2ccccc2s1 27a_100000686447_100000751744 [0,0,1,0,0,0|3,0,0]=4 1394 B18R2.7339 OCCCCCCSc1cc2ccccc2s1 62a_100000766143_100009816949 [0,0,1,0,0,0|3,0,0]=4 1395 B18R2.7339 OCCCCCCSc1nc2ccccc2[nH]1 62a_100000766143_100009814255 [0,0,1,0,0,0|3,0,0]=4 1396 B18R2.7339 OCCCCCCSc1nc2ccccc2s1 62a_100000766143_100000751744 [0,0,1,0,0,0|2,0,0]=3 1397 B18R2.7339 OCCCCCCSc1nc2cccnc2s1 62a_100000766143_100010188088 [0,0,1,0,0,0|3,0,0]=4 1398 B18R2.7339 OCCCCCCSc1nc2cccnc2s1 62a_100010188088_100000766143 [0,0,1,0,0,0|3,0,0]=4 1399 B18R2.7339 OCCCCCNCc1cc2ccccc2s1 207a_100000762737_100000686906 [0,0,1,0,0,0|3,0,0]=4 1400 B18R2.7339 OCCCCCNCc1cc2ccccc2s1 2230a_100015187092_100000746330 [0,0,1,0,0,0|3,0,0]=4 1401 B18R2.7339 OCCCCCNCc1cc2ccccc2s1 270004a_100000762737_100000686906 [0,0,1,0,0,0|3,0,0]=4 1402 B18R2.7339 OCCCCCNCc1nc2ccccc2[nH]1 207a_100000762737_100000185668 [0,0,1,0,0,0|3,0,0]=4 1403 B18R2.7339 OCCCCCNCc1nc2ccccc2[nH]1 2230a_100000762737_100000737899 [0,0,1,0,0,0|3,0,0]=4 1404 B18R2.7339 OCCCCCNCc1nc2ccccc2[nH]1 270004a_100000762737_100000185668 [0,0,1,0,0,0|3,0,0]=4 1405 B18R2.7339 OCCCCCNCc1nc2ccccc2o1 2230a_100000762737_100000195508 [0,0,1,0,0,0|2,1,0]=4 1406 B18R2.7339 OCCCCCNCc1nc2ccccc2o1 34a_100000762737_200012361514 [0,0,1,0,0,0|2,1,0]=4 1407 B18R2.7339 OCCCCCNCc1nc2ccccc2s1 2230a_100000762737_100000766747 [0,0,1,0,0,0|2,0,0]=3 1408 B18R2.7339 OCCCCCNCc1nc2ccccc2s1 270004a_100000762737_100011204187 [0,0,1,0,0,0|2,0,0]=3 1409 B18R2.7339 OCCCCCNCc1nc2ccccc2s1 34a_100000762737_100011217541 [0,0,1,0,0,0|2,0,0]=3 1410 B18R2.7339 OCCCCCSCc1nc2ccccc2s1 62a_100000746330_100000766747 [0,0,1,0,0,0|3,0,0]=4 1411 B18R2.7339 OCCCCCSCc1nc2ccccc2s1 62a_100011217541_100000746330 [0,0,1,0,0,0|3,0,0]=4 1412 B18R2.7339 OCCOCCNCc1nc2ccccc2s1 2230a_100000211614_100000766747 [0,0,1,0,0,0|3,0,0]=4 1413 B18R2.7339 OCCOCCNCc1nc2ccccc2s1 270004a_100000211614_100011204187 [0,0,1,0,0,0|3,0,0]=4 1414 B18R2.7339 OCCOCCNCc1nc2ccccc2s1 34a_100000211614_100011217541 [0,0,1,0,0,0|3,0,0]=4 1415 B18R2.7339 OCCSCCNCc1nc2ccccc2s1 2230a_100011219999_100000766747 [0,0,1,0,0,0|3,0,0]=4 1416 B18R2.7339 OCCSCCNCc1nc2ccccc2s1 270004a_100011219999_100011204187 [0,0,1,0,0,0|3,0,0]=4 1417 B20R4.1699972 c1ccc2[nH]c(cc2c1)CNC3CC4CC4C3 270004a_100015204011_100010340937 [0,0,0,1,0,0|2,0,1]=4 1418 B20R4.1699972 c1ccc2[nH]c(nc2c1)CNC3CC4CC4C3 270004a_100000729406_100010340937 [0,0,0,1,0,0|2,0,0]=3 1419 B20R4.1699972 c1ccc2oc(cc2c1)CNC3CC4CC4C3 270004a_100011220112_100010340937 [0,0,0,1,0,0|2,1,0]=4 1420 B20R4.1699972 c1ccc2oc(nc2c1)CNC3CC4CC4C3 270004a_100000733820_100010340937 [0,0,0,1,0,0|1,1,0]=3 1421 B20R4.1699972 c1ccc2sc(cc2c1)CNC3CC4CC4C3 270004a_100015187092_100010340937 [0,0,0,1,0,0|2,0,0]=3 1422 B20R4.1699972 c1ccc2sc(nc2c1)NN=C3CC4CC4C3 4a_100000181811_100010340937 [0,0,0,1,0,0|1,0,2]=4 1423 B20R4.1699972 c1ccn2cc(nc2c1)CNC3CC4CC4C3 270004a_100000195574_100010340937 [0,0,0,1,0,0|3,0,0]=4 1424 B20R4.5824694 c1ccc2[nH]c(nc2c1)N3CC4CCC3CC4 27a_100000750499_100009814255 [0,0,0,1,0,0|3,0,0]=4 1425 B20R4.5824694 c1ccc2sc(nc2c1)N3CC4CCC3CC4 27a_100000750499_100000751744 [0,0,0,1,0,0|2,0,0]=3 1426 B20R4.5824694 c1cnc2sc(nc2c1)N3CC4CCC3CC4 27a_100000750499_100010188088 [0,0,0,1,0,0|3,0,0]=4 1427 B20R4.5824701 c1ccc2[nH]c(nc2c1)CNC3C4C3COC4 207a_100000702821_100000185668 [0,0,0,1,0,0|3,0,0]=4 1428 B20R4.5824701 c1ccc2[nH]c(nc2c1)CNC3C4C3COC4 2230a_100000702821_100000737899 [0,0,0,1,0,0|3,0,0]=4 1429 B20R4.5824701 c1ccc2[nH]c(nc2c1)CNC3C4C3COC4 270004a_100000702821_100000185668 [0,0,0,1,0,0|3,0,0]=4 1430 B20R4.5824701 c1ccc2oc(nc2c1)CNC3C4C3COC4 2230a_100000702821_100000195508 [0,0,0,1,0,0|2,1,0]=4 1431 B20R4.5824701 c1ccc2oc(nc2c1)CNC3C4C3COC4 34a_100000702821_200012361514 [0,0,0,1,0,0|2,1,0]=4 1432 B20R4.5824701 c1ccc2sc(cc2c1)CNC3C4C3COC4 207a_100000702821_100000686906 [0,0,0,1,0,0|3,0,0]=4 1433 B20R4.5824701 c1ccc2sc(cc2c1)CNC3C4C3COC4 270004a_100000702821_100000686906 [0,0,0,1,0,0|3,0,0]=4 1434 B20R4.5824701 c1ccc2sc(nc2c1)CNC3C4C3COC4 2230a_100000702821_100000766747 [0,0,0,1,0,0|2,0,0]=3 1435 B20R4.5824701 c1ccc2sc(nc2c1)CNC3C4C3COC4 270004a_100000702821_100011204187 [0,0,0,1,0,0|2,0,0]=3 1436 B20R4.5824701 c1ccc2sc(nc2c1)CNC3C4C3COC4 34a_100000702821_100011217541 [0,0,0,1,0,0|2,0,0]=3 1437 B20R4.7553715 c1cc2sc(cc2cn1)CN3C4CCC3CC4 270004a_100000735658_100000054438 [0,0,0,1,0,0|3,0,0]=4 1438 B20R4.7553715 c1ccc2[nH]c(cc2c1)CN3C4CCC3CC4 270004a_100000735658_100000051030 [0,0,0,1,0,0|2,0,1]=4 1439 B20R4.7553715 c1ccc2[nH]c(cc2c1)SC3C4CCC3CC4 62a_100009813300_100010232065 [0,0,0,1,0,0|2,0,1]=4 1440 B20R4.7553715 c1ccc2[nH]c(nc2c1)CN3C4CCC3CC4 2230a_100000735658_100000737899 [0,0,0,1,0,0|2,0,0]=3 1441 B20R4.7553715 c1ccc2[nH]c(nc2c1)CN3C4CCC3CC4 269982a_100000735658_100000737899 [0,0,0,1,0,0|2,0,0]=3 1442 B20R4.7553715 c1ccc2[nH]c(nc2c1)CN3C4CCC3CC4 270004a_100000735658_100000185668 [0,0,0,1,0,0|2,0,0]=3 1443 B20R4.7553715 c1ccc2[nH]c(nc2c1)SC3C4CCC3CC4 62a_100009813300_100009814255 [0,0,0,1,0,0|2,0,0]=3 1444 B20R4.7553715 c1ccc2oc(cc2c1)CN3C4CCC3CC4 270004a_100000735658_100000229944 [0,0,0,1,0,0|2,1,0]=4 1445 B20R4.7553715 c1ccc2oc(cc2c1)SC3C4CCC3CC4 62a_100009813300_100010159458 [0,0,0,1,0,0|2,1,0]=4 1446 B20R4.7553715 c1ccc2oc(nc2c1)CN3C4CCC3CC4 2230a_100000735658_100000195508 [0,0,0,1,0,0|1,1,0]=3 1447 B20R4.7553715 c1ccc2oc(nc2c1)CN3C4CCC3CC4 34a_100000735658_200012361514 [0,0,0,1,0,0|1,1,0]=3 1448 B20R4.7553715 c1ccc2sc(cc2c1)CN3C4CCC3CC4 270004a_100000735658_100000686906 [0,0,0,1,0,0|2,0,0]=3 1449 B20R4.7553715 c1ccc2sc(nc2c1)CN3C4CCC3CC4 2230a_100000735658_100000766747 [0,0,0,1,0,0|1,0,0]=2 1450 B20R4.7553715 c1ccc2sc(nc2c1)CN3C4CCC3CC4 269982a_100000735658_100011217541 [0,0,0,1,0,0|1,0,0]=2 1451 B20R4.7553715 c1ccc2sc(nc2c1)CN3C4CCC3CC4 270004a_100000735658_100011204187 [0,0,0,1,0,0|1,0,0]=2 1452 B20R4.7553715 c1ccc2sc(nc2c1)CN3C4CCC3CC4 34a_100000735658_100011217541 [0,0,0,1,0,0|1,0,0]=2 1453 B20R4.7553715 c1ccc2sc(nc2c1)SC3C4CCC3CC4 62a_100009813300_100000751744 [0,0,0,1,0,0|1,0,0]=2 1454 B20R4.7553715 c1ccn2cc(nc2c1)CN3C4CCC3CC4 2230a_100000735658_100000689847 [0,0,0,1,0,0|3,0,0]=4 1455 B20R4.7553715 c1ccn2cc(nc2c1)CN3C4CCC3CC4 269982a_100000735658_100000689847 [0,0,0,1,0,0|3,0,0]=4 1456 B20R4.7553715 c1ccn2cc(nc2c1)CN3C4CCC3CC4 34a_100000735658_100000689847 [0,0,0,1,0,0|3,0,0]=4 1457 B20R4.7553715 c1ccn2cc(nc2c1)SC3C4CCC3CC4 62a_100009813300_100009819586 [0,0,0,1,0,0|3,0,0]=4 1458 B20R4.7553715 c1cnc2[nH]c(nc2c1)CN3C4CCC3CC4 2230a_100000735658_100011549802 [0,0,0,1,0,0|3,0,0]=4 1459 B20R4.7553715 c1cnc2nc(oc2c1)CN3C4CCC3CC4 2230a_100000735658_100000696355 [0,0,0,1,0,0|2,1,0]=4 1460 B20R4.7553715 c1cnc2sc(cc2c1)CN3C4CCC3CC4 270004a_100000735658_100000050461 [0,0,0,1,0,0|3,0,0]=4 1461 B20R4.7553715 c1cnc2sc(nc2c1)SC3C4CCC3CC4 62a_100009813300_100010188088 [0,0,0,1,0,0|2,0,0]=3 1462 B20R4.7553715 c1cnc2sc(nc2c1)SC3C4CCC3CC4 62a_100010188088_100009813300 [0,0,0,1,0,0|2,0,0]=3 1463 B20R4.7553723 c1ccc2[nH]c(cc2c1)CNC3CCC4C3C4 270004a_100015204011_100000692480 [0,0,0,1,0,0|2,0,1]=4 1464 B20R4.7553723 c1ccc2[nH]c(nc2c1)CNC3CCC4C3C4 270004a_100000729406_100000692480 [0,0,0,1,0,0|2,0,0]=3 1465 B20R4.7553723 c1ccc2oc(cc2c1)CNC3CCC4C3C4 269862a_100011220112_100000692480 [0,0,0,1,0,0|2,1,0]=4 1466 B20R4.7553723 c1ccc2oc(cc2c1)CNC3CCC4C3C4 270004a_100011220112_100000692480 [0,0,0,1,0,0|2,1,0]=4 1467 B20R4.7553723 c1ccc2oc(nc2c1)CNC3CCC4C3C4 270004a_100000733820_100000692480 [0,0,0,1,0,0|1,1,0]=3 1468 B20R4.7553723 c1ccc2oc(nc2c1)COC3CCC4C3C4 34a_200012295571_200012361514 [0,0,0,1,0,0|2,1,0]=4 1469 B20R4.7553723 c1ccc2sc(cc2c1)CNC3CCC4C3C4 269862a_100015187092_100000692480 [0,0,0,1,0,0|2,0,0]=3 1470 B20R4.7553723 c1ccc2sc(cc2c1)CNC3CCC4C3C4 270004a_100015187092_100000692480 [0,0,0,1,0,0|2,0,0]=3 1471 B20R4.7553723 c1ccc2sc(nc2c1)COC3CCC4C3C4 34a_200012295571_100011217541 [0,0,0,1,0,0|2,0,0]=3 1472 B20R4.7553723 c1ccc2sc(nc2c1)NN=C3CCC4C3C4 4a_100000181811_100000692480 [0,0,0,1,0,0|1,0,2]=4 1473 B20R4.7553723 c1ccn2cc(nc2c1)CNC3CCC4C3C4 269862a_100000195574_100000692480 [0,0,0,1,0,0|3,0,0]=4 1474 B20R4.7553723 c1ccn2cc(nc2c1)CNC3CCC4C3C4 270004a_100000195574_100000692480 [0,0,0,1,0,0|3,0,0]=4 1475 B18R3.2100 c1ccc2c(c1)CC2=NNC3CCCCC3 4a_100000709804_100000051409 [0,0,0,0,1,0|2,0,0]=3 1476 B18R3.2100 c1ccc2c(c1)CC2=NNC3CCOCC3 4a_100000687383_100000051409 [0,0,0,0,1,0|3,0,0]=4 1477 B18R3.2100 c1ccc2c(c1)CC2SCC3CCCCC3 62a_100000211423_100009813401 [0,0,0,0,1,0|2,0,1]=4 1478 B18R3.2100 c1ccc2c(c1)CC2SCC3CCCCC3 62a_100009813401_100000211423 [0,0,0,0,1,0|2,0,1]=4 1479 B18R3.12728 C1=CCC(C1)NCc2nc3ccccc3s2 2230a_100015188752_100000766747 [0,0,0,0,1,0|1,0,2]=4 1480 B18R3.12728 C1=CCC(C1)NCc2nc3ccccc3s2 270004a_100015188752_100011204187 [0,0,0,0,1,0|1,0,2]=4 1481 B18R3.12728 c1cc2sc(cc2cn1)CNC3CCCC3 207a_100000211070_100000054438 [0,0,0,0,1,0|3,0,0]=4 1482 B18R3.12728 c1cc2sc(cc2cn1)CNC3CCCC3 270004a_100000211070_100000054438 [0,0,0,0,1,0|3,0,0]=4 1483 B18R3.12728 c1ccc2[nH]c(cc2c1)CNC3CCCC3 270004a_100000211070_100000051030 [0,0,0,0,1,0|2,0,1]=4 1484 B18R3.12728 c1ccc2[nH]c(cc2c1)CNC3CCCC3 270004a_100015204011_100000210133 [0,0,0,0,1,0|2,0,1]=4 1485 B18R3.12728 c1ccc2[nH]c(cc2c1)SCC3CCCC3 62a_100000740388_100010232065 [0,0,0,0,1,0|2,0,1]=4 1486 B18R3.12728 c1ccc2[nH]c(nc2c1)CNC3CCCC3 207a_100000211070_100000185668 [0,0,0,0,1,0|2,0,0]=3 1487 B18R3.12728 c1ccc2[nH]c(nc2c1)CNC3CCCC3 2230a_100000211070_100000737899 [0,0,0,0,1,0|2,0,0]=3 1488 B18R3.12728 c1ccc2[nH]c(nc2c1)CNC3CCCC3 270004a_100000211070_100000185668 [0,0,0,0,1,0|2,0,0]=3 1489 B18R3.12728 c1ccc2[nH]c(nc2c1)CNC3CCCC3 270004a_100000729406_100000210133 [0,0,0,0,1,0|2,0,0]=3 1490 B18R3.12728 c1ccc2[nH]c(nc2c1)CNC3CCOC3 270004a_100000729406_100000752484 [0,0,0,0,1,0|3,0,0]=4 1491 B18R3.12728 c1ccc2[nH]c(nc2c1)CNC3CCSC3 270004a_100000729406_100000212027 [0,0,0,0,1,0|3,0,0]=4 1492 B18R3.12728 c1ccc2[nH]c(nc2c1)CN[C@@H]3CCOC3 207a_200015188469_100000185668 [0,0,0,0,1,0|3,0,0]=4 1493 B18R3.12728 c1ccc2[nH]c(nc2c1)CN[C@@H]3CCOC3 2230a_200015188469_100000737899 [0,0,0,0,1,0|3,0,0]=4 1494 B18R3.12728 c1ccc2[nH]c(nc2c1)CN[C@@H]3CCOC3 270004a_200015188469_100000185668 [0,0,0,0,1,0|3,0,0]=4 1495 B18R3.12728 c1ccc2[nH]c(nc2c1)CN[C@H]3CCOC3 207a_100015188467_100000185668 [0,0,0,0,1,0|3,0,0]=4 1496 B18R3.12728 c1ccc2[nH]c(nc2c1)CN[C@H]3CCOC3 2230a_100015188467_100000737899 [0,0,0,0,1,0|3,0,0]=4 1497 B18R3.12728 c1ccc2[nH]c(nc2c1)CN[C@H]3CCOC3 270004a_100015188467_100000185668 [0,0,0,0,1,0|3,0,0]=4 1498 B18R3.12728 c1ccc2[nH]c(nc2c1)COC3CCCC3 7a_100000210269_100000737899 [0,0,0,0,1,0|3,0,0]=4 1499 B18R3.12728 c1ccc2[nH]c(nc2c1)CSC3CCCC3 62a_100011217020_100000737899 [0,0,0,0,1,0|3,0,0]=4 1500 B18R3.12728 c1ccc2[nH]c(nc2c1)NCC3CCCC3 27a_100000737975_100009814255 [0,0,0,0,1,0|3,0,0]=4 1501 B18R3.12728 c1ccc2[nH]c(nc2c1)SCC3CCCC3 62a_100000740388_100009814255 [0,0,0,0,1,0|2,0,0]=3 1502 B18R3.12728 c1ccc2[nH]c(nc2c1)SCC3CCCO3 62a_100000203698_100009814255 [0,0,0,0,1,0|3,0,0]=4 1503 B18R3.12728 c1ccc2[nH]c(nc2c1)SCC3CCOC3 62a_100000702531_100009814255 [0,0,0,0,1,0|3,0,0]=4 1504 B18R3.12728 c1ccc2c(c1)CC(=NNC3CCCC3)C2 4a_100000737850_100000211675 [0,0,0,0,1,0|3,0,0]=4 1505 B18R3.12728 c1ccc2oc(cc2c1)CNC3CCCC3 207a_100000211070_100000229944 [0,0,0,0,1,0|2,1,0]=4 1506 B18R3.12728 c1ccc2oc(cc2c1)CNC3CCCC3 270004a_100000211070_100000229944 [0,0,0,0,1,0|2,1,0]=4 1507 B18R3.12728 c1ccc2oc(cc2c1)CNC3CCCC3 270004a_100011220112_100000210133 [0,0,0,0,1,0|2,1,0]=4 1508 B18R3.12728 c1ccc2oc(cc2c1)SCC3CCCC3 62a_100000740388_100010159458 [0,0,0,0,1,0|2,1,0]=4 1509 B18R3.12728 c1ccc2oc(nc2c1)CNC3CCCC3 2230a_100000211070_100000195508 [0,0,0,0,1,0|1,1,0]=3 1510 B18R3.12728 c1ccc2oc(nc2c1)CNC3CCCC3 270004a_100000733820_100000210133 [0,0,0,0,1,0|1,1,0]=3 1511 B18R3.12728 c1ccc2oc(nc2c1)CNC3CCCC3 34a_100000211070_200012361514 [0,0,0,0,1,0|1,1,0]=3 1512 B18R3.12728 c1ccc2oc(nc2c1)CNC3CCOC3 270004a_100000733820_100000752484 [0,0,0,0,1,0|2,1,0]=4 1513 B18R3.12728 c1ccc2oc(nc2c1)CNC3CCSC3 270004a_100000733820_100000212027 [0,0,0,0,1,0|2,1,0]=4 1514 B18R3.12728 c1ccc2oc(nc2c1)CN[C@@H]3CCOC3 2230a_200015188469_100000195508 [0,0,0,0,1,0|2,1,0]=4 1515 B18R3.12728 c1ccc2oc(nc2c1)CN[C@H]3CCOC3 2230a_100015188467_100000195508 [0,0,0,0,1,0|2,1,0]=4 1516 B18R3.12728 c1ccc2oc(nc2c1)CN[C@H]3CCOC3 34a_100015188467_200012361514 [0,0,0,0,1,0|2,1,0]=4 1517 B18R3.12728 c1ccc2oc(nc2c1)COC3CCCC3 34a_100000210269_200012361514 [0,0,0,0,1,0|2,1,0]=4 1518 B18R3.12728 c1ccc2oc(nc2c1)COC3CCCC3 7a_100000210269_100000195508 [0,0,0,0,1,0|2,1,0]=4 1519 B18R3.12728 c1ccc2oc(nc2c1)CSC3CCCC3 62a_100011217020_100000195508 [0,0,0,0,1,0|2,1,0]=4 1520 B18R3.12728 c1ccc2sc(cc2c1)CNC3CCCC3 207a_100000211070_100000686906 [0,0,0,0,1,0|2,0,0]=3 1521 B18R3.12728 c1ccc2sc(cc2c1)CNC3CCCC3 2230a_100015187092_100000179811 [0,0,0,0,1,0|2,0,0]=3 1522 B18R3.12728 c1ccc2sc(cc2c1)CNC3CCCC3 270004a_100000211070_100000686906 [0,0,0,0,1,0|2,0,0]=3 1523 B18R3.12728 c1ccc2sc(cc2c1)CNC3CCCC3 270004a_100015187092_100000210133 [0,0,0,0,1,0|2,0,0]=3 1524 B18R3.12728 c1ccc2sc(cc2c1)CNC3CCOC3 2230a_100015187092_100000731011 [0,0,0,0,1,0|3,0,0]=4 1525 B18R3.12728 c1ccc2sc(cc2c1)CNC3CCOC3 270004a_100015187092_100000752484 [0,0,0,0,1,0|3,0,0]=4 1526 B18R3.12728 c1ccc2sc(cc2c1)CNC3CCSC3 270004a_100015187092_100000212027 [0,0,0,0,1,0|3,0,0]=4 1527 B18R3.12728 c1ccc2sc(cc2c1)CN[C@@H]3CCOC3 207a_200015188469_100000686906 [0,0,0,0,1,0|3,0,0]=4 1528 B18R3.12728 c1ccc2sc(cc2c1)CN[C@@H]3CCOC3 270004a_200015188469_100000686906 [0,0,0,0,1,0|3,0,0]=4 1529 B18R3.12728 c1ccc2sc(cc2c1)CN[C@H]3CCOC3 207a_100015188467_100000686906 [0,0,0,0,1,0|3,0,0]=4 1530 B18R3.12728 c1ccc2sc(cc2c1)CN[C@H]3CCOC3 270004a_100015188467_100000686906 [0,0,0,0,1,0|3,0,0]=4 1531 B18R3.12728 c1ccc2sc(cc2c1)SCC3CCCO3 62a_100000203698_100009816949 [0,0,0,0,1,0|3,0,0]=4 1532 B18R3.12728 c1ccc2sc(cc2c1)SCC3CCOC3 62a_100000702531_100009816949 [0,0,0,0,1,0|3,0,0]=4 1533 B18R3.12728 c1ccc2sc(nc2c1)CNC3CCCC3 2230a_100000211070_100000766747 [0,0,0,0,1,0|1,0,0]=2 1534 B18R3.12728 c1ccc2sc(nc2c1)CNC3CCCC3 270004a_100000211070_100011204187 [0,0,0,0,1,0|1,0,0]=2 1535 B18R3.12728 c1ccc2sc(nc2c1)CNC3CCCC3 34a_100000211070_100011217541 [0,0,0,0,1,0|1,0,0]=2 1536 B18R3.12728 c1ccc2sc(nc2c1)CN[C@@H]3CCOC3 2230a_200015188469_100000766747 [0,0,0,0,1,0|2,0,0]=3 1537 B18R3.12728 c1ccc2sc(nc2c1)CN[C@@H]3CCOC3 270004a_200015188469_100011204187 [0,0,0,0,1,0|2,0,0]=3 1538 B18R3.12728 c1ccc2sc(nc2c1)CN[C@H]3CCOC3 2230a_100015188467_100000766747 [0,0,0,0,1,0|2,0,0]=3 1539 B18R3.12728 c1ccc2sc(nc2c1)CN[C@H]3CCOC3 270004a_100015188467_100011204187 [0,0,0,0,1,0|2,0,0]=3 1540 B18R3.12728 c1ccc2sc(nc2c1)CN[C@H]3CCOC3 34a_100015188467_100011217541 [0,0,0,0,1,0|2,0,0]=3 1541 B18R3.12728 c1ccc2sc(nc2c1)COC3CCCC3 34a_100000210269_100011217541 [0,0,0,0,1,0|2,0,0]=3 1542 B18R3.12728 c1ccc2sc(nc2c1)COC3CCCC3 7a_100000210269_100011217541 [0,0,0,0,1,0|2,0,0]=3 1543 B18R3.12728 c1ccc2sc(nc2c1)COC3CCCO3 34a_100000085407_100011217541 [0,0,0,0,1,0|3,0,0]=4 1544 B18R3.12728 c1ccc2sc(nc2c1)COC3CCSC3 7a_100011232664_100011217541 [0,0,0,0,1,0|3,0,0]=4 1545 B18R3.12728 c1ccc2sc(nc2c1)CO[C@H]3CCOC3 34a_100000717292_100011217541 [0,0,0,0,1,0|3,0,0]=4 1546 B18R3.12728 c1ccc2sc(nc2c1)CSC3CCCC3 62a_100011217020_100000766747 [0,0,0,0,1,0|2,0,0]=3 1547 B18R3.12728 c1ccc2sc(nc2c1)CSC3CCCC3 62a_100011217541_100000179811 [0,0,0,0,1,0|2,0,0]=3 1548 B18R3.12728 c1ccc2sc(nc2c1)CSC3CCOC3 62a_100011217541_100000690089 [0,0,0,0,1,0|3,0,0]=4 1549 B18R3.12728 c1ccc2sc(nc2c1)NCC3CCCC3 27a_100000737975_100000751744 [0,0,0,0,1,0|2,0,0]=3 1550 B18R3.12728 c1ccc2sc(nc2c1)NCC3CCOC3 27a_100000737293_100000751744 [0,0,0,0,1,0|3,0,0]=4 1551 B18R3.12728 c1ccc2sc(nc2c1)NC[C@@H]3CCCO3 27a_100020590478_100000751744 [0,0,0,0,1,0|3,0,0]=4 1552 B18R3.12728 c1ccc2sc(nc2c1)NN=C3CCCC3 4a_100000181811_100000210133 [0,0,0,0,1,0|1,0,2]=4 1553 B18R3.12728 c1ccc2sc(nc2c1)SCC3CCCC3 62a_100000740388_100000751744 [0,0,0,0,1,0|1,0,0]=2 1554 B18R3.12728 c1ccc2sc(nc2c1)SCC3CCCO3 62a_100000203698_100000751744 [0,0,0,0,1,0|2,0,0]=3 1555 B18R3.12728 c1ccc2sc(nc2c1)SCC3CCOC3 62a_100000702531_100000751744 [0,0,0,0,1,0|2,0,0]=3 1556 B18R3.12728 c1ccc2sc(nc2c1)SCC3OCCO3 62a_100000755774_100000751744 [0,0,0,0,1,0|3,0,0]=4 1557 B18R3.12728 c1ccn2cc(nc2c1)CNC3CCCC3 207a_100000211070_100000743146 [0,0,0,0,1,0|3,0,0]=4 1558 B18R3.12728 c1ccn2cc(nc2c1)CNC3CCCC3 2230a_100000211070_100000689847 [0,0,0,0,1,0|3,0,0]=4 1559 B18R3.12728 c1ccn2cc(nc2c1)CNC3CCCC3 270004a_100000195574_100000210133 [0,0,0,0,1,0|3,0,0]=4 1560 B18R3.12728 c1ccn2cc(nc2c1)CNC3CCCC3 34a_100000211070_100000689847 [0,0,0,0,1,0|3,0,0]=4 1561 B18R3.12728 c1ccn2cc(nc2c1)SCC3CCCC3 62a_100000740388_100009819586 [0,0,0,0,1,0|3,0,0]=4 1562 B18R3.12728 c1cnc2[nH]c(nc2c1)CNC3CCCC3 2230a_100000211070_100011549802 [0,0,0,0,1,0|3,0,0]=4 1563 B18R3.12728 c1cnc2nc(oc2c1)CNC3CCCC3 2230a_100000211070_100000696355 [0,0,0,0,1,0|2,1,0]=4 1564 B18R3.12728 c1cnc2sc(cc2c1)CNC3CCCC3 207a_100000211070_100000050461 [0,0,0,0,1,0|3,0,0]=4 1565 B18R3.12728 c1cnc2sc(cc2c1)CNC3CCCC3 270004a_100000211070_100000050461 [0,0,0,0,1,0|3,0,0]=4 1566 B18R3.12728 c1cnc2sc(nc2c1)NCC3CCCC3 27a_100000737975_100010188088 [0,0,0,0,1,0|3,0,0]=4 1567 B18R3.12728 c1cnc2sc(nc2c1)SCC3CCCC3 62a_100000740388_100010188088 [0,0,0,0,1,0|2,0,0]=3 1568 B18R3.12728 c1cnc2sc(nc2c1)SCC3CCCC3 62a_100010188088_100000740388 [0,0,0,0,1,0|2,0,0]=3 1569 B18R3.12728 c1cnc2sc(nc2c1)SCC3CCCO3 62a_100000203698_100010188088 [0,0,0,0,1,0|3,0,0]=4 1570 B18R3.12728 c1cnc2sc(nc2c1)SCC3CCCO3 62a_100010188088_100000203698 [0,0,0,0,1,0|3,0,0]=4 1571 B18R3.12728 c1cnc2sc(nc2c1)SCC3CCOC3 62a_100000702531_100010188088 [0,0,0,0,1,0|3,0,0]=4 1572 B18R3.12728 c1cnc2sc(nc2c1)SCC3CCOC3 62a_100010188088_100000702531 [0,0,0,0,1,0|3,0,0]=4 1573 B18R3.12830 c1cc2sc(cc2s1)CNC3CCCCC3 207a_100000182618_100012178816 [0,0,0,0,1,0|3,0,0]=4 1574 B18R3.12830 c1cc2sc(cc2s1)CNC3CCCCC3 270004a_100000182618_100012178816 [0,0,0,0,1,0|3,0,0]=4 1575 B18R3.12830 c1cn2nc(sc2n1)SCC3CCCCC3 62a_100000211423_100011333511 [0,0,0,0,1,0|3,0,0]=4 1576 B18R3.12875 C1=CC(CCC1)Sc2nc3ccccc3[nH]2 62a_100000751183_100009814255 [0,0,0,0,1,0|1,0,2]=4 1577 B18R3.12875 C1=CC(CCC1)Sc2nc3ccccc3s2 62a_100000751183_100000751744 [0,0,0,0,1,0|0,0,2]=3 1578 B18R3.12875 C1=CC(CCC1)Sc2nc3cccnc3s2 62a_100000751183_100010188088 [0,0,0,0,1,0|1,0,2]=4 1579 B18R3.12875 C1=CC(CCC1)Sc2nc3cccnc3s2 62a_100010188088_100000751183 [0,0,0,0,1,0|1,0,2]=4 1580 B18R3.12875 c1ccc2[nH]c(cc2c1)SC3CCCCC3 62a_100000210327_100010232065 [0,0,0,0,1,0|1,0,1]=3 1581 B18R3.12875 c1ccc2[nH]c(nc2c1)NC3CCCCC3 27a_100000182618_100009814255 [0,0,0,0,1,0|1,0,0]=2 1582 B18R3.12875 c1ccc2[nH]c(nc2c1)NC3CCCOC3 27a_100000719290_100009814255 [0,0,0,0,1,0|2,0,0]=3 1583 B18R3.12875 c1ccc2[nH]c(nc2c1)NC3CCOCC3 27a_100000741149_100009814255 [0,0,0,0,1,0|2,0,0]=3 1584 B18R3.12875 c1ccc2[nH]c(nc2c1)NC3CCSCC3 27a_100000748639_100009814255 [0,0,0,0,1,0|2,0,0]=3 1585 B18R3.12875 c1ccc2[nH]c(nc2c1)SC3CCCCC3 62a_100000210327_100009814255 [0,0,0,0,1,0|1,0,0]=2 1586 B18R3.12875 c1ccc2c(c1)CC(C2)NC3CCCCC3 270004a_100000753258_100000210434 [0,0,0,0,1,0|2,0,1]=4 1587 B18R3.12875 c1ccc2c(c1)CC(C2)NC3CCCCC3 34a_100000182618_100000753484 [0,0,0,0,1,0|2,0,1]=4 1588 B18R3.12875 c1ccc2c(c1)CC(C2)NC3CCCCC3 34a_100000753258_100000210327 [0,0,0,0,1,0|2,0,1]=4 1589 B18R3.12875 c1ccc2c(c1)CC(C2)SC3CCCCC3 62a_100000210327_100000753484 [0,0,0,0,1,0|2,0,1]=4 1590 B18R3.12875 c1ccc2oc(cc2c1)SC3CCCCC3 62a_100000210327_100010159458 [0,0,0,0,1,0|1,1,0]=3 1591 B18R3.12875 c1ccc2sc(nc2c1)CN3CCCOC3 2230a_100000131196_100000766747 [0,0,0,0,1,0|3,0,0]=4 1592 B18R3.12875 c1ccc2sc(nc2c1)CN3CCCOC3 269982a_100000131196_100011217541 [0,0,0,0,1,0|3,0,0]=4 1593 B18R3.12875 c1ccc2sc(nc2c1)CN3CCCOC3 270004a_100000131196_100011204187 [0,0,0,0,1,0|3,0,0]=4 1594 B18R3.12875 c1ccc2sc(nc2c1)CN3CCCOC3 34a_100000131196_100011217541 [0,0,0,0,1,0|3,0,0]=4 1595 B18R3.12875 c1ccc2sc(nc2c1)CN3CCOCC3 2230a_100015191051_100000766747 [0,0,0,0,1,0|3,0,0]=4 1596 B18R3.12875 c1ccc2sc(nc2c1)CN3CCOCC3 269982a_100015191051_100011217541 [0,0,0,0,1,0|3,0,0]=4 1597 B18R3.12875 c1ccc2sc(nc2c1)CN3CCOCC3 270004a_100015191051_100011204187 [0,0,0,0,1,0|3,0,0]=4 1598 B18R3.12875 c1ccc2sc(nc2c1)CN3CCOCC3 34a_100015191051_100011217541 [0,0,0,0,1,0|3,0,0]=4 1599 B18R3.12875 c1ccc2sc(nc2c1)CN3CCSCC3 2230a_100000737611_100000766747 [0,0,0,0,1,0|3,0,0]=4 1600 B18R3.12875 c1ccc2sc(nc2c1)CN3CCSCC3 269982a_100000737611_100011217541 [0,0,0,0,1,0|3,0,0]=4 1601 B18R3.12875 c1ccc2sc(nc2c1)CN3CCSCC3 270004a_100000737611_100011204187 [0,0,0,0,1,0|3,0,0]=4 1602 B18R3.12875 c1ccc2sc(nc2c1)NC3CCCCC3 27a_100000182618_100000751744 [0,0,0,0,1,0|0,0,0]=1 1603 B18R3.12875 c1ccc2sc(nc2c1)NC3CCCOC3 27a_100000719290_100000751744 [0,0,0,0,1,0|1,0,0]=2 1604 B18R3.12875 c1ccc2sc(nc2c1)NC3CCOCC3 27a_100000741149_100000751744 [0,0,0,0,1,0|1,0,0]=2 1605 B18R3.12875 c1ccc2sc(nc2c1)NC3CCSCC3 27a_100000748639_100000751744 [0,0,0,0,1,0|1,0,0]=2 1606 B18R3.12875 c1ccc2sc(nc2c1)SC3CCCCC3 62a_100000210327_100000751744 [0,0,0,0,1,0|0,0,0]=1 1607 B18R3.12875 c1ccn2cc(nc2c1)SC3CCCCC3 62a_100000210327_100009819586 [0,0,0,0,1,0|2,0,0]=3 1608 B18R3.12875 c1cn2nc(nc2cn1)NC3CCCCC3 27a_100000182618_100010748104 [0,0,0,0,1,0|3,0,0]=4 1609 B18R3.12875 c1cn2nc(nc2cn1)SC3CCCCC3 62a_100000210327_100010748104 [0,0,0,0,1,0|3,0,0]=4 1610 B18R3.12875 c1cn2nc(nc2cn1)SC3CCCCC3 62a_100010748104_100000210327 [0,0,0,0,1,0|3,0,0]=4 1611 B18R3.12875 c1cnc2[nH]c(cc2c1)SC3CCCCC3 62a_100000210327_100010079843 [0,0,0,0,1,0|2,0,1]=4 1612 B18R3.12875 c1cnc2sc(nc2c1)NC3CCCCC3 27a_100000182618_100010188088 [0,0,0,0,1,0|1,0,0]=2 1613 B18R3.12875 c1cnc2sc(nc2c1)NC3CCCOC3 27a_100000719290_100010188088 [0,0,0,0,1,0|2,0,0]=3 1614 B18R3.12875 c1cnc2sc(nc2c1)NC3CCOCC3 27a_100000741149_100010188088 [0,0,0,0,1,0|2,0,0]=3 1615 B18R3.12875 c1cnc2sc(nc2c1)NC3CCSCC3 27a_100000748639_100010188088 [0,0,0,0,1,0|2,0,0]=3 1616 B18R3.12875 c1cnc2sc(nc2c1)SC3CCCCC3 62a_100000210327_100010188088 [0,0,0,0,1,0|1,0,0]=2 1617 B18R3.12875 c1cnc2sc(nc2c1)SC3CCCCC3 62a_100010188088_100000210327 [0,0,0,0,1,0|1,0,0]=2 1618 B18R3.12875 c1cnc2sc(nc2c1)SC3CCCOC3 62a_100010188088_100000693364 [0,0,0,0,1,0|2,0,0]=3 1619 B18R3.12875 c1cnc2sc(nc2c1)SC3CCOCC3 62a_100010188088_100011324220 [0,0,0,0,1,0|2,0,0]=3 1620 B18R3.12875 c1cnc2sc(nc2c1)SC3CCSCC3 62a_100010188088_100000069128 [0,0,0,0,1,0|2,0,0]=3 1621 B18R3.12875 c1cnn2cc(nc2c1)SC3CCCCC3 62a_100000210327_200010296001 [0,0,0,0,1,0|3,0,0]=4 1622 B18R3.12875 c1cnn2cc(nc2c1)SC3CCCCC3 62a_200010296001_100000210327 [0,0,0,0,1,0|3,0,0]=4 1623 B20R3.30190 C(=CC1CCCCC1)c2cc3ccccc3cn2 271570a_100016283615_100000047361 [0,0,0,0,0,1|3,0,0]=4 1624 B20R3.30190 C(=CC1CCCCC1)c2ccc3ccccc3n2 271570a_100016283615_100011291633 [0,0,0,0,0,1|3,0,0]=4 1625 B20R3.30190 C(=CC1CCCCC1)c2cnc3ccccc3c2 271570a_100016283615_100000737414 [0,0,0,0,0,1|3,0,0]=4 1626 B20R3.30190 C(=CC1CCCCC1)c2cnc3ccccc3n2 271570a_100016283615_100000756483 [0,0,0,0,0,1|3,0,0]=4 1627 B20R3.30190 C(=CC1CCCCC1)c2ncc3ccccc3n2 271570a_100016283615_100000097389 [0,0,0,0,0,1|3,0,0]=4 1628 B20R3.30190 C1=C(COc2c1cccc2)CNC3CCCCC3 270004a_100000182618_100000013085 [0,0,0,0,0,1|2,1,0]=4 1629 B20R3.30190 c1cc2ccc(nc2cn1)SCC3CCCCC3 62a_100000211423_100000020162 [0,0,0,0,0,1|3,0,0]=4 1630 B20R3.30190 c1ccc2c(c1)CC(=NNC3CCCCC3)CO2 4a_100000709804_100000048293 [0,0,0,0,0,1|2,1,0]=4 1631 B20R3.30190 c1ccc2c(c1)CCC(=NNC3CCCCC3)C2 4a_100000709804_100000212018 [0,0,0,0,0,1|3,0,0]=4 1632 B20R3.30190 c1ccc2cc(ccc2c1)CNC3CCCCC3 207a_100000182618_100000211584 [0,0,0,0,0,1|3,0,0]=4 1633 B20R3.30190 c1ccc2cc(ccc2c1)CNC3CCCCC3 2230a_100000182618_100011216711 [0,0,0,0,0,1|3,0,0]=4 1634 B20R3.30190 c1ccc2cc(ccc2c1)CNC3CCCCC3 270004a_100000182618_100000211584 [0,0,0,0,0,1|3,0,0]=4 1635 B20R3.30190 c1ccc2cc(ccc2c1)CNC3CCCCC3 270004a_100000739491_100000210434 [0,0,0,0,0,1|3,0,0]=4 1636 B20R3.30190 c1ccc2cc(ccc2c1)CNC3CCCCC3 34a_100000182618_100011216711 [0,0,0,0,0,1|3,0,0]=4 1637 B20R3.30190 c1ccc2cc(ccc2c1)CNC3CCCCC3 34a_100000739491_100000210327 [0,0,0,0,0,1|3,0,0]=4 1638 B20R3.30190 c1ccc2cc(ncc2c1)CNC3CCCCC3 207a_100000182618_100000059776 [0,0,0,0,0,1|2,0,0]=3 1639 B20R3.30190 c1ccc2cc(ncc2c1)CNC3CCCCC3 2230a_100000182618_100009869231 [0,0,0,0,0,1|2,0,0]=3 1640 B20R3.30190 c1ccc2cc(ncc2c1)CNC3CCCCC3 270004a_100000182618_100000059776 [0,0,0,0,0,1|2,0,0]=3 1641 B20R3.30190 c1ccc2cc(ncc2c1)CNC3CCCCC3 34a_100000182618_100009869231 [0,0,0,0,0,1|2,0,0]=3 1642 B20R3.30190 c1ccc2cc(ncc2c1)CNC3CCCOC3 207a_100000719290_100000059776 [0,0,0,0,0,1|3,0,0]=4 1643 B20R3.30190 c1ccc2cc(ncc2c1)CNC3CCCOC3 2230a_100000719290_100009869231 [0,0,0,0,0,1|3,0,0]=4 1644 B20R3.30190 c1ccc2cc(ncc2c1)CNC3CCCOC3 270004a_100000719290_100000059776 [0,0,0,0,0,1|3,0,0]=4 1645 B20R3.30190 c1ccc2cc(ncc2c1)CNC3CCCOC3 34a_100000719290_100009869231 [0,0,0,0,0,1|3,0,0]=4 1646 B20R3.30190 c1ccc2cc(ncc2c1)CNC3CCOCC3 207a_100000741149_100000059776 [0,0,0,0,0,1|3,0,0]=4 1647 B20R3.30190 c1ccc2cc(ncc2c1)CNC3CCOCC3 2230a_100000741149_100009869231 [0,0,0,0,0,1|3,0,0]=4 1648 B20R3.30190 c1ccc2cc(ncc2c1)CNC3CCOCC3 270004a_100000741149_100000059776 [0,0,0,0,0,1|3,0,0]=4 1649 B20R3.30190 c1ccc2cc(ncc2c1)CNC3CCOCC3 34a_100000741149_100009869231 [0,0,0,0,0,1|3,0,0]=4 1650 B20R3.30190 c1ccc2cc(ncc2c1)CNC3CCSCC3 207a_100000748639_100000059776 [0,0,0,0,0,1|3,0,0]=4 1651 B20R3.30190 c1ccc2cc(ncc2c1)CNC3CCSCC3 2230a_100000748639_100009869231 [0,0,0,0,0,1|3,0,0]=4 1652 B20R3.30190 c1ccc2cc(ncc2c1)CNC3CCSCC3 270004a_100000748639_100000059776 [0,0,0,0,0,1|3,0,0]=4 1653 B20R3.30190 c1ccc2cc(ncc2c1)CNC3CCSCC3 34a_100000748639_100009869231 [0,0,0,0,0,1|3,0,0]=4 1654 B20R3.30190 c1ccc2cc(ncc2c1)COC3CCCCC3 34a_100000210231_100009869231 [0,0,0,0,0,1|3,0,0]=4 1655 B20R3.30190 c1ccc2cc(ncc2c1)COC3CCCCC3 7a_100000210231_100009869231 [0,0,0,0,0,1|3,0,0]=4 1656 B20R3.30190 c1ccc2cc(ncc2c1)CSC3CCCCC3 62a_100000210327_100009869231 [0,0,0,0,0,1|3,0,0]=4 1657 B20R3.30190 c1ccc2cc(ncc2c1)CSC3CCCCC3 62a_100009869231_100000210327 [0,0,0,0,0,1|3,0,0]=4 1658 B20R3.30190 c1ccc2cc(ncc2c1)SCC3CCCCC3 62a_100000211423_100000047361 [0,0,0,0,0,1|2,0,0]=3 1659 B20R3.30190 c1ccc2cc(ncc2c1)SCC3CCCCC3 62a_100009816522_100000211423 [0,0,0,0,0,1|2,0,0]=3 1660 B20R3.30190 c1ccc2cc(ncc2c1)SCC3CCCCO3 62a_100000211543_100000047361 [0,0,0,0,0,1|3,0,0]=4 1661 B20R3.30190 c1ccc2cc(ncc2c1)SCC3CCCCO3 62a_100009816522_100000211543 [0,0,0,0,0,1|3,0,0]=4 1662 B20R3.30190 c1ccc2cc(ncc2c1)SCC3CCCOC3 62a_100000741521_100000047361 [0,0,0,0,0,1|3,0,0]=4 1663 B20R3.30190 c1ccc2cc(ncc2c1)SCC3CCCOC3 62a_100009816522_100000741521 [0,0,0,0,0,1|3,0,0]=4 1664 B20R3.30190 c1ccc2cc(ncc2c1)SCC3CCOCC3 62a_100000754603_100000047361 [0,0,0,0,0,1|3,0,0]=4 1665 B20R3.30190 c1ccc2cc(ncc2c1)SCC3CCOCC3 62a_100009816522_100000749018 [0,0,0,0,0,1|3,0,0]=4 1666 B20R3.30190 c1ccc2nc(ccc2c1)CNC3CCCCC3 207a_100000182618_100000759686 [0,0,0,0,0,1|2,0,0]=3 1667 B20R3.30190 c1ccc2nc(ccc2c1)CNC3CCCCC3 2230a_100000182618_100000737579 [0,0,0,0,0,1|2,0,0]=3 1668 B20R3.30190 c1ccc2nc(ccc2c1)CNC3CCCCC3 270004a_100000182618_100000759686 [0,0,0,0,0,1|2,0,0]=3 1669 B20R3.30190 c1ccc2nc(ccc2c1)CNC3CCCCC3 34a_100000182618_100000737579 [0,0,0,0,0,1|2,0,0]=3 1670 B20R3.30190 c1ccc2nc(ccc2c1)CNC3CCCOC3 207a_100000719290_100000759686 [0,0,0,0,0,1|3,0,0]=4 1671 B20R3.30190 c1ccc2nc(ccc2c1)CNC3CCCOC3 2230a_100000719290_100000737579 [0,0,0,0,0,1|3,0,0]=4 1672 B20R3.30190 c1ccc2nc(ccc2c1)CNC3CCCOC3 270004a_100000719290_100000759686 [0,0,0,0,0,1|3,0,0]=4 1673 B20R3.30190 c1ccc2nc(ccc2c1)CNC3CCCOC3 34a_100000719290_100000737579 [0,0,0,0,0,1|3,0,0]=4 1674 B20R3.30190 c1ccc2nc(ccc2c1)CNC3CCOCC3 207a_100000741149_100000759686 [0,0,0,0,0,1|3,0,0]=4 1675 B20R3.30190 c1ccc2nc(ccc2c1)CNC3CCOCC3 2230a_100000741149_100000737579 [0,0,0,0,0,1|3,0,0]=4 1676 B20R3.30190 c1ccc2nc(ccc2c1)CNC3CCOCC3 270004a_100000741149_100000759686 [0,0,0,0,0,1|3,0,0]=4 1677 B20R3.30190 c1ccc2nc(ccc2c1)CNC3CCOCC3 34a_100000741149_100000737579 [0,0,0,0,0,1|3,0,0]=4 1678 B20R3.30190 c1ccc2nc(ccc2c1)CNC3CCSCC3 207a_100000748639_100000759686 [0,0,0,0,0,1|3,0,0]=4 1679 B20R3.30190 c1ccc2nc(ccc2c1)CNC3CCSCC3 2230a_100000748639_100000737579 [0,0,0,0,0,1|3,0,0]=4 1680 B20R3.30190 c1ccc2nc(ccc2c1)CNC3CCSCC3 270004a_100000748639_100000759686 [0,0,0,0,0,1|3,0,0]=4 1681 B20R3.30190 c1ccc2nc(ccc2c1)CNC3CCSCC3 34a_100000748639_100000737579 [0,0,0,0,0,1|3,0,0]=4 1682 B20R3.30190 c1ccc2nc(ccc2c1)COC3CCCCC3 34a_100000210231_100000737579 [0,0,0,0,0,1|3,0,0]=4 1683 B20R3.30190 c1ccc2nc(ccc2c1)COC3CCCCC3 7a_100000210231_100000737579 [0,0,0,0,0,1|3,0,0]=4 1684 B20R3.30190 c1ccc2nc(ccc2c1)CSC3CCCCC3 62a_100000210327_100000737579 [0,0,0,0,0,1|3,0,0]=4 1685 B20R3.30190 c1ccc2nc(ccc2c1)CSC3CCCCC3 62a_100000737579_100000210327 [0,0,0,0,0,1|3,0,0]=4 1686 B20R3.30190 c1ccc2nc(ccc2c1)NCC3CCCCC3 27a_100000210473_100011291633 [0,0,0,0,0,1|3,0,0]=4 1687 B20R3.30190 c1ccc2nc(ccc2c1)SCC3CCCCC3 62a_100000211423_100011291633 [0,0,0,0,0,1|2,0,0]=3 1688 B20R3.30190 c1ccc2nc(ccc2c1)SCC3CCCCC3 62a_100011291633_100000211423 [0,0,0,0,0,1|2,0,0]=3 1689 B20R3.30190 c1ccc2nc(ccc2c1)SCC3CCCCO3 62a_100000211543_100011291633 [0,0,0,0,0,1|3,0,0]=4 1690 B20R3.30190 c1ccc2nc(ccc2c1)SCC3CCCCO3 62a_100011291633_100000211543 [0,0,0,0,0,1|3,0,0]=4 1691 B20R3.30190 c1ccc2nc(ccc2c1)SCC3CCCOC3 62a_100000741521_100011291633 [0,0,0,0,0,1|3,0,0]=4 1692 B20R3.30190 c1ccc2nc(ccc2c1)SCC3CCCOC3 62a_100011291633_100000741521 [0,0,0,0,0,1|3,0,0]=4 1693 B20R3.30190 c1ccc2nc(ccc2c1)SCC3CCOCC3 62a_100000754603_100011291633 [0,0,0,0,0,1|3,0,0]=4 1694 B20R3.30190 c1ccc2nc(ccc2c1)SCC3CCOCC3 62a_100011291633_100000749018 [0,0,0,0,0,1|3,0,0]=4 1695 B20R3.30190 c1ccc2nc(cnc2c1)CNC3CCCCC3 270004a_100000182618_100000204677 [0,0,0,0,0,1|2,0,0]=3 1696 B20R3.30190 c1ccc2nc(cnc2c1)CNC3CCCOC3 270004a_100000719290_100000204677 [0,0,0,0,0,1|3,0,0]=4 1697 B20R3.30190 c1ccc2nc(cnc2c1)CNC3CCOCC3 270004a_100000741149_100000204677 [0,0,0,0,0,1|3,0,0]=4 1698 B20R3.30190 c1ccc2nc(cnc2c1)CNC3CCSCC3 270004a_100000748639_100000204677 [0,0,0,0,0,1|3,0,0]=4 1699 B20R3.30190 c1ccc2nc(cnc2c1)COC3CCCCC3 7a_100000210231_200000751123 [0,0,0,0,0,1|3,0,0]=4 1700 B20R3.30190 c1ccc2nc(cnc2c1)CSC3CCCCC3 62a_100000210327_200000751123 [0,0,0,0,0,1|3,0,0]=4 1701 B20R3.30190 c1ccc2nc(cnc2c1)CSC3CCCCC3 62a_200000751123_100000210327 [0,0,0,0,0,1|3,0,0]=4 1702 B20R3.30190 c1ccc2nc(cnc2c1)NCC3CCCCC3 27a_100000210473_100000756483 [0,0,0,0,0,1|3,0,0]=4 1703 B20R3.30190 c1ccc2nc(cnc2c1)SCC3CCCCC3 62a_100000211423_100000756483 [0,0,0,0,0,1|2,0,0]=3 1704 B20R3.30190 c1ccc2nc(cnc2c1)SCC3CCCCC3 62a_100000756483_100000211423 [0,0,0,0,0,1|2,0,0]=3 1705 B20R3.30190 c1ccc2nc(cnc2c1)SCC3CCCCO3 62a_100000211543_100000756483 [0,0,0,0,0,1|3,0,0]=4 1706 B20R3.30190 c1ccc2nc(cnc2c1)SCC3CCCCO3 62a_100000756483_100000211543 [0,0,0,0,0,1|3,0,0]=4 1707 B20R3.30190 c1ccc2nc(cnc2c1)SCC3CCCOC3 62a_100000741521_100000756483 [0,0,0,0,0,1|3,0,0]=4 1708 B20R3.30190 c1ccc2nc(cnc2c1)SCC3CCCOC3 62a_100000756483_100000741521 [0,0,0,0,0,1|3,0,0]=4 1709 B20R3.30190 c1ccc2nc(cnc2c1)SCC3CCOCC3 62a_100000754603_100000756483 [0,0,0,0,0,1|3,0,0]=4 1710 B20R3.30190 c1ccc2nc(cnc2c1)SCC3CCOCC3 62a_100000756483_100000749018 [0,0,0,0,0,1|3,0,0]=4 1711 B20R3.30190 c1ccc2nc(ncc2c1)CNC3CCCCC3 34a_100000182618_100009868571 [0,0,0,0,0,1|2,0,0]=3 1712 B20R3.30190 c1ccc2nc(ncc2c1)CNC3CCCOC3 34a_100000719290_100009868571 [0,0,0,0,0,1|3,0,0]=4 1713 B20R3.30190 c1ccc2nc(ncc2c1)CNC3CCOCC3 34a_100000741149_100009868571 [0,0,0,0,0,1|3,0,0]=4 1714 B20R3.30190 c1ccc2nc(ncc2c1)CNC3CCSCC3 34a_100000748639_100009868571 [0,0,0,0,0,1|3,0,0]=4 1715 B20R3.30190 c1ccc2nc(ncc2c1)COC3CCCCC3 34a_100000210231_100009868571 [0,0,0,0,0,1|3,0,0]=4 1716 B20R3.30190 c1ccc2nc(ncc2c1)COC3CCCCC3 7a_100000210231_100009868571 [0,0,0,0,0,1|3,0,0]=4 1717 B20R3.30190 c1ccc2nc(ncc2c1)CSC3CCCCC3 62a_100000210327_100009868571 [0,0,0,0,0,1|3,0,0]=4 1718 B20R3.30190 c1ccc2nc(ncc2c1)CSC3CCCCC3 62a_100009868571_100000210327 [0,0,0,0,0,1|3,0,0]=4 1719 B20R3.30190 c1ccc2nc(ncc2c1)NCC3CCCCC3 27a_100000210473_100000097389 [0,0,0,0,0,1|3,0,0]=4 1720 B20R3.30190 c1ccc2nc(ncc2c1)SCC3CCCCC3 62a_100000211423_100000097389 [0,0,0,0,0,1|2,0,0]=3 1721 B20R3.30190 c1ccc2nc(ncc2c1)SCC3CCCCO3 62a_100000211543_100000097389 [0,0,0,0,0,1|3,0,0]=4 1722 B20R3.30190 c1ccc2nc(ncc2c1)SCC3CCCOC3 62a_100000741521_100000097389 [0,0,0,0,0,1|3,0,0]=4 1723 B20R3.30190 c1ccc2nc(ncc2c1)SCC3CCOCC3 62a_100000754603_100000097389 [0,0,0,0,0,1|3,0,0]=4 1724 B20R3.30190 c1ccc2ncc(cc2c1)CNC3CCCCC3 207a_100000182618_100000750898 [0,0,0,0,0,1|2,0,0]=3 1725 B20R3.30190 c1ccc2ncc(cc2c1)CNC3CCCCC3 270004a_100000182618_100000750898 [0,0,0,0,0,1|2,0,0]=3 1726 B20R3.30190 c1ccc2ncc(cc2c1)CNC3CCCCC3 270004a_100000742225_100000210434 [0,0,0,0,0,1|2,0,0]=3 1727 B20R3.30190 c1ccc2ncc(cc2c1)CNC3CCCCC3 34a_100000742225_100000210327 [0,0,0,0,0,1|2,0,0]=3 1728 B20R3.30190 c1ccc2ncc(cc2c1)CNC3CCCOC3 207a_100000719290_100000750898 [0,0,0,0,0,1|3,0,0]=4 1729 B20R3.30190 c1ccc2ncc(cc2c1)CNC3CCCOC3 270004a_100000719290_100000750898 [0,0,0,0,0,1|3,0,0]=4 1730 B20R3.30190 c1ccc2ncc(cc2c1)CNC3CCCOC3 270004a_100000742225_100000753404 [0,0,0,0,0,1|3,0,0]=4 1731 B20R3.30190 c1ccc2ncc(cc2c1)CNC3CCCOC3 34a_100000742225_100000693364 [0,0,0,0,0,1|3,0,0]=4 1732 B20R3.30190 c1ccc2ncc(cc2c1)CNC3CCCSC3 270004a_100000742225_100000057913 [0,0,0,0,0,1|3,0,0]=4 1733 B20R3.30190 c1ccc2ncc(cc2c1)CNC3CCNCC3 270004a_100000742225_100015192401 [0,0,0,0,0,1|3,0,0]=4 1734 B20R3.30190 c1ccc2ncc(cc2c1)CNC3CCOCC3 207a_100000741149_100000750898 [0,0,0,0,0,1|3,0,0]=4 1735 B20R3.30190 c1ccc2ncc(cc2c1)CNC3CCOCC3 270004a_100000741149_100000750898 [0,0,0,0,0,1|3,0,0]=4 1736 B20R3.30190 c1ccc2ncc(cc2c1)CNC3CCOCC3 270004a_100000742225_100011217826 [0,0,0,0,0,1|3,0,0]=4 1737 B20R3.30190 c1ccc2ncc(cc2c1)CNC3CCSCC3 207a_100000748639_100000750898 [0,0,0,0,0,1|3,0,0]=4 1738 B20R3.30190 c1ccc2ncc(cc2c1)CNC3CCSCC3 270004a_100000742225_100000203788 [0,0,0,0,0,1|3,0,0]=4 1739 B20R3.30190 c1ccc2ncc(cc2c1)CNC3CCSCC3 270004a_100000748639_100000750898 [0,0,0,0,0,1|3,0,0]=4 1740 B20R3.30190 c1ccc2ncc(cc2c1)CNC3CCSCC3 34a_100000742225_100000069128 [0,0,0,0,0,1|3,0,0]=4 1741 B20R3.30190 c1ccc2ncc(cc2c1)COC3CCCCC3 34a_100011258773_100000210327 [0,0,0,0,0,1|3,0,0]=4 1742 B20R3.30190 c1ccc2ncc(cc2c1)OCC3CCCCC3 34a_100011934006_100000211423 [0,0,0,0,0,1|2,1,0]=4 1743 B20R3.30190 c1ccc2ncc(cc2c1)OCC3CCCCC3 7a_100011934006_100000211423 [0,0,0,0,0,1|2,1,0]=4 1744 B20R3.30190 c1ccc2ncc(cc2c1)SCC3CCCCC3 62a_100000211423_100000737414 [0,0,0,0,0,1|2,0,0]=3 1745 B20R3.30190 c1ccc2ncc(cc2c1)SCC3CCCCO3 62a_100000211543_100000737414 [0,0,0,0,0,1|3,0,0]=4 1746 B20R3.30190 c1ccc2ncc(cc2c1)SCC3CCCOC3 62a_100000741521_100000737414 [0,0,0,0,0,1|3,0,0]=4 1747 B20R3.30190 c1ccc2ncc(cc2c1)SCC3CCOCC3 62a_100000754603_100000737414 [0,0,0,0,0,1|3,0,0]=4 1748 B20R3.30190 c1cnc2cc(cnc2c1)SCC3CCCCC3 62a_100000211423_100010246316 [0,0,0,0,0,1|3,0,0]=4 1749 B20R3.30190 c1cnc2cc(cnc2c1)SCC3CCCCC3 62a_100010246316_100000211423 [0,0,0,0,0,1|3,0,0]=4 1750 B20R3.30190 c1cnc2ccc(nc2c1)SCC3CCCCC3 62a_100000211423_100000073381 [0,0,0,0,0,1|3,0,0]=4 1751 B20R3.30190 c1cnc2nc(ccc2c1)SCC3CCCCC3 62a_100000075685_100000211423 [0,0,0,0,0,1|3,0,0]=4 1752 B20R3.30190 c1cnc2nc(ccc2c1)SCC3CCCCC3 62a_100000211423_100000075685 [0,0,0,0,0,1|3,0,0]=4 1753 B20R3.30190 c1cnc2nc(cnc2c1)SCC3CCCCC3 62a_100000211423_200010275043 [0,0,0,0,0,1|3,0,0]=4 1754 B20R3.30190 c1cnc2nc(cnc2c1)SCC3CCCCC3 62a_200010275043_100000211423 [0,0,0,0,0,1|3,0,0]=4 1755 B20R3.30190 c1cnc2nc(ncc2c1)SCC3CCCCC3 62a_100000211423_100009875485 [0,0,0,0,0,1|3,0,0]=4 1756 B20R3.30190 c1cnc2nc(ncc2c1)SCC3CCCCC3 62a_100009875485_100000211423 [0,0,0,0,0,1|3,0,0]=4 1757 B20R3.30190 c1cnc2ncc(nc2c1)SCC3CCCCC3 62a_100000084304_100000211423 [0,0,0,0,0,1|3,0,0]=4 1758 B20R3.30190 c1cnc2ncc(nc2c1)SCC3CCCCC3 62a_100000211423_100000084304 [0,0,0,0,0,1|3,0,0]=4 1759 B20R3.30260 C(=NNC1CCCCC1)c2cc3ccccc3[nH]2 4a_100000709804_100000051030 [0,0,0,0,0,1|2,0,1]=4 1760 B20R3.30260 C(=NNC1CCCCC1)c2cc3ccccc3o2 4a_100000709804_100000229944 [0,0,0,0,0,1|2,1,0]=4 1761 B20R3.30260 C(=NNC1CCCCC1)c2cc3ccccc3s2 4a_100000709804_100000686906 [0,0,0,0,0,1|2,0,0]=3 1762 B20R3.30260 C(=NNC1CCCCC1)c2cc3cccnc3s2 4a_100000709804_100000050461 [0,0,0,0,0,1|3,0,0]=4 1763 B20R3.30260 C(=NNC1CCCCC1)c2cc3cnccc3s2 4a_100000709804_100000054438 [0,0,0,0,0,1|3,0,0]=4 1764 B20R3.30260 C(=NNC1CCCCC1)c2cn3ccccc3n2 4a_100000709804_100000743146 [0,0,0,0,0,1|3,0,0]=4 1765 B20R3.30260 C(=NNC1CCCCC1)c2nc3ccccc3[nH]2 4a_100000709804_100000185668 [0,0,0,0,0,1|2,0,0]=3 1766 B20R3.30260 C(=NNC1CCCCC1)c2nc3ccccc3s2 4a_100000709804_100011204187 [0,0,0,0,0,1|1,0,0]=2 1767 B20R3.30260 C(=NNC1CCOCC1)c2cc3ccccc3s2 4a_100000687383_100000686906 [0,0,0,0,0,1|3,0,0]=4 1768 B20R3.30260 C(=NNC1CCOCC1)c2nc3ccccc3[nH]2 4a_100000687383_100000185668 [0,0,0,0,0,1|3,0,0]=4 1769 B20R3.30260 C(=NNC1CCOCC1)c2nc3ccccc3s2 4a_100000687383_100011204187 [0,0,0,0,0,1|2,0,0]=3 1770 B20R3.30260 C(=NNc1nc2ccccc2[nH]1)C3CCCCC3 4a_100000188875_100000211278 [0,0,0,0,0,1|2,0,1]=4 1771 B20R3.30260 C(=NNc1nc2ccccc2o1)C3CCCCC3 4a_100000182307_100000211278 [0,0,0,0,0,1|1,1,1]=4 1772 B20R3.30260 C(=NNc1nc2ccccc2s1)C3CCCCC3 4a_100000181811_100000211278 [0,0,0,0,0,1|1,0,1]=3 1773 B20R3.30260 C(=NNc1nc2ccccc2s1)C3CCCOC3 4a_100000181811_100000753300 [0,0,0,0,0,1|2,0,1]=4 1774 B20R3.30260 C(=NNc1nc2ccccc2s1)C3CCOCC3 4a_100000181811_100000749017 [0,0,0,0,0,1|2,0,1]=4 1775 B20R3.30260 C(=NNc1nc2ccccc2s1)C3CCSCC3 4a_100000181811_100000067145 [0,0,0,0,0,1|2,0,1]=4 1776 B20R3.30260 c1cc2sc(cc2cn1)CNCC3CCCCC3 207a_100000210473_100000054438 [0,0,0,0,0,1|3,0,0]=4 1777 B20R3.30260 c1cc2sc(cc2cn1)CNCC3CCCCC3 270004a_100000210473_100000054438 [0,0,0,0,0,1|3,0,0]=4 1778 B20R3.30260 c1ccc2[nH]c(cc2c1)CNCC3CCCCC3 270004a_100000210473_100000051030 [0,0,0,0,0,1|2,0,1]=4 1779 B20R3.30260 c1ccc2[nH]c(cc2c1)SCOC3CCCCC3 62a_100011935260_100010232065 [0,0,0,0,0,1|2,0,1]=4 1780 B20R3.30260 c1ccc2[nH]c(nc2c1)CCNC3CCCCC3 270004a_100015184290_100000210434 [0,0,0,0,0,1|2,0,0]=3 1781 B20R3.30260 c1ccc2[nH]c(nc2c1)CCNC3CCCOC3 270004a_100015184290_100000753404 [0,0,0,0,0,1|3,0,0]=4 1782 B20R3.30260 c1ccc2[nH]c(nc2c1)CCNC3CCCSC3 270004a_100015184290_100000057913 [0,0,0,0,0,1|3,0,0]=4 1783 B20R3.30260 c1ccc2[nH]c(nc2c1)CCNC3CCNCC3 270004a_100015184290_100015192401 [0,0,0,0,0,1|3,0,0]=4 1784 B20R3.30260 c1ccc2[nH]c(nc2c1)CCNC3CCOCC3 270004a_100015184290_100011217826 [0,0,0,0,0,1|3,0,0]=4 1785 B20R3.30260 c1ccc2[nH]c(nc2c1)CCNC3CCSCC3 270004a_100015184290_100000203788 [0,0,0,0,0,1|3,0,0]=4 1786 B20R3.30260 c1ccc2[nH]c(nc2c1)CCOC3CCCCC3 7a_100000210231_100015206048 [0,0,0,0,0,1|3,0,0]=4 1787 B20R3.30260 c1ccc2[nH]c(nc2c1)CCSC3CCCCC3 62a_100000210327_100015206048 [0,0,0,0,0,1|3,0,0]=4 1788 B20R3.30260 c1ccc2[nH]c(nc2c1)CNCC3CCCCC3 207a_100000210473_100000185668 [0,0,0,0,0,1|2,0,0]=3 1789 B20R3.30260 c1ccc2[nH]c(nc2c1)CNCC3CCCCC3 2230a_100000210473_100000737899 [0,0,0,0,0,1|2,0,0]=3 1790 B20R3.30260 c1ccc2[nH]c(nc2c1)CNCC3CCCCC3 270004a_100000210473_100000185668 [0,0,0,0,0,1|2,0,0]=3 1791 B20R3.30260 c1ccc2[nH]c(nc2c1)CNCC3CCCCO3 207a_100000174945_100000185668 [0,0,0,0,0,1|3,0,0]=4 1792 B20R3.30260 c1ccc2[nH]c(nc2c1)CNCC3CCCCO3 2230a_100000174945_100000737899 [0,0,0,0,0,1|3,0,0]=4 1793 B20R3.30260 c1ccc2[nH]c(nc2c1)CNCC3CCCCO3 270004a_100000174945_100000185668 [0,0,0,0,0,1|3,0,0]=4 1794 B20R3.30260 c1ccc2[nH]c(nc2c1)CNCC3CCCOC3 207a_100000720124_100000185668 [0,0,0,0,0,1|3,0,0]=4 1795 B20R3.30260 c1ccc2[nH]c(nc2c1)CNCC3CCCOC3 2230a_100000720124_100000737899 [0,0,0,0,0,1|3,0,0]=4 1796 B20R3.30260 c1ccc2[nH]c(nc2c1)CNCC3CCCOC3 270004a_100000720124_100000185668 [0,0,0,0,0,1|3,0,0]=4 1797 B20R3.30260 c1ccc2[nH]c(nc2c1)CNCC3CCOCC3 207a_100000746373_100000185668 [0,0,0,0,0,1|3,0,0]=4 1798 B20R3.30260 c1ccc2[nH]c(nc2c1)CNCC3CCOCC3 2230a_100000746373_100000737899 [0,0,0,0,0,1|3,0,0]=4 1799 B20R3.30260 c1ccc2[nH]c(nc2c1)CNCC3CCOCC3 270004a_100000746373_100000185668 [0,0,0,0,0,1|3,0,0]=4 1800 B20R3.30260 c1ccc2[nH]c(nc2c1)CNCC3CCSCC3 207a_100015188806_100000185668 [0,0,0,0,0,1|3,0,0]=4 1801 B20R3.30260 c1ccc2[nH]c(nc2c1)CNCC3CCSCC3 2230a_100015188806_100000737899 [0,0,0,0,0,1|3,0,0]=4 1802 B20R3.30260 c1ccc2[nH]c(nc2c1)CNCC3CCSCC3 270004a_100000729406_100000067145 [0,0,0,0,0,1|3,0,0]=4 1803 B20R3.30260 c1ccc2[nH]c(nc2c1)CNCC3CCSCC3 270004a_100015188806_100000185668 [0,0,0,0,0,1|3,0,0]=4 1804 B20R3.30260 c1ccc2[nH]c(nc2c1)COCC3CCCCC3 7a_100000212181_100000737899 [0,0,0,0,0,1|2,1,0]=4 1805 B20R3.30260 c1ccc2[nH]c(nc2c1)CSCC3CCCCC3 62a_100000211423_100000737899 [0,0,0,0,0,1|2,0,0]=3 1806 B20R3.30260 c1ccc2[nH]c(nc2c1)CSCC3CCCCO3 62a_100000211543_100000737899 [0,0,0,0,0,1|3,0,0]=4 1807 B20R3.30260 c1ccc2[nH]c(nc2c1)CSCC3CCCOC3 62a_100000741521_100000737899 [0,0,0,0,0,1|3,0,0]=4 1808 B20R3.30260 c1ccc2[nH]c(nc2c1)CSCC3CCOCC3 62a_100000754603_100000737899 [0,0,0,0,0,1|3,0,0]=4 1809 B20R3.30260 c1ccc2[nH]c(nc2c1)NCCC3CCCCC3 27a_100000738074_100009814255 [0,0,0,0,0,1|3,0,0]=4 1810 B20R3.30260 c1ccc2[nH]c(nc2c1)SCCC3CCCCC3 62a_100012355289_100009814255 [0,0,0,0,0,1|2,0,0]=3 1811 B20R3.30260 c1ccc2[nH]c(nc2c1)SCCC3CCOCC3 62a_100011934994_100009814255 [0,0,0,0,0,1|3,0,0]=4 1812 B20R3.30260 c1ccc2[nH]c(nc2c1)SCCN3CCCCC3 62a_100000739454_100009814255 [0,0,0,0,0,1|3,0,0]=4 1813 B20R3.30260 c1ccc2[nH]c(nc2c1)SCOC3CCCCC3 62a_100011935260_100009814255 [0,0,0,0,0,1|2,0,0]=3 1814 B20R3.30260 c1ccc2c(c1)CC(=NNCC3CCCCC3)C2 4a_100000740227_100000211675 [0,0,0,0,0,1|3,0,0]=4 1815 B20R3.30260 c1ccc2nn(nc2c1)CCNC3CCCCC3 270004a_100000090509_100000210434 [0,0,0,0,0,1|3,0,0]=4 1816 B20R3.30260 c1ccc2oc(cc2c1)CNCC3CCCCC3 207a_100000210473_100000229944 [0,0,0,0,0,1|2,1,0]=4 1817 B20R3.30260 c1ccc2oc(cc2c1)CNCC3CCCCC3 269862a_100011220112_100000211278 [0,0,0,0,0,1|2,1,0]=4 1818 B20R3.30260 c1ccc2oc(cc2c1)CNCC3CCCCC3 270004a_100000210473_100000229944 [0,0,0,0,0,1|2,1,0]=4 1819 B20R3.30260 c1ccc2oc(cc2c1)SCOC3CCCCC3 62a_100011935260_100010159458 [0,0,0,0,0,1|2,1,0]=4 1820 B20R3.30260 c1ccc2oc(nc2c1)CNCC3CCCCC3 2230a_100000210473_100000195508 [0,0,0,0,0,1|1,1,0]=3 1821 B20R3.30260 c1ccc2oc(nc2c1)CNCC3CCCCC3 34a_100000210473_200012361514 [0,0,0,0,0,1|1,1,0]=3 1822 B20R3.30260 c1ccc2oc(nc2c1)CNCC3CCCCO3 2230a_100000174945_100000195508 [0,0,0,0,0,1|2,1,0]=4 1823 B20R3.30260 c1ccc2oc(nc2c1)CNCC3CCCCO3 34a_100000174945_200012361514 [0,0,0,0,0,1|2,1,0]=4 1824 B20R3.30260 c1ccc2oc(nc2c1)CNCC3CCCOC3 2230a_100000720124_100000195508 [0,0,0,0,0,1|2,1,0]=4 1825 B20R3.30260 c1ccc2oc(nc2c1)CNCC3CCCOC3 34a_100000720124_200012361514 [0,0,0,0,0,1|2,1,0]=4 1826 B20R3.30260 c1ccc2oc(nc2c1)CNCC3CCOCC3 2230a_100000746373_100000195508 [0,0,0,0,0,1|2,1,0]=4 1827 B20R3.30260 c1ccc2oc(nc2c1)CNCC3CCOCC3 34a_100000746373_200012361514 [0,0,0,0,0,1|2,1,0]=4 1828 B20R3.30260 c1ccc2oc(nc2c1)CNCC3CCSCC3 2230a_100015188806_100000195508 [0,0,0,0,0,1|2,1,0]=4 1829 B20R3.30260 c1ccc2oc(nc2c1)CNCC3CCSCC3 270004a_100000733820_100000067145 [0,0,0,0,0,1|2,1,0]=4 1830 B20R3.30260 c1ccc2oc(nc2c1)CNCC3CCSCC3 34a_100015188806_200012361514 [0,0,0,0,0,1|2,1,0]=4 1831 B20R3.30260 c1ccc2oc(nc2c1)COCC3CCCCC3 34a_100000212181_200012361514 [0,0,0,0,0,1|1,2,0]=4 1832 B20R3.30260 c1ccc2oc(nc2c1)COCC3CCCCC3 7a_100000212181_100000195508 [0,0,0,0,0,1|1,2,0]=4 1833 B20R3.30260 c1ccc2oc(nc2c1)CSCC3CCCCC3 62a_100000211423_100000195508 [0,0,0,0,0,1|1,1,0]=3 1834 B20R3.30260 c1ccc2oc(nc2c1)CSCC3CCCCO3 62a_100000211543_100000195508 [0,0,0,0,0,1|2,1,0]=4 1835 B20R3.30260 c1ccc2oc(nc2c1)CSCC3CCCOC3 62a_100000741521_100000195508 [0,0,0,0,0,1|2,1,0]=4 1836 B20R3.30260 c1ccc2oc(nc2c1)CSCC3CCOCC3 62a_100000754603_100000195508 [0,0,0,0,0,1|2,1,0]=4 1837 B20R3.30260 c1ccc2sc(cc2c1)CNCC3CCCCC3 207a_100000210473_100000686906 [0,0,0,0,0,1|2,0,0]=3 1838 B20R3.30260 c1ccc2sc(cc2c1)CNCC3CCCCC3 2230a_100015187092_100000211423 [0,0,0,0,0,1|2,0,0]=3 1839 B20R3.30260 c1ccc2sc(cc2c1)CNCC3CCCCC3 269862a_100015187092_100000211278 [0,0,0,0,0,1|2,0,0]=3 1840 B20R3.30260 c1ccc2sc(cc2c1)CNCC3CCCCC3 270004a_100000210473_100000686906 [0,0,0,0,0,1|2,0,0]=3 1841 B20R3.30260 c1ccc2sc(cc2c1)CNCC3CCCCO3 207a_100000174945_100000686906 [0,0,0,0,0,1|3,0,0]=4 1842 B20R3.30260 c1ccc2sc(cc2c1)CNCC3CCCCO3 2230a_100015187092_100000211543 [0,0,0,0,0,1|3,0,0]=4 1843 B20R3.30260 c1ccc2sc(cc2c1)CNCC3CCCCO3 270004a_100000174945_100000686906 [0,0,0,0,0,1|3,0,0]=4 1844 B20R3.30260 c1ccc2sc(cc2c1)CNCC3CCCOC3 207a_100000720124_100000686906 [0,0,0,0,0,1|3,0,0]=4 1845 B20R3.30260 c1ccc2sc(cc2c1)CNCC3CCCOC3 2230a_100015187092_100000741521 [0,0,0,0,0,1|3,0,0]=4 1846 B20R3.30260 c1ccc2sc(cc2c1)CNCC3CCCOC3 270004a_100000720124_100000686906 [0,0,0,0,0,1|3,0,0]=4 1847 B20R3.30260 c1ccc2sc(cc2c1)CNCC3CCOCC3 207a_100000746373_100000686906 [0,0,0,0,0,1|3,0,0]=4 1848 B20R3.30260 c1ccc2sc(cc2c1)CNCC3CCOCC3 2230a_100015187092_100000754603 [0,0,0,0,0,1|3,0,0]=4 1849 B20R3.30260 c1ccc2sc(cc2c1)CNCC3CCOCC3 269862a_100015187092_100000749017 [0,0,0,0,0,1|3,0,0]=4 1850 B20R3.30260 c1ccc2sc(cc2c1)CNCC3CCOCC3 270004a_100000746373_100000686906 [0,0,0,0,0,1|3,0,0]=4 1851 B20R3.30260 c1ccc2sc(cc2c1)CNCC3CCSCC3 207a_100015188806_100000686906 [0,0,0,0,0,1|3,0,0]=4 1852 B20R3.30260 c1ccc2sc(cc2c1)CNCC3CCSCC3 269862a_100015187092_100000067145 [0,0,0,0,0,1|3,0,0]=4 1853 B20R3.30260 c1ccc2sc(cc2c1)CNCC3CCSCC3 270004a_100015187092_100000067145 [0,0,0,0,0,1|3,0,0]=4 1854 B20R3.30260 c1ccc2sc(cc2c1)CNCC3CCSCC3 270004a_100015188806_100000686906 [0,0,0,0,0,1|3,0,0]=4 1855 B20R3.30260 c1ccc2sc(cc2c1)SCCC3CCOCC3 62a_100011934994_100009816949 [0,0,0,0,0,1|3,0,0]=4 1856 B20R3.30260 c1ccc2sc(cc2c1)SCCN3CCCCC3 62a_100000739454_100009816949 [0,0,0,0,0,1|3,0,0]=4 1857 B20R3.30260 c1ccc2sc(nc2c1)CCNC3CCCCC3 270004a_200000203819_100000210434 [0,0,0,0,0,1|1,0,0]=2 1858 B20R3.30260 c1ccc2sc(nc2c1)CCNC3CCCOC3 270004a_200000203819_100000753404 [0,0,0,0,0,1|2,0,0]=3 1859 B20R3.30260 c1ccc2sc(nc2c1)CCNC3CCCSC3 270004a_200000203819_100000057913 [0,0,0,0,0,1|2,0,0]=3 1860 B20R3.30260 c1ccc2sc(nc2c1)CCNC3CCNCC3 270004a_200000203819_100015192401 [0,0,0,0,0,1|2,0,0]=3 1861 B20R3.30260 c1ccc2sc(nc2c1)CCNC3CCOCC3 270004a_200000203819_100011217826 [0,0,0,0,0,1|2,0,0]=3 1862 B20R3.30260 c1ccc2sc(nc2c1)CCNC3CCSCC3 270004a_200000203819_100000203788 [0,0,0,0,0,1|2,0,0]=3 1863 B20R3.30260 c1ccc2sc(nc2c1)CNCC3CCCCC3 2230a_100000210473_100000766747 [0,0,0,0,0,1|1,0,0]=2 1864 B20R3.30260 c1ccc2sc(nc2c1)CNCC3CCCCC3 270004a_100000210473_100011204187 [0,0,0,0,0,1|1,0,0]=2 1865 B20R3.30260 c1ccc2sc(nc2c1)CNCC3CCCCC3 34a_100000210473_100011217541 [0,0,0,0,0,1|1,0,0]=2 1866 B20R3.30260 c1ccc2sc(nc2c1)CNCC3CCCCO3 2230a_100000174945_100000766747 [0,0,0,0,0,1|2,0,0]=3 1867 B20R3.30260 c1ccc2sc(nc2c1)CNCC3CCCCO3 270004a_100000174945_100011204187 [0,0,0,0,0,1|2,0,0]=3 1868 B20R3.30260 c1ccc2sc(nc2c1)CNCC3CCCCO3 34a_100000174945_100011217541 [0,0,0,0,0,1|2,0,0]=3 1869 B20R3.30260 c1ccc2sc(nc2c1)CNCC3CCCOC3 2230a_100000720124_100000766747 [0,0,0,0,0,1|2,0,0]=3 1870 B20R3.30260 c1ccc2sc(nc2c1)CNCC3CCCOC3 270004a_100000720124_100011204187 [0,0,0,0,0,1|2,0,0]=3 1871 B20R3.30260 c1ccc2sc(nc2c1)CNCC3CCCOC3 34a_100000720124_100011217541 [0,0,0,0,0,1|2,0,0]=3 1872 B20R3.30260 c1ccc2sc(nc2c1)CNCC3CCOCC3 2230a_100000746373_100000766747 [0,0,0,0,0,1|2,0,0]=3 1873 B20R3.30260 c1ccc2sc(nc2c1)CNCC3CCOCC3 270004a_100000746373_100011204187 [0,0,0,0,0,1|2,0,0]=3 1874 B20R3.30260 c1ccc2sc(nc2c1)CNCC3CCOCC3 34a_100000746373_100011217541 [0,0,0,0,0,1|2,0,0]=3 1875 B20R3.30260 c1ccc2sc(nc2c1)CNCC3CCSCC3 2230a_100015188806_100000766747 [0,0,0,0,0,1|2,0,0]=3 1876 B20R3.30260 c1ccc2sc(nc2c1)CNCC3CCSCC3 270004a_100015188806_100011204187 [0,0,0,0,0,1|2,0,0]=3 1877 B20R3.30260 c1ccc2sc(nc2c1)CNCC3CCSCC3 34a_100015188806_100011217541 [0,0,0,0,0,1|2,0,0]=3 1878 B20R3.30260 c1ccc2sc(nc2c1)CNC[C@H]3COCCO3 2230a_100010981119_100000766747 [0,0,0,0,0,1|3,0,0]=4 1879 B20R3.30260 c1ccc2sc(nc2c1)CNC[C@H]3COCCO3 270004a_100010981119_100011204187 [0,0,0,0,0,1|3,0,0]=4 1880 B20R3.30260 c1ccc2sc(nc2c1)CNC[C@H]3COCCO3 34a_100010981119_100011217541 [0,0,0,0,0,1|3,0,0]=4 1881 B20R3.30260 c1ccc2sc(nc2c1)COCC3CCCCC3 34a_100000212181_100011217541 [0,0,0,0,0,1|1,1,0]=3 1882 B20R3.30260 c1ccc2sc(nc2c1)COCC3CCCCC3 7a_100000212181_100011217541 [0,0,0,0,0,1|1,1,0]=3 1883 B20R3.30260 c1ccc2sc(nc2c1)COCC3CCCCN3 34a_100000210821_100011217541 [0,0,0,0,0,1|2,1,0]=4 1884 B20R3.30260 c1ccc2sc(nc2c1)COCC3CCCCO3 34a_100000211370_100011217541 [0,0,0,0,0,1|2,1,0]=4 1885 B20R3.30260 c1ccc2sc(nc2c1)COCC3CCCCO3 7a_100000211370_100011217541 [0,0,0,0,0,1|2,1,0]=4 1886 B20R3.30260 c1ccc2sc(nc2c1)COCC3CCCNC3 34a_100000211344_100011217541 [0,0,0,0,0,1|2,1,0]=4 1887 B20R3.30260 c1ccc2sc(nc2c1)COCC3CCCOC3 34a_100000741520_100011217541 [0,0,0,0,0,1|2,1,0]=4 1888 B20R3.30260 c1ccc2sc(nc2c1)COCC3CCNCC3 34a_100000738675_100011217541 [0,0,0,0,0,1|2,1,0]=4 1889 B20R3.30260 c1ccc2sc(nc2c1)COCC3CCOCC3 34a_100000749013_100011217541 [0,0,0,0,0,1|2,1,0]=4 1890 B20R3.30260 c1ccc2sc(nc2c1)COCC3CCSCC3 34a_100000070558_100011217541 [0,0,0,0,0,1|2,1,0]=4 1891 B20R3.30260 c1ccc2sc(nc2c1)COCC3CCSCC3 7a_100000070558_100011217541 [0,0,0,0,0,1|2,1,0]=4 1892 B20R3.30260 c1ccc2sc(nc2c1)CSCC3CCCCO3 62a_100000211543_100000766747 [0,0,0,0,0,1|2,0,0]=3 1893 B20R3.30260 c1ccc2sc(nc2c1)CSCC3CCCCO3 62a_100011217541_100000211543 [0,0,0,0,0,1|2,0,0]=3 1894 B20R3.30260 c1ccc2sc(nc2c1)CSCC3CCCOC3 62a_100000741521_100000766747 [0,0,0,0,0,1|2,0,0]=3 1895 B20R3.30260 c1ccc2sc(nc2c1)CSCC3CCCOC3 62a_100011217541_100000741521 [0,0,0,0,0,1|2,0,0]=3 1896 B20R3.30260 c1ccc2sc(nc2c1)CSCC3CCOCC3 62a_100000754603_100000766747 [0,0,0,0,0,1|2,0,0]=3 1897 B20R3.30260 c1ccc2sc(nc2c1)CSCC3CCOCC3 62a_100011217541_100000749018 [0,0,0,0,0,1|2,0,0]=3 1898 B20R3.30260 c1ccc2sc(nc2c1)NCCC3CCCCC3 27a_100000738074_100000751744 [0,0,0,0,0,1|2,0,0]=3 1899 B20R3.30260 c1ccc2sc(nc2c1)NCCC3CCCCO3 27a_100015183643_100000751744 [0,0,0,0,0,1|3,0,0]=4 1900 B20R3.30260 c1ccc2sc(nc2c1)NCCC3CCOCC3 27a_100000755988_100000751744 [0,0,0,0,0,1|3,0,0]=4 1901 B20R3.30260 c1ccc2sc(nc2c1)NCCN3CCCCC3 27a_100000216509_100000751744 [0,0,0,0,0,1|3,0,0]=4 1902 B20R3.30260 c1ccc2sc(nc2c1)SCCC3CCOCC3 62a_100011934994_100000751744 [0,0,0,0,0,1|2,0,0]=3 1903 B20R3.30260 c1ccc2sc(nc2c1)SCCC3OCCCO3 62a_100000764188_100000751744 [0,0,0,0,0,1|3,0,0]=4 1904 B20R3.30260 c1ccc2sc(nc2c1)SCCN3CCCCC3 62a_100000739454_100000751744 [0,0,0,0,0,1|2,0,0]=3 1905 B20R3.30260 c1ccc2sc(nc2c1)SCOC3CCCCC3 62a_100011935260_100000751744 [0,0,0,0,0,1|1,0,0]=2 1906 B20R3.30260 c1ccn2cc(nc2c1)CCNC3CCCCC3 270004a_100000689867_100000210434 [0,0,0,0,0,1|3,0,0]=4 1907 B20R3.30260 c1ccn2cc(nc2c1)CNCC3CCCCC3 207a_100000210473_100000743146 [0,0,0,0,0,1|3,0,0]=4 1908 B20R3.30260 c1ccn2cc(nc2c1)CNCC3CCCCC3 2230a_100000210473_100000689847 [0,0,0,0,0,1|3,0,0]=4 1909 B20R3.30260 c1ccn2cc(nc2c1)CNCC3CCCCC3 269862a_100000195574_100000211278 [0,0,0,0,0,1|3,0,0]=4 1910 B20R3.30260 c1ccn2cc(nc2c1)CNCC3CCCCC3 34a_100000210473_100000689847 [0,0,0,0,0,1|3,0,0]=4 1911 B20R3.30260 c1ccn2cc(nc2c1)CSCC3CCCCC3 62a_100000211423_100000689847 [0,0,0,0,0,1|3,0,0]=4 1912 B20R3.30260 c1ccn2cc(nc2c1)CSCC3CCCCC3 62a_100000689847_100000211423 [0,0,0,0,0,1|3,0,0]=4 1913 B20R3.30260 c1ccn2cc(nc2c1)SCCC3CCCCC3 62a_100012355289_100009819586 [0,0,0,0,0,1|3,0,0]=4 1914 B20R3.30260 c1ccn2cc(nc2c1)SCOC3CCCCC3 62a_100011935260_100009819586 [0,0,0,0,0,1|3,0,0]=4 1915 B20R3.30260 c1cnc2[nH]c(nc2c1)CNCC3CCCCC3 2230a_100000210473_100011549802 [0,0,0,0,0,1|3,0,0]=4 1916 B20R3.30260 c1cnc2[nH]c(nc2c1)CSCC3CCCCC3 62a_100011549802_100000211423 [0,0,0,0,0,1|3,0,0]=4 1917 B20R3.30260 c1cnc2nc(oc2c1)CNCC3CCCCC3 2230a_100000210473_100000696355 [0,0,0,0,0,1|2,1,0]=4 1918 B20R3.30260 c1cnc2nc(oc2c1)CSCC3CCCCC3 62a_100000211423_100000696355 [0,0,0,0,0,1|2,1,0]=4 1919 B20R3.30260 c1cnc2sc(cc2c1)CNCC3CCCCC3 207a_100000210473_100000050461 [0,0,0,0,0,1|3,0,0]=4 1920 B20R3.30260 c1cnc2sc(cc2c1)CNCC3CCCCC3 270004a_100000210473_100000050461 [0,0,0,0,0,1|3,0,0]=4 1921 B20R3.30260 c1cnc2sc(nc2c1)NCCC3CCCCC3 27a_100000738074_100010188088 [0,0,0,0,0,1|3,0,0]=4 1922 B20R3.30260 c1cnc2sc(nc2c1)SCCC3CCCCC3 62a_100010188088_100012355289 [0,0,0,0,0,1|2,0,0]=3 1923 B20R3.30260 c1cnc2sc(nc2c1)SCCC3CCCCC3 62a_100012355289_100010188088 [0,0,0,0,0,1|2,0,0]=3 1924 B20R3.30260 c1cnc2sc(nc2c1)SCCC3CCOCC3 62a_100010188088_100011934994 [0,0,0,0,0,1|3,0,0]=4 1925 B20R3.30260 c1cnc2sc(nc2c1)SCCC3CCOCC3 62a_100011934994_100010188088 [0,0,0,0,0,1|3,0,0]=4 1926 B20R3.30260 c1cnc2sc(nc2c1)SCCN3CCCCC3 62a_100000739454_100010188088 [0,0,0,0,0,1|3,0,0]=4 1927 B20R3.30260 c1cnc2sc(nc2c1)SCCN3CCCCC3 62a_100010188088_100000739454 [0,0,0,0,0,1|3,0,0]=4 1928 B20R3.30260 c1cnc2sc(nc2c1)SCOC3CCCCC3 62a_100010188088_100011935260 [0,0,0,0,0,1|2,0,0]=3 1929 B20R3.30260 c1cnc2sc(nc2c1)SCOC3CCCCC3 62a_100011935260_100010188088 [0,0,0,0,0,1|2,0,0]=3 1930 B20R3.1869421 c1cc2sc(cc2cn1)CNC3CCCCCC3 207a_100000210984_100000054438 [0,0,0,0,0,1|3,0,0]=4 1931 B20R3.1869421 c1cc2sc(cc2cn1)CNC3CCCCCC3 270004a_100000210984_100000054438 [0,0,0,0,0,1|3,0,0]=4 1932 B20R3.1869421 c1ccc2[nH]c(cc2c1)CNC3CCCCCC3 270004a_100000210984_100000051030 [0,0,0,0,0,1|2,0,1]=4 1933 B20R3.1869421 c1ccc2[nH]c(cc2c1)CNC3CCCCCC3 270004a_100015204011_100000210131 [0,0,0,0,0,1|2,0,1]=4 1934 B20R3.1869421 c1ccc2[nH]c(cc2c1)CNC3CCCNCC3 270004a_100015204011_100015187895 [0,0,0,0,0,1|2,0,1]=4 1935 B20R3.1869421 c1ccc2[nH]c(nc2c1)CNC3CCCCCC3 207a_100000210984_100000185668 [0,0,0,0,0,1|2,0,0]=3 1936 B20R3.1869421 c1ccc2[nH]c(nc2c1)CNC3CCCCCC3 2230a_100000210984_100000737899 [0,0,0,0,0,1|2,0,0]=3 1937 B20R3.1869421 c1ccc2[nH]c(nc2c1)CNC3CCCCCC3 270004a_100000210984_100000185668 [0,0,0,0,0,1|2,0,0]=3 1938 B20R3.1869421 c1ccc2[nH]c(nc2c1)CNC3CCCCCC3 270004a_100000729406_100000210131 [0,0,0,0,0,1|2,0,0]=3 1939 B20R3.1869421 c1ccc2[nH]c(nc2c1)CNC3CCCNCC3 270004a_100000729406_100015187895 [0,0,0,0,0,1|2,0,0]=3 1940 B20R3.1869421 c1ccc2[nH]c(nc2c1)CNC3CSCCSC3 270004a_100000729406_100000068409 [0,0,0,0,0,1|3,0,0]=4 1941 B20R3.1869421 c1ccc2[nH]c(nc2c1)COC3CCCCCC3 7a_100000210887_100000737899 [0,0,0,0,0,1|3,0,0]=4 1942 B20R3.1869421 c1ccc2[nH]c(nc2c1)CSC3CCCCCC3 62a_100011217769_100000737899 [0,0,0,0,0,1|3,0,0]=4 1943 B20R3.1869421 c1ccc2[nH]c(nc2c1)NCC3CCCCCC3 27a_100015204231_100009814255 [0,0,0,0,0,1|3,0,0]=4 1944 B20R3.1869421 c1ccc2[nH]c(nc2c1)SCC3CCCCCC3 62a_200000696569_100009814255 [0,0,0,0,0,1|2,0,0]=3 1945 B20R3.1869421 c1ccc2oc(cc2c1)CNC3CCCCCC3 207a_100000210984_100000229944 [0,0,0,0,0,1|2,1,0]=4 1946 B20R3.1869421 c1ccc2oc(cc2c1)CNC3CCCCCC3 270004a_100000210984_100000229944 [0,0,0,0,0,1|2,1,0]=4 1947 B20R3.1869421 c1ccc2oc(cc2c1)CNC3CCCCCC3 270004a_100011220112_100000210131 [0,0,0,0,0,1|2,1,0]=4 1948 B20R3.1869421 c1ccc2oc(cc2c1)CNC3CCCNCC3 270004a_100011220112_100015187895 [0,0,0,0,0,1|2,1,0]=4 1949 B20R3.1869421 c1ccc2oc(nc2c1)CNC3CCCCCC3 2230a_100000210984_100000195508 [0,0,0,0,0,1|1,1,0]=3 1950 B20R3.1869421 c1ccc2oc(nc2c1)CNC3CCCCCC3 270004a_100000733820_100000210131 [0,0,0,0,0,1|1,1,0]=3 1951 B20R3.1869421 c1ccc2oc(nc2c1)CNC3CCCCCC3 34a_100000210984_200012361514 [0,0,0,0,0,1|1,1,0]=3 1952 B20R3.1869421 c1ccc2oc(nc2c1)CNC3CCCNCC3 270004a_100000733820_100015187895 [0,0,0,0,0,1|1,1,0]=3 1953 B20R3.1869421 c1ccc2oc(nc2c1)CNC3CSCCSC3 270004a_100000733820_100000068409 [0,0,0,0,0,1|2,1,0]=4 1954 B20R3.1869421 c1ccc2oc(nc2c1)COC3CCCCCC3 34a_100000210887_200012361514 [0,0,0,0,0,1|2,1,0]=4 1955 B20R3.1869421 c1ccc2oc(nc2c1)COC3CCCCCC3 7a_100000210887_100000195508 [0,0,0,0,0,1|2,1,0]=4 1956 B20R3.1869421 c1ccc2oc(nc2c1)CSC3CCCCCC3 62a_100011217769_100000195508 [0,0,0,0,0,1|2,1,0]=4 1957 B20R3.1869421 c1ccc2sc(cc2c1)CNC3CCCCCC3 207a_100000210984_100000686906 [0,0,0,0,0,1|2,0,0]=3 1958 B20R3.1869421 c1ccc2sc(cc2c1)CNC3CCCCCC3 270004a_100000210984_100000686906 [0,0,0,0,0,1|2,0,0]=3 1959 B20R3.1869421 c1ccc2sc(cc2c1)CNC3CCCCCC3 270004a_100015187092_100000210131 [0,0,0,0,0,1|2,0,0]=3 1960 B20R3.1869421 c1ccc2sc(cc2c1)CNC3CCCNCC3 270004a_100015187092_100015187895 [0,0,0,0,0,1|2,0,0]=3 1961 B20R3.1869421 c1ccc2sc(cc2c1)CNC3CSCCSC3 270004a_100015187092_100000068409 [0,0,0,0,0,1|3,0,0]=4 1962 B20R3.1869421 c1ccc2sc(nc2c1)CNC3CCCCCC3 2230a_100000210984_100000766747 [0,0,0,0,0,1|1,0,0]=2 1963 B20R3.1869421 c1ccc2sc(nc2c1)CNC3CCCCCC3 270004a_100000210984_100011204187 [0,0,0,0,0,1|1,0,0]=2 1964 B20R3.1869421 c1ccc2sc(nc2c1)CNC3CCCCCC3 34a_100000210984_100011217541 [0,0,0,0,0,1|1,0,0]=2 1965 B20R3.1869421 c1ccc2sc(nc2c1)COC3CCCCCC3 34a_100000210887_100011217541 [0,0,0,0,0,1|2,0,0]=3 1966 B20R3.1869421 c1ccc2sc(nc2c1)COC3CCCCCC3 7a_100000210887_100011217541 [0,0,0,0,0,1|2,0,0]=3 1967 B20R3.1869421 c1ccc2sc(nc2c1)NCC3CCCCCC3 27a_100015204231_100000751744 [0,0,0,0,0,1|2,0,0]=3 1968 B20R3.1869421 c1ccc2sc(nc2c1)NN=C3CCCCCC3 4a_100000181811_100000210131 [0,0,0,0,0,1|1,0,2]=4 1969 B20R3.1869421 c1ccn2cc(nc2c1)CNC3CCCCCC3 207a_100000210984_100000743146 [0,0,0,0,0,1|3,0,0]=4 1970 B20R3.1869421 c1ccn2cc(nc2c1)CNC3CCCCCC3 2230a_100000210984_100000689847 [0,0,0,0,0,1|3,0,0]=4 1971 B20R3.1869421 c1ccn2cc(nc2c1)CNC3CCCCCC3 270004a_100000195574_100000210131 [0,0,0,0,0,1|3,0,0]=4 1972 B20R3.1869421 c1ccn2cc(nc2c1)CNC3CCCCCC3 34a_100000210984_100000689847 [0,0,0,0,0,1|3,0,0]=4 1973 B20R3.1869421 c1ccn2cc(nc2c1)CNC3CCCNCC3 270004a_100000195574_100015187895 [0,0,0,0,0,1|3,0,0]=4 1974 B20R3.1869421 c1ccn2cc(nc2c1)SCC3CCCCCC3 62a_200000696569_100009819586 [0,0,0,0,0,1|3,0,0]=4 1975 B20R3.1869421 c1cnc2[nH]c(nc2c1)CNC3CCCCCC3 2230a_100000210984_100011549802 [0,0,0,0,0,1|3,0,0]=4 1976 B20R3.1869421 c1cnc2nc(oc2c1)CNC3CCCCCC3 2230a_100000210984_100000696355 [0,0,0,0,0,1|2,1,0]=4 1977 B20R3.1869421 c1cnc2sc(cc2c1)CNC3CCCCCC3 207a_100000210984_100000050461 [0,0,0,0,0,1|3,0,0]=4 1978 B20R3.1869421 c1cnc2sc(cc2c1)CNC3CCCCCC3 270004a_100000210984_100000050461 [0,0,0,0,0,1|3,0,0]=4 1979 B20R3.1869421 c1cnc2sc(nc2c1)NCC3CCCCCC3 27a_100015204231_100010188088 [0,0,0,0,0,1|3,0,0]=4 1980 B20R3.1869421 c1cnc2sc(nc2c1)SCC3CCCCCC3 62a_100010188088_200000696569 [0,0,0,0,0,1|2,0,0]=3 1981 B20R3.1869421 c1cnc2sc(nc2c1)SCC3CCCCCC3 62a_200000696569_100010188088 [0,0,0,0,0,1|2,0,0]=3 1982 B17R2.2134 CCCC(C)CSc1nc2ccccc2[nH]1 62a_100011216630_100009814255 [1,0,1,0,0,0|2,0,0]=4 1983 B17R2.2134 CCCC(C)CSc1nc2ccccc2s1 62a_100011216630_100000751744 [1,0,1,0,0,0|1,0,0]=3 1984 B17R2.2134 CCCC(C)CSc1nc2cccnc2s1 62a_100010188088_100011216630 [1,0,1,0,0,0|2,0,0]=4 1985 B17R2.2134 CCCC(C)CSc1nc2cccnc2s1 62a_100011216630_100010188088 [1,0,1,0,0,0|2,0,0]=4 1986 B17R2.2134 CCCC(C)NCc1cc2ccccc2s1 207a_100000741246_100000686906 [1,0,1,0,0,0|2,0,0]=4 1987 B17R2.2134 CCCC(C)NCc1cc2ccccc2s1 2230a_100015187092_100000766640 [1,0,1,0,0,0|2,0,0]=4 1988 B17R2.2134 CCCC(C)NCc1cc2ccccc2s1 270004a_100000741246_100000686906 [1,0,1,0,0,0|2,0,0]=4 1989 B17R2.2134 CCCC(C)NCc1cc2ccccc2s1 270004a_100015187092_100000211909 [1,0,1,0,0,0|2,0,0]=4 1990 B17R2.2134 CCCC(C)NCc1nc2ccccc2[nH]1 207a_100000741246_100000185668 [1,0,1,0,0,0|2,0,0]=4 1991 B17R2.2134 CCCC(C)NCc1nc2ccccc2[nH]1 2230a_100000741246_100000737899 [1,0,1,0,0,0|2,0,0]=4 1992 B17R2.2134 CCCC(C)NCc1nc2ccccc2[nH]1 270004a_100000729406_100000211909 [1,0,1,0,0,0|2,0,0]=4 1993 B17R2.2134 CCCC(C)NCc1nc2ccccc2[nH]1 270004a_100000741246_100000185668 [1,0,1,0,0,0|2,0,0]=4 1994 B17R2.2134 CCCC(C)NCc1nc2ccccc2o1 2230a_100000741246_100000195508 [1,0,1,0,0,0|1,1,0]=4 1995 B17R2.2134 CCCC(C)NCc1nc2ccccc2o1 270004a_100000733820_100000211909 [1,0,1,0,0,0|1,1,0]=4 1996 B17R2.2134 CCCC(C)NCc1nc2ccccc2s1 2230a_100000741246_100000766747 [1,0,1,0,0,0|1,0,0]=3 1997 B17R2.2134 CCCC(C)NCc1nc2ccccc2s1 270004a_100000741246_100011204187 [1,0,1,0,0,0|1,0,0]=3 1998 B17R2.2134 CCCC(C)OCc1nc2ccccc2s1 34a_100000764384_100011217541 [1,0,1,0,0,0|2,0,0]=4 1999 B17R2.2134 CCCC(C)OCc1nc2ccccc2s1 7a_100000764384_100011217541 [1,0,1,0,0,0|2,0,0]=4 2000 B17R2.2134 CCCC(C)SCc1nc2ccccc2s1 62a_100000766640_100000766747 [1,0,1,0,0,0|2,0,0]=4 2001 B17R2.2134 CCCC(C)SCc1nc2ccccc2s1 62a_100011217541_100000766640 [1,0,1,0,0,0|2,0,0]=4 2002 B17R2.2134 COC[C@@H](C)NCc1nc2ccccc2s1 2230a_100000764878_100000766747 [1,0,1,0,0,0|2,0,0]=4 2003 B17R2.2134 COC[C@@H](C)NCc1nc2ccccc2s1 270004a_100000764878_100011204187 [1,0,1,0,0,0|2,0,0]=4 2004 B17R2.2134 C[C@H](CCO)NCc1nc2ccccc2s1 2230a_100000706166_100000766747 [1,0,1,0,0,0|2,0,0]=4 2005 B17R2.2134 C[C@H](CCO)NCc1nc2ccccc2s1 270004a_100000706166_100011204187 [1,0,1,0,0,0|2,0,0]=4 2006 B17R2.2134 C[C@H](CCO)NCc1nc2ccccc2s1 34a_100000706166_100011217541 [1,0,1,0,0,0|2,0,0]=4 2007 B17R2.2569 C#CCCCCNc1nc2ccccc2s1 27a_100000706060_100000751744 [1,0,1,0,0,0|0,0,2]=4 2008 B17R2.2569 C#CCCCCSc1nc2ccccc2s1 62a_100010269958_100000751744 [1,0,1,0,0,0|0,0,2]=4 2009 B17R2.2569 C=CCCCCNc1nc2ccccc2s1 27a_100000703577_100000751744 [1,0,1,0,0,0|0,0,2]=4 2010 B17R2.2569 C=CCCCCSc1nc2ccccc2s1 62a_100011215482_100000751744 [1,0,1,0,0,0|0,0,2]=4 2011 B17R2.2569 CC/C=C\CCSc1nc2ccccc2s1 62a_100015370543_100000751744 [1,0,1,0,0,0|0,0,2]=4 2012 B17R2.2569 CCCCC=NNc1nc2ccccc2s1 4a_100000181811_100000210104 [1,0,1,0,0,0|1,0,1]=4 2013 B17R2.2569 CCCCCC=Cc1nc2ccccc2s1 271570a_100000062253_100000751744 [1,0,1,0,0,0|1,0,1]=4 2014 B17R2.2569 CCCCCCNc1nc2ccccc2[nH]1 27a_100000210581_100009814255 [1,0,1,0,0,0|1,0,0]=3 2015 B17R2.2569 CCCCCCNc1nc2ccccc2s1 27a_100000210581_100000751744 [1,0,1,0,0,0|0,0,0]=2 2016 B17R2.2569 CCCCCCNc1nc2cccnc2s1 27a_100000210581_100010188088 [1,0,1,0,0,0|1,0,0]=3 2017 B17R2.2569 CCCCCCSc1cc2ccccc2[nH]1 62a_100000210314_100010232065 [1,0,1,0,0,0|1,0,1]=4 2018 B17R2.2569 CCCCCCSc1cn2ccccc2n1 62a_100000210314_100009819586 [1,0,1,0,0,0|2,0,0]=4 2019 B17R2.2569 CCCCCCSc1nc2ccccc2[nH]1 62a_100000210314_100009814255 [1,0,1,0,0,0|1,0,0]=3 2020 B17R2.2569 CCCCCCSc1nc2ccccc2s1 62a_100000210314_100000751744 [1,0,1,0,0,0|0,0,0]=2 2021 B17R2.2569 CCCCCCSc1nc2cccnc2s1 62a_100000210314_100010188088 [1,0,1,0,0,0|1,0,0]=3 2022 B17R2.2569 CCCCCCSc1nc2cccnc2s1 62a_100010188088_100000210757 [1,0,1,0,0,0|1,0,0]=3 2023 B17R2.2569 CCCCCNCc1cc2ccccc2s1 207a_100000209983_100000686906 [1,0,1,0,0,0|2,0,0]=4 2024 B17R2.2569 CCCCCNCc1cc2ccccc2s1 2230a_100015187092_100000210326 [1,0,1,0,0,0|2,0,0]=4 2025 B17R2.2569 CCCCCNCc1cc2ccccc2s1 270004a_100000209983_100000686906 [1,0,1,0,0,0|2,0,0]=4 2026 B17R2.2569 CCCCCNCc1nc2ccccc2[nH]1 207a_100000209983_100000185668 [1,0,1,0,0,0|2,0,0]=4 2027 B17R2.2569 CCCCCNCc1nc2ccccc2[nH]1 2230a_100000209983_100000737899 [1,0,1,0,0,0|2,0,0]=4 2028 B17R2.2569 CCCCCNCc1nc2ccccc2[nH]1 270004a_100000209983_100000185668 [1,0,1,0,0,0|2,0,0]=4 2029 B17R2.2569 CCCCCNCc1nc2ccccc2o1 2230a_100000209983_100000195508 [1,0,1,0,0,0|1,1,0]=4 2030 B17R2.2569 CCCCCNCc1nc2ccccc2s1 2230a_100000209983_100000766747 [1,0,1,0,0,0|1,0,0]=3 2031 B17R2.2569 CCCCCNCc1nc2ccccc2s1 270004a_100000209983_100011204187 [1,0,1,0,0,0|1,0,0]=3 2032 B17R2.2569 CCCCCOCc1nc2ccccc2s1 34a_100000210253_100011217541 [1,0,1,0,0,0|2,0,0]=4 2033 B17R2.2569 CCCCCOCc1nc2ccccc2s1 7a_100000210253_100011217541 [1,0,1,0,0,0|2,0,0]=4 2034 B17R2.2569 CCCCCSCc1nc2ccccc2s1 62a_100000210326_100000766747 [1,0,1,0,0,0|2,0,0]=4 2035 B17R2.2569 CCCCCSCc1nc2ccccc2s1 62a_100011217541_100000210326 [1,0,1,0,0,0|2,0,0]=4 2036 B17R2.2569 CCCCOCSc1cc2ccccc2s1 62a_100011995733_100009816949 [1,0,1,0,0,0|2,0,0]=4 2037 B17R2.2569 CCCCOCSc1nc2ccccc2[nH]1 62a_100011995733_100009814255 [1,0,1,0,0,0|2,0,0]=4 2038 B17R2.2569 CCCCOCSc1nc2ccccc2s1 62a_100011995733_100000751744 [1,0,1,0,0,0|1,0,0]=3 2039 B17R2.2569 CCCCOCSc1nc2cccnc2s1 62a_100010188088_100011995733 [1,0,1,0,0,0|2,0,0]=4 2040 B17R2.2569 CCCCOCSc1nc2cccnc2s1 62a_100011995733_100010188088 [1,0,1,0,0,0|2,0,0]=4 2041 B17R2.2569 CCCOCCNc1nc2ccccc2[nH]1 27a_100161115042_100009814255 [1,0,1,0,0,0|2,0,0]=4 2042 B17R2.2569 CCCOCCNc1nc2ccccc2s1 27a_100161115042_100000751744 [1,0,1,0,0,0|1,0,0]=3 2043 B17R2.2569 CCCOCCNc1nc2cccnc2s1 27a_100161115042_100010188088 [1,0,1,0,0,0|2,0,0]=4 2044 B17R2.2569 CCCOCCSc1cc2ccccc2s1 62a_100011215938_100009816949 [1,0,1,0,0,0|2,0,0]=4 2045 B17R2.2569 CCCOCCSc1nc2ccccc2[nH]1 62a_100011215938_100009814255 [1,0,1,0,0,0|2,0,0]=4 2046 B17R2.2569 CCCOCCSc1nc2ccccc2s1 62a_100011215938_100000751744 [1,0,1,0,0,0|1,0,0]=3 2047 B17R2.2569 CCCOCCSc1nc2cccnc2s1 62a_100010188088_100011215938 [1,0,1,0,0,0|2,0,0]=4 2048 B17R2.2569 CCCOCCSc1nc2cccnc2s1 62a_100011215938_100010188088 [1,0,1,0,0,0|2,0,0]=4 2049 B17R2.2569 CCCSCCNc1nc2ccccc2[nH]1 27a_100020603323_100009814255 [1,0,1,0,0,0|2,0,0]=4 2050 B17R2.2569 CCCSCCNc1nc2ccccc2s1 27a_100020603323_100000751744 [1,0,1,0,0,0|1,0,0]=3 2051 B17R2.2569 CCCSCCNc1nc2cccnc2s1 27a_100020603323_100010188088 [1,0,1,0,0,0|2,0,0]=4 2052 B17R2.2569 CCOCCCNc1nc2ccccc2[nH]1 27a_100000210961_100009814255 [1,0,1,0,0,0|2,0,0]=4 2053 B17R2.2569 CCOCCCNc1nc2ccccc2s1 27a_100000210961_100000751744 [1,0,1,0,0,0|1,0,0]=3 2054 B17R2.2569 CCOCCCNc1nc2cccnc2s1 27a_100000210961_100010188088 [1,0,1,0,0,0|2,0,0]=4 2055 B17R2.2569 CCOCCCSc1cc2ccccc2s1 62a_100012232248_100009816949 [1,0,1,0,0,0|2,0,0]=4 2056 B17R2.2569 CCOCCCSc1nc2ccccc2[nH]1 62a_100012232248_100009814255 [1,0,1,0,0,0|2,0,0]=4 2057 B17R2.2569 CCOCCCSc1nc2ccccc2s1 62a_100012232248_100000751744 [1,0,1,0,0,0|1,0,0]=3 2058 B17R2.2569 CCOCCCSc1nc2cccnc2s1 62a_100010188088_100012232248 [1,0,1,0,0,0|2,0,0]=4 2059 B17R2.2569 CCOCCCSc1nc2cccnc2s1 62a_100012232248_100010188088 [1,0,1,0,0,0|2,0,0]=4 2060 B17R2.2569 CCOCCNCc1nc2ccccc2s1 2230a_102516460346_100000766747 [1,0,1,0,0,0|2,0,0]=4 2061 B17R2.2569 CCOCCNCc1nc2ccccc2s1 270004a_102516460346_100011204187 [1,0,1,0,0,0|2,0,0]=4 2062 B17R2.2569 CCOCCNCc1nc2ccccc2s1 34a_102516460346_100011217541 [1,0,1,0,0,0|2,0,0]=4 2063 B17R2.2569 CCSCCNCc1nc2ccccc2s1 2230a_100000106463_100000766747 [1,0,1,0,0,0|2,0,0]=4 2064 B17R2.2569 CCSCCNCc1nc2ccccc2s1 270004a_100000106463_100011204187 [1,0,1,0,0,0|2,0,0]=4 2065 B17R2.2569 COCCCCSc1cc2ccccc2s1 62a_100000730899_100009816949 [1,0,1,0,0,0|2,0,0]=4 2066 B17R2.2569 COCCCCSc1nc2ccccc2[nH]1 62a_100000730899_100009814255 [1,0,1,0,0,0|2,0,0]=4 2067 B17R2.2569 COCCCCSc1nc2ccccc2s1 62a_100000730899_100000751744 [1,0,1,0,0,0|1,0,0]=3 2068 B17R2.2569 COCCCCSc1nc2cccnc2s1 62a_100000730899_100010188088 [1,0,1,0,0,0|2,0,0]=4 2069 B17R2.2569 COCCCCSc1nc2cccnc2s1 62a_100010188088_100000730899 [1,0,1,0,0,0|2,0,0]=4 2070 B17R2.2569 COCCCNCc1nc2ccccc2s1 270004a_100150723488_100011204187 [1,0,1,0,0,0|2,0,0]=4 2071 B17R2.2569 COCCCNCc1nc2ccccc2s1 34a_100150723488_100011217541 [1,0,1,0,0,0|2,0,0]=4 2072 B17R2.2569 COCCOCSc1nc2ccccc2s1 62a_100000231047_100000751744 [1,0,1,0,0,0|2,0,0]=4 2073 B17R2.2569 CSCCCNCc1nc2ccccc2s1 2230a_100000749238_100000766747 [1,0,1,0,0,0|2,0,0]=4 2074 B17R2.2569 CSCCCNCc1nc2ccccc2s1 270004a_100000749238_100011204187 [1,0,1,0,0,0|2,0,0]=4 2075 B17R2.2569 FCCCCCSc1nc2ccccc2[nH]1 62a_100000729378_100009814255 [1,0,1,0,0,0|2,0,0]=4 2076 B17R2.2569 FCCCCCSc1nc2ccccc2s1 62a_100000729378_100000751744 [1,0,1,0,0,0|1,0,0]=3 2077 B17R2.2569 FCCCCCSc1nc2cccnc2s1 62a_100000729378_100010188088 [1,0,1,0,0,0|2,0,0]=4 2078 B17R2.2569 FCCCCCSc1nc2cccnc2s1 62a_100010188088_100000729378 [1,0,1,0,0,0|2,0,0]=4 2079 B17R2.2569 N#CCCCCNc1nc2ccccc2s1 27a_100000751965_100000751744 [1,0,1,0,0,0|1,0,1]=4 2080 B17R2.2569 N#CCCCCSc1nc2ccccc2s1 62a_100011219923_100000751744 [1,0,1,0,0,0|1,0,1]=4 2081 B17R2.2569 O=CCCCCSc1nc2ccccc2s1 62a_100000139335_100000751744 [1,0,1,0,0,0|1,0,1]=4 2082 B17R2.2569 OCCCCCNc1nc2ccccc2[nH]1 27a_100000762737_100009814255 [1,0,1,0,0,0|2,0,0]=4 2083 B17R2.2569 OCCCCCNc1nc2ccccc2s1 27a_100000762737_100000751744 [1,0,1,0,0,0|1,0,0]=3 2084 B17R2.2569 OCCCCCNc1nc2cccnc2s1 27a_100000762737_100010188088 [1,0,1,0,0,0|2,0,0]=4 2085 B17R2.2569 OCCCCCSc1cc2ccccc2s1 62a_100000746330_100009816949 [1,0,1,0,0,0|2,0,0]=4 2086 B17R2.2569 OCCCCCSc1nc2ccccc2[nH]1 62a_100000746330_100009814255 [1,0,1,0,0,0|2,0,0]=4 2087 B17R2.2569 OCCCCCSc1nc2ccccc2s1 62a_100000746330_100000751744 [1,0,1,0,0,0|1,0,0]=3 2088 B17R2.2569 OCCCCCSc1nc2cccnc2s1 62a_100000746330_100010188088 [1,0,1,0,0,0|2,0,0]=4 2089 B17R2.2569 OCCCCCSc1nc2cccnc2s1 62a_100010188088_100000746330 [1,0,1,0,0,0|2,0,0]=4 2090 B17R2.2569 OCCCCNCc1nc2ccccc2s1 2230a_100000750430_100000766747 [1,0,1,0,0,0|2,0,0]=4 2091 B17R2.2569 OCCCCNCc1nc2ccccc2s1 270004a_100000750430_100011204187 [1,0,1,0,0,0|2,0,0]=4 2092 B17R2.2569 OCCCCNCc1nc2ccccc2s1 34a_100000750430_100011217541 [1,0,1,0,0,0|2,0,0]=4 2093 B17R2.2569 OCCOCCNc1nc2ccccc2s1 27a_100000211614_100000751744 [1,0,1,0,0,0|2,0,0]=4 2094 B17R2.2569 OCCOCCSc1nc2ccccc2s1 62a_100011215305_100000751744 [1,0,1,0,0,0|2,0,0]=4 2095 B17R2.2569 OCCSCCNc1nc2ccccc2s1 27a_100011219999_100000751744 [1,0,1,0,0,0|2,0,0]=4 2096 B17R2.2382 C(=C/c1ccccc1)\CNC2CCCCC2 2230a_100000182618_100016265936 [1,0,1,0,0,0|2,0,0]=4 2097 B17R2.2382 C(=C/c1ccccc1)\CNC2CCCCC2 270004a_100020603302_100000210434 [1,0,1,0,0,0|2,0,0]=4 2098 B17R2.2382 C(=C/c1ccccc1)\CNC2CCCCC2 34a_100000182618_100016265936 [1,0,1,0,0,0|2,0,0]=4 2099 B17R2.2382 C(=C/c1ccccc1)\CNC2CCCCC2 34a_100020603302_100000210327 [1,0,1,0,0,0|2,0,0]=4 2100 B17R2.2382 C(=Cc1ccccc1)CNC2CCCCC2 270004a_100000182618_100000210105 [1,0,1,0,0,0|2,0,0]=4 2101 B17R2.2382 C(=NNC1CCCCC1)Cc2ccccc2 4a_100000709804_100000209964 [1,0,1,0,0,0|2,0,0]=4 2102 B17R2.2382 c1ccc(cc1)SCCNC2CCCCC2 2230a_100000182618_100000246102 [1,0,1,0,0,0|1,0,1]=4 2103 B17R2.2382 c1ccc(cc1)SCCNC2CCCCC2 270004a_100000189519_100000210434 [1,0,1,0,0,0|1,0,1]=4 2104 B17R2.2382 c1ccc(cc1)SCCNC2CCCCC2 34a_100000182618_100000246102 [1,0,1,0,0,0|1,0,1]=4 2105 B17R2.5532 CCC(CC)CNc1nc2ccccc2s1 27a_100102946423_100000751744 [1,0,1,0,0,0|2,0,0]=4 2106 B17R2.5532 CCC(CC)CSc1nc2ccccc2[nH]1 62a_100011215472_100009814255 [1,0,1,0,0,0|2,0,0]=4 2107 B17R2.5532 CCC(CC)CSc1nc2ccccc2s1 62a_100011215472_100000751744 [1,0,1,0,0,0|1,0,0]=3 2108 B17R2.5532 CCC(CC)CSc1nc2cccnc2s1 62a_100010188088_100011215472 [1,0,1,0,0,0|2,0,0]=4 2109 B17R2.5532 CCC(CC)CSc1nc2cccnc2s1 62a_100011215472_100010188088 [1,0,1,0,0,0|2,0,0]=4 2110 B17R2.5532 CCC(CC)NCc1cc2ccccc2s1 207a_100000199018_100000686906 [1,0,1,0,0,0|2,0,0]=4 2111 B17R2.5532 CCC(CC)NCc1cc2ccccc2s1 270004a_100000199018_100000686906 [1,0,1,0,0,0|2,0,0]=4 2112 B17R2.5532 CCC(CC)NCc1cc2ccccc2s1 270004a_100015187092_100000210860 [1,0,1,0,0,0|2,0,0]=4 2113 B17R2.5532 CCC(CC)NCc1nc2ccccc2[nH]1 207a_100000199018_100000185668 [1,0,1,0,0,0|2,0,0]=4 2114 B17R2.5532 CCC(CC)NCc1nc2ccccc2[nH]1 2230a_100000199018_100000737899 [1,0,1,0,0,0|2,0,0]=4 2115 B17R2.5532 CCC(CC)NCc1nc2ccccc2[nH]1 270004a_100000199018_100000185668 [1,0,1,0,0,0|2,0,0]=4 2116 B17R2.5532 CCC(CC)NCc1nc2ccccc2[nH]1 270004a_100000729406_100000210860 [1,0,1,0,0,0|2,0,0]=4 2117 B17R2.5532 CCC(CC)NCc1nc2ccccc2o1 2230a_100000199018_100000195508 [1,0,1,0,0,0|1,1,0]=4 2118 B17R2.5532 CCC(CC)NCc1nc2ccccc2o1 270004a_100000733820_100000210860 [1,0,1,0,0,0|1,1,0]=4 2119 B17R2.5532 CCC(CC)NCc1nc2ccccc2s1 2230a_100000199018_100000766747 [1,0,1,0,0,0|1,0,0]=3 2120 B17R2.5532 CCC(CC)NCc1nc2ccccc2s1 270004a_100000199018_100011204187 [1,0,1,0,0,0|1,0,0]=3 2121 B17R2.5532 CCC(CC)OCc1nc2ccccc2s1 7a_100000688536_100011217541 [1,0,1,0,0,0|2,0,0]=4 2122 B17R2.5532 CCC(CC)SCc1nc2ccccc2s1 62a_100000210505_100000766747 [1,0,1,0,0,0|2,0,0]=4 2123 B17R2.5532 CCC(CC)SCc1nc2ccccc2s1 62a_100011217541_100000210505 [1,0,1,0,0,0|2,0,0]=4 2124 B17R2.5532 CC[C@@H](CO)NCc1nc2ccccc2s1 2230a_100000709445_100000766747 [1,0,1,0,0,0|2,0,0]=4 2125 B17R2.5532 CC[C@@H](CO)NCc1nc2ccccc2s1 270004a_100000709445_100011204187 [1,0,1,0,0,0|2,0,0]=4 2126 B19R2.1465 CCCCC(C)NCc1cc2cc(ccc2s1)C 207a_100000126638_100000050833 [0,1,1,0,0,0|2,0,0]=4 2127 B19R2.1465 CCCCC(C)NCc1cc2cc(ccc2s1)C 270004a_100000126638_100000050833 [0,1,1,0,0,0|2,0,0]=4 2128 B19R2.1465 CCCCC(C)NCc1nc2cc(ccc2[nH]1)Br 2230a_100000126638_100000701424 [0,1,1,0,0,0|2,0,0]=4 2129 B19R2.1465 CCCCC(C)NCc1nc2cc(ccc2[nH]1)C 270004a_100000754707_100000210087 [0,1,1,0,0,0|2,0,0]=4 2130 B19R2.1465 CCCCC(C)NCc1nc2cc(ccc2[nH]1)Cl 2230a_100000126638_100000179801 [0,1,1,0,0,0|2,0,0]=4 2131 B19R2.1465 CCCCC(C)NCc1nc2cc(ccc2[nH]1)F 207a_100000126638_200011915233 [0,1,1,0,0,0|2,0,0]=4 2132 B19R2.1465 CCCCC(C)NCc1nc2cc(ccc2[nH]1)F 270004a_100000126638_200011915233 [0,1,1,0,0,0|2,0,0]=4 2133 B19R2.1465 CCCCC(C)NCc1nc2cc(ccc2o1)Br 2230a_100000126638_100000730559 [0,1,1,0,0,0|1,1,0]=4 2134 B19R2.1465 CCCCC(C)NCc1nc2cc(ccc2o1)C 2230a_100000126638_100011374149 [0,1,1,0,0,0|1,1,0]=4 2135 B19R2.1465 CCCCC(C)NCc1nc2cc(ccc2o1)Cl 2230a_100000126638_100011222916 [0,1,1,0,0,0|1,1,0]=4 2136 B19R2.1465 CCCCC(C)NCc1nc2cc(ccc2o1)F 2230a_100000126638_100000687093 [0,1,1,0,0,0|1,1,0]=4 2137 B19R2.1465 CCCCC(C)NCc1nc2ccc(cc2[nH]1)Br 207a_100000126638_200011361486 [0,1,1,0,0,0|2,0,0]=4 2138 B19R2.1465 CCCCC(C)NCc1nc2ccc(cc2[nH]1)Br 270004a_100000126638_200011361486 [0,1,1,0,0,0|2,0,0]=4 2139 B19R2.1465 CCCCC(C)NCc1nc2ccc(cc2[nH]1)C 2230a_100000126638_100020603265 [0,1,1,0,0,0|2,0,0]=4 2140 B19R2.1465 CCCCC(C)NCc1nc2ccc(cc2[nH]1)F 2230a_100000126638_200011347187 [0,1,1,0,0,0|2,0,0]=4 2141 B19R2.1465 CCCCC(C)NCc1nc2ccc(cc2o1)Br 2230a_100000126638_100000729449 [0,1,1,0,0,0|1,1,0]=4 2142 B19R2.1465 CCCCC(C)NCc1nc2ccc(cc2o1)C 2230a_100000126638_100011295139 [0,1,1,0,0,0|1,1,0]=4 2143 B19R2.1465 CCCCC(C)NCc1nc2ccc(cc2o1)F 2230a_100000126638_100000687025 [0,1,1,0,0,0|1,1,0]=4 2144 B19R2.1467 CCCCC(C)NCc1nc2ccccc2n1C 207a_100000126638_100000188960 [0,1,1,0,0,0|2,0,0]=4 2145 B19R2.1467 CCCCC(C)NCc1nc2ccccc2n1C 2230a_100000126638_100000748711 [0,1,1,0,0,0|2,0,0]=4 2146 B19R2.1467 CCCCC(C)NCc1nc2ccccc2n1C 270004a_100000126638_100000188960 [0,1,1,0,0,0|2,0,0]=4 2147 B19R2.1467 CCCCC(C)NCc1nc2ccccc2n1C 270004a_100000700934_100000210087 [0,1,1,0,0,0|2,0,0]=4 2148 B19R2.1467 CCCCC(C)NCc1sc2ccccc2c1C 207a_100000126638_100000038699 [0,1,1,0,0,0|2,0,0]=4 2149 B19R2.1467 CCCCC(C)NCc1sc2ccccc2c1C 270004a_100000126638_100000038699 [0,1,1,0,0,0|2,0,0]=4 2150 B19R2.1474 CCCCC(C)NCc1nc2c(cccc2[nH]1)C 270004a_100015183929_100000210087 [0,1,1,0,0,0|2,0,0]=4 2151 B19R2.1474 CCCCC(C)NCc1nc2c(cccc2[nH]1)F 270004a_100011347252_100000210087 [0,1,1,0,0,0|2,0,0]=4 2152 B19R2.1474 CCCCC(C)NCc1nc2c(cccc2o1)C 2230a_100000126638_100011397728 [0,1,1,0,0,0|1,1,0]=4 2153 B19R2.2352 CCCCCC(C)NCc1cc2ccccc2s1 207a_100000211957_100000686906 [0,1,1,0,0,0|2,0,0]=4 2154 B19R2.2352 CCCCCC(C)NCc1cc2ccccc2s1 2230a_100015187092_200011218191 [0,1,1,0,0,0|2,0,0]=4 2155 B19R2.2352 CCCCCC(C)NCc1cc2ccccc2s1 270004a_100000211957_100000686906 [0,1,1,0,0,0|2,0,0]=4 2156 B19R2.2352 CCCCCC(C)NCc1cc2ccccc2s1 270004a_100015187092_100000211708 [0,1,1,0,0,0|2,0,0]=4 2157 B19R2.2352 CCCCCC(C)NCc1nc2ccccc2[nH]1 207a_100000211957_100000185668 [0,1,1,0,0,0|2,0,0]=4 2158 B19R2.2352 CCCCCC(C)NCc1nc2ccccc2[nH]1 2230a_100000211957_100000737899 [0,1,1,0,0,0|2,0,0]=4 2159 B19R2.2352 CCCCCC(C)NCc1nc2ccccc2[nH]1 270004a_100000211957_100000185668 [0,1,1,0,0,0|2,0,0]=4 2160 B19R2.2352 CCCCCC(C)NCc1nc2ccccc2[nH]1 270004a_100000729406_100000211708 [0,1,1,0,0,0|2,0,0]=4 2161 B19R2.2352 CCCCCC(C)NCc1nc2ccccc2o1 2230a_100000211957_100000195508 [0,1,1,0,0,0|1,1,0]=4 2162 B19R2.2352 CCCCCC(C)NCc1nc2ccccc2o1 270004a_100000733820_100000211708 [0,1,1,0,0,0|1,1,0]=4 2163 B19R2.2352 CCCCCC(C)NCc1nc2ccccc2s1 2230a_100000211957_100000766747 [0,1,1,0,0,0|1,0,0]=3 2164 B19R2.2352 CCCCCC(C)NCc1nc2ccccc2s1 270004a_100000211957_100011204187 [0,1,1,0,0,0|1,0,0]=3 2165 B19R2.2352 CCCCCC(C)OCc1nc2ccccc2s1 34a_100011215632_100011217541 [0,1,1,0,0,0|2,0,0]=4 2166 B19R2.2352 CCCCCC(C)OCc1nc2ccccc2s1 7a_100011215632_100011217541 [0,1,1,0,0,0|2,0,0]=4 2167 B19R2.2352 CCCSCC(C)NCc1cc2ccccc2s1 270004a_100015187092_100011343953 [0,1,1,0,0,0|2,0,0]=4 2168 B19R2.2352 CCCSCC(C)NCc1nc2ccccc2[nH]1 270004a_100000729406_100011343953 [0,1,1,0,0,0|2,0,0]=4 2169 B19R2.2352 CCCSCC(C)NCc1nc2ccccc2o1 270004a_100000733820_100011343953 [0,1,1,0,0,0|1,1,0]=4 2170 B19R2.2352 CCOCCC(C)NCc1cc2ccccc2s1 270004a_100015187092_200011216536 [0,1,1,0,0,0|2,0,0]=4 2171 B19R2.2352 CCOCCC(C)NCc1nc2ccccc2[nH]1 270004a_100000729406_200011216536 [0,1,1,0,0,0|2,0,0]=4 2172 B19R2.2352 CCOCCC(C)NCc1nc2ccccc2o1 270004a_100000733820_200011216536 [0,1,1,0,0,0|1,1,0]=4 2173 B19R2.2352 COCCCC(C)OCc1nc2ccccc2s1 34a_200011539412_100011217541 [0,1,1,0,0,0|2,0,0]=4 2174 B19R2.2352 COCCCC(C)OCc1nc2ccccc2s1 7a_200011539412_100011217541 [0,1,1,0,0,0|2,0,0]=4 2175 B19R2.2352 CSCCCC(C)NCc1cc2ccccc2s1 270004a_100015187092_100011399439 [0,1,1,0,0,0|2,0,0]=4 2176 B19R2.2352 CSCCCC(C)NCc1nc2ccccc2[nH]1 270004a_100000729406_100011399439 [0,1,1,0,0,0|2,0,0]=4 2177 B19R2.2352 CSCCCC(C)NCc1nc2ccccc2o1 270004a_100000733820_100011399439 [0,1,1,0,0,0|1,1,0]=4 2178 B19R2.10410 CCC(C)CC(C)NCc1cc2ccccc2s1 207a_100000763565_100000686906 [0,1,1,0,0,0|2,0,0]=4 2179 B19R2.10410 CCC(C)CC(C)NCc1cc2ccccc2s1 270004a_100000763565_100000686906 [0,1,1,0,0,0|2,0,0]=4 2180 B19R2.10410 CCC(C)CC(C)NCc1cc2ccccc2s1 270004a_100015187092_100011710205 [0,1,1,0,0,0|2,0,0]=4 2181 B19R2.10410 CCC(C)CC(C)NCc1nc2ccccc2[nH]1 207a_100000763565_100000185668 [0,1,1,0,0,0|2,0,0]=4 2182 B19R2.10410 CCC(C)CC(C)NCc1nc2ccccc2[nH]1 2230a_100000763565_100000737899 [0,1,1,0,0,0|2,0,0]=4 2183 B19R2.10410 CCC(C)CC(C)NCc1nc2ccccc2[nH]1 270004a_100000729406_100011710205 [0,1,1,0,0,0|2,0,0]=4 2184 B19R2.10410 CCC(C)CC(C)NCc1nc2ccccc2[nH]1 270004a_100000763565_100000185668 [0,1,1,0,0,0|2,0,0]=4 2185 B19R2.10410 CCC(C)CC(C)NCc1nc2ccccc2o1 2230a_100000763565_100000195508 [0,1,1,0,0,0|1,1,0]=4 2186 B19R2.10410 CCC(C)CC(C)NCc1nc2ccccc2o1 270004a_100000733820_100011710205 [0,1,1,0,0,0|1,1,0]=4 2187 B19R2.10410 CCC(C)CC(C)NCc1nc2ccccc2s1 2230a_100000763565_100000766747 [0,1,1,0,0,0|1,0,0]=3 2188 B19R2.10410 CCC(C)CC(C)NCc1nc2ccccc2s1 270004a_100000763565_100011204187 [0,1,1,0,0,0|1,0,0]=3 2189 B19R2.23310 CCCC(C)C(C)NCc1cc2ccccc2s1 270004a_100015187092_100011216282 [0,1,1,0,0,0|2,0,0]=4 2190 B19R2.23310 CCCC(C)C(C)NCc1nc2ccccc2[nH]1 270004a_100000729406_100011216282 [0,1,1,0,0,0|2,0,0]=4 2191 B19R2.23310 CCCC(C)C(C)NCc1nc2ccccc2o1 270004a_100000733820_100011216282 [0,1,1,0,0,0|1,1,0]=4 2192 B19R2.23310 CCCC(C)C(C)OCc1nc2ccccc2s1 34a_100000708338_100011217541 [0,1,1,0,0,0|2,0,0]=4 2193 B19R2.23310 CCCC(C)C(C)OCc1nc2ccccc2s1 7a_100000708338_100011217541 [0,1,1,0,0,0|2,0,0]=4 2194 B19R2.44512 CCCCC(C)(C)OCc1nc2ccccc2s1 7a_100011219641_100011217541 [0,1,1,0,0,0|2,0,0]=4 2195 B19R2.46001 CCCCC(C)NC(C)c1nc2ccccc2[nH]1 270004a_100000126638_100000199114 [0,1,1,0,0,0|2,0,0]=4 2196 B19R2.46001 CCCCC(C)NC(C)c1nc2ccccc2s1 2230a_100000213967_200011215066 [0,1,1,0,0,0|1,0,0]=3 2197 B19R2.46001 CCCCC(C)NC(C)c1nc2ccccc2s1 270004a_100000213967_100000210087 [0,1,1,0,0,0|1,0,0]=3 2198 B19R2.46001 CCCCC(C)N[C@@H](C)c1nc2ccccc2[nH]1 2230a_100015206438_200011215066 [0,1,1,0,0,0|2,0,0]=4 2199 B19R2.46001 CCCCC(C)N[C@@H](C)c1nc2ccccc2[nH]1 270004a_100015206438_100000210087 [0,1,1,0,0,0|2,0,0]=4 2200 B19R2.46001 CCSCC(C)NC(C)c1nc2ccccc2s1 270004a_100000213967_200011216171 [0,1,1,0,0,0|2,0,0]=4 2201 B19R2.46001 COCCC(C)NC(C)c1nc2ccccc2s1 270004a_100000213967_100000742357 [0,1,1,0,0,0|2,0,0]=4 2202 B19R2.46001 CSCCC(C)NC(C)c1nc2ccccc2s1 270004a_100000213967_100011217047 [0,1,1,0,0,0|2,0,0]=4 2203 B19R2.51123 CCCCC(C)C(=O)Cc1nc2ccccc2s1 1458a_100000725509_100011217541 [0,1,1,0,0,0|2,0,0]=4 2204 B19R2.51123 CCCCC(C)N(C)Cc1cc2ccccc2s1 2230a_100015183267_200011215066 [0,1,1,0,0,0|2,0,0]=4 2205 B19R2.51123 CCCCC(C)N(C)Cc1cc2ccccc2s1 269982a_100015183267_200011215066 [0,1,1,0,0,0|2,0,0]=4 2206 B19R2.51123 CCCCC(C)N(C)Cc1cc2ccccc2s1 270004a_100015183267_100000210087 [0,1,1,0,0,0|2,0,0]=4 2207 B19R2.51123 CCCCC(C)N(C)Cc1nc2ccccc2[nH]1 2230a_100000736437_200011215066 [0,1,1,0,0,0|2,0,0]=4 2208 B19R2.51123 CCCCC(C)N(C)Cc1nc2ccccc2[nH]1 269982a_100000736437_200011215066 [0,1,1,0,0,0|2,0,0]=4 2209 B19R2.51123 CCCCC(C)N(C)Cc1nc2ccccc2[nH]1 270004a_100000736437_100000210087 [0,1,1,0,0,0|2,0,0]=4 2210 B19R2.51123 CCCCC(C)N(C)Cc1nc2ccccc2s1 2230a_100000204650_200011215066 [0,1,1,0,0,0|1,0,0]=3 2211 B19R2.51123 CCCCC(C)N(C)Cc1nc2ccccc2s1 269982a_100000204650_200011215066 [0,1,1,0,0,0|1,0,0]=3 2212 B19R2.51123 CCCCC(C)N(C)Cc1nc2ccccc2s1 270004a_100000204650_100000210087 [0,1,1,0,0,0|1,0,0]=3 2213 B19R2.51123 CCSCC(C)N(C)Cc1nc2ccccc2s1 270004a_100000204650_200011216171 [0,1,1,0,0,0|2,0,0]=4 2214 B19R2.51123 COCCC(C)N(C)Cc1nc2ccccc2s1 270004a_100000204650_100000742357 [0,1,1,0,0,0|2,0,0]=4 2215 B19R2.51123 CSCCC(C)N(C)Cc1nc2ccccc2s1 270004a_100000204650_100011217047 [0,1,1,0,0,0|2,0,0]=4 2216 B19R2.112266 CC(C)CCC(C)NCc1cc2ccccc2s1 207a_100138410893_100000686906 [0,1,1,0,0,0|2,0,0]=4 2217 B19R2.112266 CC(C)CCC(C)NCc1cc2ccccc2s1 2230a_100015187092_100011261404 [0,1,1,0,0,0|2,0,0]=4 2218 B19R2.112266 CC(C)CCC(C)NCc1cc2ccccc2s1 270004a_100015187092_100000210476 [0,1,1,0,0,0|2,0,0]=4 2219 B19R2.112266 CC(C)CCC(C)NCc1cc2ccccc2s1 270004a_100138410893_100000686906 [0,1,1,0,0,0|2,0,0]=4 2220 B19R2.112266 CC(C)CCC(C)NCc1nc2ccccc2[nH]1 207a_100138410893_100000185668 [0,1,1,0,0,0|2,0,0]=4 2221 B19R2.112266 CC(C)CCC(C)NCc1nc2ccccc2[nH]1 2230a_100138410893_100000737899 [0,1,1,0,0,0|2,0,0]=4 2222 B19R2.112266 CC(C)CCC(C)NCc1nc2ccccc2[nH]1 270004a_100000729406_100000210476 [0,1,1,0,0,0|2,0,0]=4 2223 B19R2.112266 CC(C)CCC(C)NCc1nc2ccccc2[nH]1 270004a_100138410893_100000185668 [0,1,1,0,0,0|2,0,0]=4 2224 B19R2.112266 CC(C)CCC(C)NCc1nc2ccccc2o1 2230a_100138410893_100000195508 [0,1,1,0,0,0|1,1,0]=4 2225 B19R2.112266 CC(C)CCC(C)NCc1nc2ccccc2o1 270004a_100000733820_100000210476 [0,1,1,0,0,0|1,1,0]=4 2226 B19R2.112266 CC(C)CCC(C)NCc1nc2ccccc2s1 2230a_100138410893_100000766747 [0,1,1,0,0,0|1,0,0]=3 2227 B19R2.112266 CC(C)CCC(C)NCc1nc2ccccc2s1 270004a_100138410893_100011204187 [0,1,1,0,0,0|1,0,0]=3 2228 B19R2.112266 CC(C)CCC(C)OCc1nc2ccccc2s1 34a_100011215350_100011217541 [0,1,1,0,0,0|2,0,0]=4 2229 B19R2.112266 CC(C)CCC(C)OCc1nc2ccccc2s1 7a_100011215350_100011217541 [0,1,1,0,0,0|2,0,0]=4 2230 B19R2.117586 CCCCC(CC)CNc1nc2ccccc2s1 27a_100000209976_100000751744 [0,1,1,0,0,0|2,0,0]=4 2231 B19R2.117586 CCCCC(CC)CSc1nc2ccccc2[nH]1 62a_100000211942_100009814255 [0,1,1,0,0,0|2,0,0]=4 2232 B19R2.117586 CCCCC(CC)NCc1cc2ccccc2s1 270004a_100015187092_100000753412 [0,1,1,0,0,0|2,0,0]=4 2233 B19R2.117586 CCCCC(CC)NCc1nc2ccccc2[nH]1 270004a_100000729406_100000753412 [0,1,1,0,0,0|2,0,0]=4 2234 B19R2.117586 CCCCC(CC)NCc1nc2ccccc2o1 270004a_100000733820_100000753412 [0,1,1,0,0,0|1,1,0]=4 2235 B19R2.117586 CCCCC(CC)OCc1nc2ccccc2s1 34a_100011215227_100011217541 [0,1,1,0,0,0|2,0,0]=4 2236 B19R2.117586 CCCCC(CC)OCc1nc2ccccc2s1 7a_100011215227_100011217541 [0,1,1,0,0,0|2,0,0]=4 2237 B19R2.117586 CCCC[C@@H](CO)NCc1cc2ccccc2s1 207a_100011934283_100000686906 [0,1,1,0,0,0|2,0,0]=4 2238 B19R2.117586 CCCC[C@@H](CO)NCc1cc2ccccc2s1 270004a_100011934283_100000686906 [0,1,1,0,0,0|2,0,0]=4 2239 B19R2.117586 CCCC[C@@H](CO)NCc1nc2ccccc2[nH]1 207a_100011934283_100000185668 [0,1,1,0,0,0|2,0,0]=4 2240 B19R2.117586 CCCC[C@@H](CO)NCc1nc2ccccc2[nH]1 2230a_100011934283_100000737899 [0,1,1,0,0,0|2,0,0]=4 2241 B19R2.117586 CCCC[C@@H](CO)NCc1nc2ccccc2[nH]1 270004a_100011934283_100000185668 [0,1,1,0,0,0|2,0,0]=4 2242 B19R2.117586 CCCC[C@@H](CO)NCc1nc2ccccc2o1 2230a_100011934283_100000195508 [0,1,1,0,0,0|1,1,0]=4 2243 B19R2.117586 CCCC[C@@H](CO)NCc1nc2ccccc2o1 34a_100011934283_200012361514 [0,1,1,0,0,0|1,1,0]=4 2244 B19R2.117586 CCCC[C@@H](CO)NCc1nc2ccccc2s1 2230a_100011934283_100000766747 [0,1,1,0,0,0|1,0,0]=3 2245 B19R2.117586 CCCC[C@@H](CO)NCc1nc2ccccc2s1 270004a_100011934283_100011204187 [0,1,1,0,0,0|1,0,0]=3 2246 B19R2.117586 CCCC[C@@H](CO)NCc1nc2ccccc2s1 34a_100011934283_100011217541 [0,1,1,0,0,0|1,0,0]=3 2247 B19R2.117586 CSCC[C@@H](CO)NCc1nc2ccccc2s1 2230a_100011827619_100000766747 [0,1,1,0,0,0|2,0,0]=4 2248 B19R2.117586 CSCC[C@@H](CO)NCc1nc2ccccc2s1 270004a_100011827619_100011204187 [0,1,1,0,0,0|2,0,0]=4 2249 B19R2.4701 CCCC(CC)NCc1cc2cc(ccc2s1)C 207a_100000747048_100000050833 [0,1,1,0,0,0|2,0,0]=4 2250 B19R2.4701 CCCC(CC)NCc1cc2cc(ccc2s1)C 270004a_100000747048_100000050833 [0,1,1,0,0,0|2,0,0]=4 2251 B19R2.4701 CCCC(CC)NCc1nc2cc(ccc2[nH]1)Br 2230a_100000747048_100000701424 [0,1,1,0,0,0|2,0,0]=4 2252 B19R2.4701 CCCC(CC)NCc1nc2cc(ccc2[nH]1)C 270004a_100000754707_100000687865 [0,1,1,0,0,0|2,0,0]=4 2253 B19R2.4701 CCCC(CC)NCc1nc2cc(ccc2[nH]1)Cl 2230a_100000747048_100000179801 [0,1,1,0,0,0|2,0,0]=4 2254 B19R2.4701 CCCC(CC)NCc1nc2cc(ccc2[nH]1)F 207a_100000747048_200011915233 [0,1,1,0,0,0|2,0,0]=4 2255 B19R2.4701 CCCC(CC)NCc1nc2cc(ccc2[nH]1)F 270004a_100000747048_200011915233 [0,1,1,0,0,0|2,0,0]=4 2256 B19R2.4701 CCCC(CC)NCc1nc2cc(ccc2o1)Br 2230a_100000747048_100000730559 [0,1,1,0,0,0|1,1,0]=4 2257 B19R2.4701 CCCC(CC)NCc1nc2cc(ccc2o1)C 2230a_100000747048_100011374149 [0,1,1,0,0,0|1,1,0]=4 2258 B19R2.4701 CCCC(CC)NCc1nc2cc(ccc2o1)Cl 2230a_100000747048_100011222916 [0,1,1,0,0,0|1,1,0]=4 2259 B19R2.4701 CCCC(CC)NCc1nc2cc(ccc2o1)F 2230a_100000747048_100000687093 [0,1,1,0,0,0|1,1,0]=4 2260 B19R2.4701 CCCC(CC)NCc1nc2ccc(cc2[nH]1)Br 207a_100000747048_200011361486 [0,1,1,0,0,0|2,0,0]=4 2261 B19R2.4701 CCCC(CC)NCc1nc2ccc(cc2[nH]1)Br 270004a_100000747048_200011361486 [0,1,1,0,0,0|2,0,0]=4 2262 B19R2.4701 CCCC(CC)NCc1nc2ccc(cc2[nH]1)C 2230a_100000747048_100020603265 [0,1,1,0,0,0|2,0,0]=4 2263 B19R2.4701 CCCC(CC)NCc1nc2ccc(cc2[nH]1)F 2230a_100000747048_200011347187 [0,1,1,0,0,0|2,0,0]=4 2264 B19R2.4701 CCCC(CC)NCc1nc2ccc(cc2o1)Br 2230a_100000747048_100000729449 [0,1,1,0,0,0|1,1,0]=4 2265 B19R2.4701 CCCC(CC)NCc1nc2ccc(cc2o1)C 2230a_100000747048_100011295139 [0,1,1,0,0,0|1,1,0]=4 2266 B19R2.4701 CCCC(CC)NCc1nc2ccc(cc2o1)F 2230a_100000747048_100000687025 [0,1,1,0,0,0|1,1,0]=4 2267 B19R2.4703 CCCC(CC)NCc1nc2ccccc2n1C 207a_100000747048_100000188960 [0,1,1,0,0,0|2,0,0]=4 2268 B19R2.4703 CCCC(CC)NCc1nc2ccccc2n1C 2230a_100000747048_100000748711 [0,1,1,0,0,0|2,0,0]=4 2269 B19R2.4703 CCCC(CC)NCc1nc2ccccc2n1C 270004a_100000700934_100000687865 [0,1,1,0,0,0|2,0,0]=4 2270 B19R2.4703 CCCC(CC)NCc1nc2ccccc2n1C 270004a_100000747048_100000188960 [0,1,1,0,0,0|2,0,0]=4 2271 B19R2.4703 CCCC(CC)NCc1sc2ccccc2c1C 207a_100000747048_100000038699 [0,1,1,0,0,0|2,0,0]=4 2272 B19R2.4703 CCCC(CC)NCc1sc2ccccc2c1C 270004a_100000747048_100000038699 [0,1,1,0,0,0|2,0,0]=4 2273 B19R2.4710 CCCC(CC)NCc1nc2c(cccc2[nH]1)C 270004a_100015183929_100000687865 [0,1,1,0,0,0|2,0,0]=4 2274 B19R2.4710 CCCC(CC)NCc1nc2c(cccc2[nH]1)F 270004a_100011347252_100000687865 [0,1,1,0,0,0|2,0,0]=4 2275 B19R2.4710 CCCC(CC)NCc1nc2c(cccc2o1)C 2230a_100000747048_100011397728 [0,1,1,0,0,0|1,1,0]=4 2276 B19R2.116019 CCC(COC)NC(C)c1nc2ccccc2s1 270004a_100000213967_100000757811 [0,1,1,0,0,0|2,0,0]=4 2277 B19R2.116019 CCCC(CC)NC(C)c1nc2ccccc2[nH]1 270004a_100000747048_100000199114 [0,1,1,0,0,0|2,0,0]=4 2278 B19R2.116019 CCCC(CC)NC(C)c1nc2ccccc2s1 270004a_100000213967_100000687865 [0,1,1,0,0,0|1,0,0]=3 2279 B19R2.116019 CCCC(CC)N[C@@H](C)c1nc2ccccc2[nH]1 270004a_100015206438_100000687865 [0,1,1,0,0,0|2,0,0]=4 2280 B19R2.119166 CCC(COC)N(C)Cc1nc2ccccc2s1 270004a_100000204650_100000757811 [0,1,1,0,0,0|2,0,0]=4 2281 B19R2.119166 CCCC(CC)C(=O)Cc1nc2ccccc2s1 1458a_100011416436_100011217541 [0,1,1,0,0,0|2,0,0]=4 2282 B19R2.119166 CCCC(CC)N(C)Cc1cc2ccccc2s1 269982a_100015183267_100011219200 [0,1,1,0,0,0|2,0,0]=4 2283 B19R2.119166 CCCC(CC)N(C)Cc1cc2ccccc2s1 270004a_100015183267_100000687865 [0,1,1,0,0,0|2,0,0]=4 2284 B19R2.119166 CCCC(CC)N(C)Cc1nc2ccccc2[nH]1 269982a_100000736437_100011219200 [0,1,1,0,0,0|2,0,0]=4 2285 B19R2.119166 CCCC(CC)N(C)Cc1nc2ccccc2[nH]1 270004a_100000736437_100000687865 [0,1,1,0,0,0|2,0,0]=4 2286 B19R2.119166 CCCC(CC)N(C)Cc1nc2ccccc2s1 269982a_100000204650_100011219200 [0,1,1,0,0,0|1,0,0]=3 2287 B19R2.119166 CCCC(CC)N(C)Cc1nc2ccccc2s1 270004a_100000204650_100000687865 [0,1,1,0,0,0|1,0,0]=3 2288 B19R2.121686 CCCC(CCC)NCc1cc2ccccc2s1 207a_100011207992_100000686906 [0,1,1,0,0,0|2,0,0]=4 2289 B19R2.121686 CCCC(CCC)NCc1cc2ccccc2s1 270004a_100011207992_100000686906 [0,1,1,0,0,0|2,0,0]=4 2290 B19R2.121686 CCCC(CCC)NCc1cc2ccccc2s1 270004a_100015187092_100000210088 [0,1,1,0,0,0|2,0,0]=4 2291 B19R2.121686 CCCC(CCC)NCc1nc2ccccc2[nH]1 207a_100011207992_100000185668 [0,1,1,0,0,0|2,0,0]=4 2292 B19R2.121686 CCCC(CCC)NCc1nc2ccccc2[nH]1 2230a_100011207992_100000737899 [0,1,1,0,0,0|2,0,0]=4 2293 B19R2.121686 CCCC(CCC)NCc1nc2ccccc2[nH]1 270004a_100000729406_100000210088 [0,1,1,0,0,0|2,0,0]=4 2294 B19R2.121686 CCCC(CCC)NCc1nc2ccccc2[nH]1 270004a_100011207992_100000185668 [0,1,1,0,0,0|2,0,0]=4 2295 B19R2.121686 CCCC(CCC)NCc1nc2ccccc2o1 2230a_100011207992_100000195508 [0,1,1,0,0,0|1,1,0]=4 2296 B19R2.121686 CCCC(CCC)NCc1nc2ccccc2o1 270004a_100000733820_100000210088 [0,1,1,0,0,0|1,1,0]=4 2297 B19R2.121686 CCCC(CCC)NCc1nc2ccccc2o1 34a_100011207992_200012361514 [0,1,1,0,0,0|1,1,0]=4 2298 B19R2.121686 CCCC(CCC)NCc1nc2ccccc2s1 2230a_100011207992_100000766747 [0,1,1,0,0,0|1,0,0]=3 2299 B19R2.121686 CCCC(CCC)NCc1nc2ccccc2s1 270004a_100011207992_100011204187 [0,1,1,0,0,0|1,0,0]=3 2300 B19R2.121686 CCCC(CCC)NCc1nc2ccccc2s1 34a_100011207992_100011217541 [0,1,1,0,0,0|1,0,0]=3 2301 B19R2.121686 CCCC(CCC)OCc1nc2ccccc2s1 34a_200011218534_100011217541 [0,1,1,0,0,0|2,0,0]=4 2302 B19R2.121686 CCCC(CCC)OCc1nc2ccccc2s1 7a_200011218534_100011217541 [0,1,1,0,0,0|2,0,0]=4 2303 B19R2.121686 CCC[C@@H](CCO)NCc1cc2ccccc2s1 207a_100015193777_100000686906 [0,1,1,0,0,0|2,0,0]=4 2304 B19R2.121686 CCC[C@@H](CCO)NCc1cc2ccccc2s1 270004a_100015193777_100000686906 [0,1,1,0,0,0|2,0,0]=4 2305 B19R2.121686 CCC[C@@H](CCO)NCc1nc2ccccc2[nH]1 207a_100015193777_100000185668 [0,1,1,0,0,0|2,0,0]=4 2306 B19R2.121686 CCC[C@@H](CCO)NCc1nc2ccccc2[nH]1 2230a_100015193777_100000737899 [0,1,1,0,0,0|2,0,0]=4 2307 B19R2.121686 CCC[C@@H](CCO)NCc1nc2ccccc2[nH]1 270004a_100015193777_100000185668 [0,1,1,0,0,0|2,0,0]=4 2308 B19R2.121686 CCC[C@@H](CCO)NCc1nc2ccccc2o1 2230a_100015193777_100000195508 [0,1,1,0,0,0|1,1,0]=4 2309 B19R2.121686 CCC[C@@H](CCO)NCc1nc2ccccc2o1 34a_100015193777_200012361514 [0,1,1,0,0,0|1,1,0]=4 2310 B19R2.121686 CCC[C@@H](CCO)NCc1nc2ccccc2s1 2230a_100015193777_100000766747 [0,1,1,0,0,0|1,0,0]=3 2311 B19R2.121686 CCC[C@@H](CCO)NCc1nc2ccccc2s1 270004a_100015193777_100011204187 [0,1,1,0,0,0|1,0,0]=3 2312 B19R2.121686 CCC[C@@H](CCO)NCc1nc2ccccc2s1 34a_100015193777_100011217541 [0,1,1,0,0,0|1,0,0]=3 2313 B19R2.121686 CCOC(CSc1nc2ccccc2s1)OCC 62a_100000210512_100000751744 [0,1,1,0,0,0|2,0,0]=4 2314 B19R2.121686 COCC(COC)NCc1nc2ccccc2s1 2230a_100011997029_100000766747 [0,1,1,0,0,0|2,0,0]=4 2315 B19R2.121686 COCC(COC)NCc1nc2ccccc2s1 270004a_100011997029_100011204187 [0,1,1,0,0,0|2,0,0]=4 2316 B19R2.123382 CCCC(C)(CC)OCc1nc2ccccc2s1 7a_200011215934_100011217541 [0,1,1,0,0,0|2,0,0]=4 2317 B19R2.124549 CC(C)C[C@@H](CO)NCc1nc2ccccc2s1 2230a_100011830311_100000766747 [0,1,1,0,0,0|2,0,0]=4 2318 B19R2.124549 CC(C)C[C@@H](CO)NCc1nc2ccccc2s1 270004a_100011830311_100011204187 [0,1,1,0,0,0|2,0,0]=4 2319 B19R2.124549 CC(C)C[C@@H](CO)NCc1nc2ccccc2s1 34a_100011830311_100011217541 [0,1,1,0,0,0|2,0,0]=4 2320 B19R2.203889 CC(C)C(CCO)NCc1nc2ccccc2s1 2230a_100161115045_100000766747 [0,1,1,0,0,0|2,0,0]=4 2321 B19R2.203889 CC(C)C(CCO)NCc1nc2ccccc2s1 270004a_100161115045_100011204187 [0,1,1,0,0,0|2,0,0]=4 2322 B19R2.203889 CC(C)C(CCO)NCc1nc2ccccc2s1 34a_100161115045_100011217541 [0,1,1,0,0,0|2,0,0]=4 2323 B19R2.203889 CCCC(OCc1nc2ccccc2s1)C(C)C 34a_200011215069_100011217541 [0,1,1,0,0,0|2,0,0]=4 2324 B19R2.203889 CCCC(OCc1nc2ccccc2s1)C(C)C 7a_200011215069_100011217541 [0,1,1,0,0,0|2,0,0]=4 2325 B19R2.203889 COCC(NCc1nc2ccccc2s1)C(C)C 2230a_100000760233_100000766747 [0,1,1,0,0,0|2,0,0]=4 2326 B19R2.203889 COCC(NCc1nc2ccccc2s1)C(C)C 270004a_100000760233_100011204187 [0,1,1,0,0,0|2,0,0]=4 2327 B19R2.209138 CC[C@H](C)[C@@H](CO)NCc1nc2ccccc2s1 2230a_100011827617_100000766747 [0,1,1,0,0,0|2,0,0]=4 2328 B19R2.209138 CC[C@H](C)[C@@H](CO)NCc1nc2ccccc2s1 270004a_100011827617_100011204187 [0,1,1,0,0,0|2,0,0]=4 2329 B19R2.1283 CCCCCCC=Cc1nc2cc(ccc2s1)N 271570a_200015348155_100010329861 [0,1,1,0,0,0|2,0,0]=4 2330 B19R2.1283 CCCCCCC=Cc1nc2ccc(cc2s1)N 271570a_200015348155_100010253933 [0,1,1,0,0,0|2,0,0]=4 2331 B19R2.1283 CCCCCCC=Cc1nc2ccc(cc2s1)O 271570a_200015348155_100010063415 [0,1,1,0,0,0|2,0,0]=4 2332 B19R2.1283 CCCCCCCNc1nc2cc(ccc2s1)F 27a_100000229938_200010206605 [0,1,1,0,0,0|2,0,0]=4 2333 B19R2.1283 CCCCCCCNc1nc2cc(ccc2s1)N 27a_100000229938_100010329861 [0,1,1,0,0,0|2,0,0]=4 2334 B19R2.1283 CCCCCCCNc1nc2ccc(cc2s1)C 27a_100000229938_100010186437 [0,1,1,0,0,0|2,0,0]=4 2335 B19R2.1283 CCCCCCCNc1nc2ccc(cc2s1)F 27a_100000229938_100000751617 [0,1,1,0,0,0|2,0,0]=4 2336 B19R2.1283 CCCCCCCNc1nc2ccc(cc2s1)N 27a_100000229938_100010253933 [0,1,1,0,0,0|2,0,0]=4 2337 B19R2.1283 CCCCCCCNc1nc2ccc(cc2s1)O 27a_100000229938_100010063415 [0,1,1,0,0,0|2,0,0]=4 2338 B19R2.1283 CCCCCCCSc1nc2cc(ccc2s1)N 62a_100000210614_100010329861 [0,1,1,0,0,0|1,0,0]=3 2339 B19R2.1283 CCCCCCCSc1nc2cc(ccc2s1)N 62a_100010329861_100000210316 [0,1,1,0,0,0|1,0,0]=3 2340 B19R2.1283 CCCCCCCSc1nc2ccc(cc2s1)N 62a_100000210614_100010253933 [0,1,1,0,0,0|1,0,0]=3 2341 B19R2.1283 CCCCCCCSc1nc2ccc(cc2s1)N 62a_100010253933_100000210316 [0,1,1,0,0,0|1,0,0]=3 2342 B19R2.1283 CCCCCCCSc1nc2ccc(nc2s1)F 62a_100000210614_200010738066 [0,1,1,0,0,0|2,0,0]=4 2343 B19R2.1283 CCCCCCCSc1nc2ccc(nc2s1)F 62a_200010738066_100000210316 [0,1,1,0,0,0|2,0,0]=4 2344 B19R2.1283 CCCCCCNCc1cc2cc(ccc2s1)C 207a_100000210581_100000050833 [0,1,1,0,0,0|2,0,0]=4 2345 B19R2.1283 CCCCCCNCc1cc2cc(ccc2s1)C 270004a_100000210581_100000050833 [0,1,1,0,0,0|2,0,0]=4 2346 B19R2.1283 CCCCCCNCc1nc2cc(ccc2[nH]1)Br 2230a_100000210581_100000701424 [0,1,1,0,0,0|2,0,0]=4 2347 B19R2.1283 CCCCCCNCc1nc2cc(ccc2[nH]1)Cl 2230a_100000210581_100000179801 [0,1,1,0,0,0|2,0,0]=4 2348 B19R2.1283 CCCCCCNCc1nc2cc(ccc2[nH]1)F 207a_100000210581_200011915233 [0,1,1,0,0,0|2,0,0]=4 2349 B19R2.1283 CCCCCCNCc1nc2cc(ccc2[nH]1)F 270004a_100000210581_200011915233 [0,1,1,0,0,0|2,0,0]=4 2350 B19R2.1283 CCCCCCNCc1nc2cc(ccc2o1)Br 2230a_100000210581_100000730559 [0,1,1,0,0,0|1,1,0]=4 2351 B19R2.1283 CCCCCCNCc1nc2cc(ccc2o1)C 2230a_100000210581_100011374149 [0,1,1,0,0,0|1,1,0]=4 2352 B19R2.1283 CCCCCCNCc1nc2cc(ccc2o1)Cl 2230a_100000210581_100011222916 [0,1,1,0,0,0|1,1,0]=4 2353 B19R2.1283 CCCCCCNCc1nc2cc(ccc2o1)F 2230a_100000210581_100000687093 [0,1,1,0,0,0|1,1,0]=4 2354 B19R2.1283 CCCCCCNCc1nc2ccc(cc2[nH]1)Br 207a_100000210581_200011361486 [0,1,1,0,0,0|2,0,0]=4 2355 B19R2.1283 CCCCCCNCc1nc2ccc(cc2[nH]1)Br 270004a_100000210581_200011361486 [0,1,1,0,0,0|2,0,0]=4 2356 B19R2.1283 CCCCCCNCc1nc2ccc(cc2[nH]1)C 2230a_100000210581_100020603265 [0,1,1,0,0,0|2,0,0]=4 2357 B19R2.1283 CCCCCCNCc1nc2ccc(cc2[nH]1)F 2230a_100000210581_200011347187 [0,1,1,0,0,0|2,0,0]=4 2358 B19R2.1283 CCCCCCNCc1nc2ccc(cc2o1)Br 2230a_100000210581_100000729449 [0,1,1,0,0,0|1,1,0]=4 2359 B19R2.1283 CCCCCCNCc1nc2ccc(cc2o1)C 2230a_100000210581_100011295139 [0,1,1,0,0,0|1,1,0]=4 2360 B19R2.1283 CCCCCCNCc1nc2ccc(cc2o1)F 2230a_100000210581_100000687025 [0,1,1,0,0,0|1,1,0]=4 2361 B19R2.1283 CCCCOCCSc1nc2cc(ccc2s1)F 62a_100000743108_200010206605 [0,1,1,0,0,0|2,0,0]=4 2362 B19R2.1283 CCCCOCCSc1nc2cc(ccc2s1)F 62a_200010206605_100000743108 [0,1,1,0,0,0|2,0,0]=4 2363 B19R2.1283 CCCCOCCSc1nc2cc(ccc2s1)N 62a_100000743108_100010329861 [0,1,1,0,0,0|2,0,0]=4 2364 B19R2.1283 CCCCOCCSc1nc2cc(ccc2s1)N 62a_100010329861_100000743108 [0,1,1,0,0,0|2,0,0]=4 2365 B19R2.1283 CCCCOCCSc1nc2ccc(cc2s1)C 62a_100000743108_100010186437 [0,1,1,0,0,0|2,0,0]=4 2366 B19R2.1283 CCCCOCCSc1nc2ccc(cc2s1)F 62a_100000743108_100000751617 [0,1,1,0,0,0|2,0,0]=4 2367 B19R2.1283 CCCCOCCSc1nc2ccc(cc2s1)F 62a_100000751617_100000743108 [0,1,1,0,0,0|2,0,0]=4 2368 B19R2.1283 CCCCOCCSc1nc2ccc(cc2s1)N 62a_100000743108_100010253933 [0,1,1,0,0,0|2,0,0]=4 2369 B19R2.1283 CCCCOCCSc1nc2ccc(cc2s1)N 62a_100010253933_100000743108 [0,1,1,0,0,0|2,0,0]=4 2370 B19R2.1283 CCCCOCCSc1nc2ccc(cc2s1)O 62a_100000743108_100010063415 [0,1,1,0,0,0|2,0,0]=4 2371 B19R2.1283 Cc1ccc2nc(sc2c1)SCCCCCCO 62a_100000766143_100010186437 [0,1,1,0,0,0|2,0,0]=4 2372 B19R2.1283 Nc1ccc2nc(sc2c1)SCCCCCCF 62a_100010253933_100015922095 [0,1,1,0,0,0|2,0,0]=4 2373 B19R2.1283 Nc1ccc2nc(sc2c1)SCCCCCCF 62a_100015922095_100010253933 [0,1,1,0,0,0|2,0,0]=4 2374 B19R2.1283 Nc1ccc2nc(sc2c1)SCCCCCCO 62a_100000766143_100010253933 [0,1,1,0,0,0|2,0,0]=4 2375 B19R2.1283 Nc1ccc2nc(sc2c1)SCCCCCCO 62a_100010253933_100000766143 [0,1,1,0,0,0|2,0,0]=4 2376 B19R2.1283 Nc1ccc2sc(nc2c1)SCCCCCCF 62a_100010329861_100015922095 [0,1,1,0,0,0|2,0,0]=4 2377 B19R2.1283 Nc1ccc2sc(nc2c1)SCCCCCCF 62a_100015922095_100010329861 [0,1,1,0,0,0|2,0,0]=4 2378 B19R2.1283 Nc1ccc2sc(nc2c1)SCCCCCCO 62a_100000766143_100010329861 [0,1,1,0,0,0|2,0,0]=4 2379 B19R2.1283 Nc1ccc2sc(nc2c1)SCCCCCCO 62a_100010329861_100000766143 [0,1,1,0,0,0|2,0,0]=4 2380 B19R2.1283 OCCCCCCSc1nc2cc(ccc2s1)F 62a_100000766143_200010206605 [0,1,1,0,0,0|2,0,0]=4 2381 B19R2.1283 OCCCCCCSc1nc2cc(ccc2s1)F 62a_200010206605_100000766143 [0,1,1,0,0,0|2,0,0]=4 2382 B19R2.1283 OCCCCCCSc1nc2ccc(cc2s1)F 62a_100000751617_100000766143 [0,1,1,0,0,0|2,0,0]=4 2383 B19R2.1283 OCCCCCCSc1nc2ccc(cc2s1)F 62a_100000766143_100000751617 [0,1,1,0,0,0|2,0,0]=4 2384 B19R2.1283 OCCCCCCSc1nc2ccc(cc2s1)O 62a_100000766143_100010063415 [0,1,1,0,0,0|2,0,0]=4 2385 B19R2.1283 Oc1ccc2nc(sc2c1)SCCCCCCF 62a_100015922095_100010063415 [0,1,1,0,0,0|2,0,0]=4 2386 B19R2.1288 CCCCCCCNc1nc2c(cccc2s1)C 27a_100000229938_100010008827 [0,1,1,0,0,0|2,0,0]=4 2387 B19R2.1288 CCCCCCCNc1nc2c(cccc2s1)F 27a_100000229938_100010008856 [0,1,1,0,0,0|2,0,0]=4 2388 B19R2.1288 CCCCCCNCc1nc2c(cccc2o1)C 2230a_100000210581_100011397728 [0,1,1,0,0,0|1,1,0]=4 2389 B19R2.1288 CCCCOCCSc1nc2c(cccc2s1)C 62a_100000743108_100010008827 [0,1,1,0,0,0|2,0,0]=4 2390 B19R2.1288 CCCCOCCSc1nc2c(cccc2s1)F 62a_100000743108_100010008856 [0,1,1,0,0,0|2,0,0]=4 2391 B19R2.1288 Cc1cccc2c1nc(s2)SCCCCCCO 62a_100000766143_100010008827 [0,1,1,0,0,0|2,0,0]=4 2392 B19R2.1288 OCCCCCCSc1nc2c(cccc2s1)F 62a_100000766143_100010008856 [0,1,1,0,0,0|2,0,0]=4 2393 B19R2.1549 CCCCC(=O)CCSc1nc2ccccc2s1 1458a_100000197518_100000210211 [0,1,1,0,0,0|1,0,1]=4 2394 B19R2.1549 CCCCC(C)COCc1nc2ccccc2s1 34a_100011995851_100011217541 [0,1,1,0,0,0|2,0,0]=4 2395 B19R2.1549 CCCCC(C)COCc1nc2ccccc2s1 7a_100011995851_100011217541 [0,1,1,0,0,0|2,0,0]=4 2396 B19R2.1549 CCCC[C@H](N)COCc1nc2ccccc2s1 34a_100011934283_100011217541 [0,1,1,0,0,0|2,0,0]=4 2397 B19R2.1549 CCCOC(C)CNCc1nc2ccccc2s1 2230a_100015185124_100000766747 [0,1,1,0,0,0|2,0,0]=4 2398 B19R2.1549 CCCOC(C)CNCc1nc2ccccc2s1 270004a_100015185124_100011204187 [0,1,1,0,0,0|2,0,0]=4 2399 B19R2.1549 CCCOC(C)CNCc1nc2ccccc2s1 34a_100015185124_100011217541 [0,1,1,0,0,0|2,0,0]=4 2400 B19R2.1549 CCOCC(O)CNCc1nc2ccccc2s1 2230a_102515437182_100000766747 [0,1,1,0,0,0|2,0,0]=4 2401 B19R2.1549 CCOCC(O)CNCc1nc2ccccc2s1 270004a_102515437182_100011204187 [0,1,1,0,0,0|2,0,0]=4 2402 B19R2.1549 CCOCC(O)CNCc1nc2ccccc2s1 34a_102515437182_100011217541 [0,1,1,0,0,0|2,0,0]=4 2403 B19R2.1549 C[C@H](CCCO)CNCc1nc2ccccc2s1 2230a_100160569302_100000766747 [0,1,1,0,0,0|2,0,0]=4 2404 B19R2.1549 C[C@H](CCCO)CNCc1nc2ccccc2s1 270004a_100160569302_100011204187 [0,1,1,0,0,0|2,0,0]=4 2405 B19R2.1549 C[C@H](CCCO)CNCc1nc2ccccc2s1 34a_100160569302_100011217541 [0,1,1,0,0,0|2,0,0]=4 2406 B19R2.9156 CCCCCCCSc1nc2ccccc2n1C 62a_100000210614_200000239431 [0,1,1,0,0,0|2,0,0]=4 2407 B19R2.9156 CCCCCCCSc1nc2ccccc2n1C 62a_200000239431_100000210316 [0,1,1,0,0,0|2,0,0]=4 2408 B19R2.9156 CCCCCCNCc1nc2ccccc2n1C 207a_100000210581_100000188960 [0,1,1,0,0,0|2,0,0]=4 2409 B19R2.9156 CCCCCCNCc1nc2ccccc2n1C 2230a_100000210581_100000748711 [0,1,1,0,0,0|2,0,0]=4 2410 B19R2.9156 CCCCCCNCc1nc2ccccc2n1C 270004a_100000210581_100000188960 [0,1,1,0,0,0|2,0,0]=4 2411 B19R2.9156 CCCCCCNCc1sc2ccccc2c1C 207a_100000210581_100000038699 [0,1,1,0,0,0|2,0,0]=4 2412 B19R2.9156 CCCCCCNCc1sc2ccccc2c1C 270004a_100000210581_100000038699 [0,1,1,0,0,0|2,0,0]=4 2413 B19R2.10536 CCCC(C)CCOCc1nc2ccccc2s1 34a_100011217855_100011217541 [0,1,1,0,0,0|2,0,0]=4 2414 B19R2.10536 CCCC(C)CCOCc1nc2ccccc2s1 7a_100011217855_100011217541 [0,1,1,0,0,0|2,0,0]=4 2415 B19R2.10536 CCC[C@H](N)CCOCc1nc2ccccc2s1 34a_100015193777_100011217541 [0,1,1,0,0,0|2,0,0]=4 2416 B19R2.12592 CCC(C)CCCOCc1nc2ccccc2s1 7a_100011216074_100011217541 [0,1,1,0,0,0|2,0,0]=4 2417 B19R2.13041 BrCCCCCCOCc1nc2ccccc2s1 34a_100011215345_100011217541 [0,1,1,0,0,0|2,0,0]=4 2418 B19R2.13041 BrCCCCCCOCc1nc2ccccc2s1 7a_100011215345_100011217541 [0,1,1,0,0,0|2,0,0]=4 2419 B19R2.13041 C#CCCCCCCSc1nc2ccccc2s1 62a_100012276617_100000751744 [0,1,1,0,0,0|1,0,1]=4 2420 B19R2.13041 CCCCCC#CCSc1nc2ccccc2s1 62a_100009816472_100000751744 [0,1,1,0,0,0|1,0,1]=4 2421 B19R2.13041 CCCCCCC=NNc1nc2ccccc2s1 4a_100000181811_100000234349 [0,1,1,0,0,0|1,0,1]=4 2422 B19R2.13041 CCCCCCCNCc1cc2ccccc2s1 207a_100000229938_100000686906 [0,1,1,0,0,0|2,0,0]=4 2423 B19R2.13041 CCCCCCCNCc1cc2ccccc2s1 2230a_100015187092_100000210681 [0,1,1,0,0,0|2,0,0]=4 2424 B19R2.13041 CCCCCCCNCc1cc2ccccc2s1 270004a_100000229938_100000686906 [0,1,1,0,0,0|2,0,0]=4 2425 B19R2.13041 CCCCCCCNCc1nc2ccccc2[nH]1 207a_100000229938_100000185668 [0,1,1,0,0,0|2,0,0]=4 2426 B19R2.13041 CCCCCCCNCc1nc2ccccc2[nH]1 2230a_100000229938_100000737899 [0,1,1,0,0,0|2,0,0]=4 2427 B19R2.13041 CCCCCCCNCc1nc2ccccc2[nH]1 270004a_100000229938_100000185668 [0,1,1,0,0,0|2,0,0]=4 2428 B19R2.13041 CCCCCCCNCc1nc2ccccc2o1 2230a_100000229938_100000195508 [0,1,1,0,0,0|1,1,0]=4 2429 B19R2.13041 CCCCCCCNCc1nc2ccccc2s1 2230a_100000229938_100000766747 [0,1,1,0,0,0|1,0,0]=3 2430 B19R2.13041 CCCCCCCNCc1nc2ccccc2s1 270004a_100000229938_100011204187 [0,1,1,0,0,0|1,0,0]=3 2431 B19R2.13041 CCCCCCCOCc1nc2ccccc2s1 34a_100000210272_100011217541 [0,1,1,0,0,0|1,1,0]=4 2432 B19R2.13041 CCCCCCCOCc1nc2ccccc2s1 7a_100000210272_100011217541 [0,1,1,0,0,0|1,1,0]=4 2433 B19R2.13041 CCCCCCCSCc1nc2ccccc2[nH]1 62a_100000210614_100000737899 [0,1,1,0,0,0|2,0,0]=4 2434 B19R2.13041 CCCCOCCCNc1nc2ccccc2s1 27a_200000211371_100000751744 [0,1,1,0,0,0|2,0,0]=4 2435 B19R2.13041 CCCCOCCNCc1cc2ccccc2s1 2230a_100015187092_100000743108 [0,1,1,0,0,0|2,0,0]=4 2436 B19R2.13041 CCCCOCCOCc1nc2ccccc2s1 34a_100000210238_100011217541 [0,1,1,0,0,0|2,0,0]=4 2437 B19R2.13041 CCCCOCCOCc1nc2ccccc2s1 7a_100000210238_100011217541 [0,1,1,0,0,0|2,0,0]=4 2438 B19R2.13041 CCCCOCCSCc1nc2ccccc2s1 62a_100000743108_100000766747 [0,1,1,0,0,0|2,0,0]=4 2439 B19R2.13041 CCCCOCCSCc1nc2ccccc2s1 62a_100011217541_100000743108 [0,1,1,0,0,0|2,0,0]=4 2440 B19R2.13041 CCCCSCCNCc1cc2ccccc2s1 207a_100025743550_100000686906 [0,1,1,0,0,0|2,0,0]=4 2441 B19R2.13041 CCCCSCCNCc1cc2ccccc2s1 270004a_100025743550_100000686906 [0,1,1,0,0,0|2,0,0]=4 2442 B19R2.13041 CCCCSCCNCc1nc2ccccc2[nH]1 207a_100025743550_100000185668 [0,1,1,0,0,0|2,0,0]=4 2443 B19R2.13041 CCCCSCCNCc1nc2ccccc2[nH]1 2230a_100025743550_100000737899 [0,1,1,0,0,0|2,0,0]=4 2444 B19R2.13041 CCCCSCCNCc1nc2ccccc2[nH]1 270004a_100025743550_100000185668 [0,1,1,0,0,0|2,0,0]=4 2445 B19R2.13041 CCCCSCCNCc1nc2ccccc2o1 2230a_100025743550_100000195508 [0,1,1,0,0,0|1,1,0]=4 2446 B19R2.13041 CCCCSCCNCc1nc2ccccc2s1 2230a_100025743550_100000766747 [0,1,1,0,0,0|1,0,0]=3 2447 B19R2.13041 CCCCSCCNCc1nc2ccccc2s1 270004a_100025743550_100011204187 [0,1,1,0,0,0|1,0,0]=3 2448 B19R2.13041 CCCCSCCOCc1nc2ccccc2s1 34a_200000230436_100011217541 [0,1,1,0,0,0|2,0,0]=4 2449 B19R2.13041 CCCCSCCOCc1nc2ccccc2s1 7a_200000230436_100011217541 [0,1,1,0,0,0|2,0,0]=4 2450 B19R2.13041 CCCOCCCNCc1cc2ccccc2s1 207a_100011217757_100000686906 [0,1,1,0,0,0|2,0,0]=4 2451 B19R2.13041 CCCOCCCNCc1cc2ccccc2s1 270004a_100011217757_100000686906 [0,1,1,0,0,0|2,0,0]=4 2452 B19R2.13041 CCCOCCCNCc1nc2ccccc2[nH]1 207a_100011217757_100000185668 [0,1,1,0,0,0|2,0,0]=4 2453 B19R2.13041 CCCOCCCNCc1nc2ccccc2[nH]1 2230a_100011217757_100000737899 [0,1,1,0,0,0|2,0,0]=4 2454 B19R2.13041 CCCOCCCNCc1nc2ccccc2[nH]1 270004a_100011217757_100000185668 [0,1,1,0,0,0|2,0,0]=4 2455 B19R2.13041 CCCOCCCNCc1nc2ccccc2o1 2230a_100011217757_100000195508 [0,1,1,0,0,0|1,1,0]=4 2456 B19R2.13041 CCCOCCCNCc1nc2ccccc2o1 34a_100011217757_200012361514 [0,1,1,0,0,0|1,1,0]=4 2457 B19R2.13041 CCCOCCCNCc1nc2ccccc2s1 2230a_100011217757_100000766747 [0,1,1,0,0,0|1,0,0]=3 2458 B19R2.13041 CCCOCCCNCc1nc2ccccc2s1 270004a_100011217757_100011204187 [0,1,1,0,0,0|1,0,0]=3 2459 B19R2.13041 CCCOCCCNCc1nc2ccccc2s1 34a_100011217757_100011217541 [0,1,1,0,0,0|1,0,0]=3 2460 B19R2.13041 CCOCCOCCSc1nc2ccccc2s1 62a_100011211534_100000751744 [0,1,1,0,0,0|2,0,0]=4 2461 B19R2.13041 CNCCCCCOCc1nc2ccccc2s1 34a_100000722520_100011217541 [0,1,1,0,0,0|2,0,0]=4 2462 B19R2.13041 COCCCCCCSc1nc2ccccc2[nH]1 62a_100011998445_100009814255 [0,1,1,0,0,0|2,0,0]=4 2463 B19R2.13041 COCCCCCCSc1nc2ccccc2s1 62a_100011998445_100000751744 [0,1,1,0,0,0|1,0,0]=3 2464 B19R2.13041 COCCCCCCSc1nc2cccnc2s1 62a_100010188088_100011998445 [0,1,1,0,0,0|2,0,0]=4 2465 B19R2.13041 COCCCCCCSc1nc2cccnc2s1 62a_100011998445_100010188088 [0,1,1,0,0,0|2,0,0]=4 2466 B19R2.13041 COCCCCCNCc1cc2ccccc2s1 207a_100000747528_100000686906 [0,1,1,0,0,0|2,0,0]=4 2467 B19R2.13041 COCCCCCNCc1cc2ccccc2s1 270004a_100000747528_100000686906 [0,1,1,0,0,0|2,0,0]=4 2468 B19R2.13041 COCCCCCNCc1nc2ccccc2[nH]1 207a_100000747528_100000185668 [0,1,1,0,0,0|2,0,0]=4 2469 B19R2.13041 COCCCCCNCc1nc2ccccc2[nH]1 2230a_100000747528_100000737899 [0,1,1,0,0,0|2,0,0]=4 2470 B19R2.13041 COCCCCCNCc1nc2ccccc2[nH]1 270004a_100000747528_100000185668 [0,1,1,0,0,0|2,0,0]=4 2471 B19R2.13041 COCCCCCNCc1nc2ccccc2o1 2230a_100000747528_100000195508 [0,1,1,0,0,0|1,1,0]=4 2472 B19R2.13041 COCCCCCNCc1nc2ccccc2o1 34a_100000747528_200012361514 [0,1,1,0,0,0|1,1,0]=4 2473 B19R2.13041 COCCCCCNCc1nc2ccccc2s1 2230a_100000747528_100000766747 [0,1,1,0,0,0|1,0,0]=3 2474 B19R2.13041 COCCCCCNCc1nc2ccccc2s1 270004a_100000747528_100011204187 [0,1,1,0,0,0|1,0,0]=3 2475 B19R2.13041 COCCCCCNCc1nc2ccccc2s1 34a_100000747528_100011217541 [0,1,1,0,0,0|1,0,0]=3 2476 B19R2.13041 COCCOCCCSc1nc2ccccc2s1 62a_100011216529_100000751744 [0,1,1,0,0,0|2,0,0]=4 2477 B19R2.13041 COCCOCCNCc1nc2ccccc2s1 2230a_100000745349_100000766747 [0,1,1,0,0,0|2,0,0]=4 2478 B19R2.13041 COCCOCCNCc1nc2ccccc2s1 270004a_100000745349_100011204187 [0,1,1,0,0,0|2,0,0]=4 2479 B19R2.13041 COCCOCCNCc1nc2ccccc2s1 34a_100000745349_100011217541 [0,1,1,0,0,0|2,0,0]=4 2480 B19R2.13041 ClCCCCCCOCc1nc2ccccc2s1 34a_100000766143_100011217541 [0,1,1,0,0,0|2,0,0]=4 2481 B19R2.13041 ClCCCCCCOCc1nc2ccccc2s1 7a_100000766143_100011217541 [0,1,1,0,0,0|2,0,0]=4 2482 B19R2.13041 FCCCCCCNCc1cc2ccccc2s1 2230a_100015187092_100015922095 [0,1,1,0,0,0|2,0,0]=4 2483 B19R2.13041 FCCCCCCOCc1nc2ccccc2s1 34a_100000732779_100011217541 [0,1,1,0,0,0|2,0,0]=4 2484 B19R2.13041 FCCCCCCOCc1nc2ccccc2s1 7a_100000732779_100011217541 [0,1,1,0,0,0|2,0,0]=4 2485 B19R2.13041 N#CCCCCCCSc1nc2ccccc2s1 62a_100009813337_100000751744 [0,1,1,0,0,0|1,0,1]=4 2486 B19R2.13041 N#CCCCCCNCc1nc2ccccc2s1 270004a_100000061152_100011204187 [0,1,1,0,0,0|1,0,1]=4 2487 B19R2.13041 NCCCCCCOCc1nc2ccccc2s1 34a_100000686447_100011217541 [0,1,1,0,0,0|2,0,0]=4 2488 B19R2.13041 OCCCCCCCNc1nc2ccccc2s1 27a_100011996573_100000751744 [0,1,1,0,0,0|2,0,0]=4 2489 B19R2.13041 OCCCCCCCSc1cc2ccccc2s1 62a_100000760002_100009816949 [0,1,1,0,0,0|2,0,0]=4 2490 B19R2.13041 OCCCCCCCSc1nc2ccccc2[nH]1 62a_100000760002_100009814255 [0,1,1,0,0,0|2,0,0]=4 2491 B19R2.13041 OCCCCCCCSc1nc2ccccc2s1 62a_100000760002_100000751744 [0,1,1,0,0,0|1,0,0]=3 2492 B19R2.13041 OCCCCCCCSc1nc2cccnc2s1 62a_100000760002_100010188088 [0,1,1,0,0,0|2,0,0]=4 2493 B19R2.13041 OCCCCCCCSc1nc2cccnc2s1 62a_100010188088_100000760002 [0,1,1,0,0,0|2,0,0]=4 2494 B19R2.13041 OCCCCCCNCc1cc2ccccc2s1 207a_100000686447_100000686906 [0,1,1,0,0,0|2,0,0]=4 2495 B19R2.13041 OCCCCCCNCc1cc2ccccc2s1 2230a_100015187092_100000766143 [0,1,1,0,0,0|2,0,0]=4 2496 B19R2.13041 OCCCCCCNCc1cc2ccccc2s1 270004a_100000686447_100000686906 [0,1,1,0,0,0|2,0,0]=4 2497 B19R2.13041 OCCCCCCNCc1nc2ccccc2[nH]1 207a_100000686447_100000185668 [0,1,1,0,0,0|2,0,0]=4 2498 B19R2.13041 OCCCCCCNCc1nc2ccccc2[nH]1 2230a_100000686447_100000737899 [0,1,1,0,0,0|2,0,0]=4 2499 B19R2.13041 OCCCCCCNCc1nc2ccccc2[nH]1 270004a_100000686447_100000185668 [0,1,1,0,0,0|2,0,0]=4 2500 B19R2.13041 OCCCCCCNCc1nc2ccccc2o1 2230a_100000686447_100000195508 [0,1,1,0,0,0|1,1,0]=4 2501 B19R2.13041 OCCCCCCNCc1nc2ccccc2o1 34a_100000686447_200012361514 [0,1,1,0,0,0|1,1,0]=4 2502 B19R2.13041 OCCCCCCNCc1nc2ccccc2s1 2230a_100000686447_100000766747 [0,1,1,0,0,0|1,0,0]=3 2503 B19R2.13041 OCCCCCCNCc1nc2ccccc2s1 270004a_100000686447_100011204187 [0,1,1,0,0,0|1,0,0]=3 2504 B19R2.13041 OCCCCCCNCc1nc2ccccc2s1 34a_100000686447_100011217541 [0,1,1,0,0,0|1,0,0]=3 2505 B19R2.13041 OCCCCCCSCc1nc2ccccc2s1 62a_100000766143_100000766747 [0,1,1,0,0,0|2,0,0]=4 2506 B19R2.13041 OCCCCCCSCc1nc2ccccc2s1 62a_100011217541_100000766143 [0,1,1,0,0,0|2,0,0]=4 2507 B19R2.13487 CC(C)CCCCCNc1nc2ccccc2s1 27a_100011290863_100000751744 [0,1,1,0,0,0|2,0,0]=4 2508 B19R2.13487 CC(C)CCCCCSc1nc2ccccc2[nH]1 62a_100000210682_100009814255 [0,1,1,0,0,0|2,0,0]=4 2509 B19R2.13487 CC(C)CCCCNCc1cc2ccccc2s1 2230a_100015187092_100011216152 [0,1,1,0,0,0|2,0,0]=4 2510 B19R2.13487 CC(C)CCCCOCc1nc2ccccc2s1 34a_100011214890_100011217541 [0,1,1,0,0,0|2,0,0]=4 2511 B19R2.13487 CC(C)CCCCOCc1nc2ccccc2s1 7a_100011214890_100011217541 [0,1,1,0,0,0|2,0,0]=4 2512 B19R2.13487 CC(C)OCCCNCc1nc2ccccc2s1 2230a_100000737246_100000766747 [0,1,1,0,0,0|2,0,0]=4 2513 B19R2.13487 CC(C)OCCCNCc1nc2ccccc2s1 270004a_100000737246_100011204187 [0,1,1,0,0,0|2,0,0]=4 2514 B19R2.13487 CC(C)OCCCNCc1nc2ccccc2s1 34a_100000737246_100011217541 [0,1,1,0,0,0|2,0,0]=4 2515 B19R2.20961 CCCCCCC(=O)Cc1nc2ccccc2s1 1458a_100102632555_100011217541 [0,1,1,0,0,0|2,0,0]=4 2516 B19R2.20961 CCCCCCN(C)Cc1cc2ccccc2s1 2230a_100015183267_100000210314 [0,1,1,0,0,0|2,0,0]=4 2517 B19R2.20961 CCCCCCN(C)Cc1cc2ccccc2s1 269982a_100015183267_100000210757 [0,1,1,0,0,0|2,0,0]=4 2518 B19R2.20961 CCCCCCN(C)Cc1cc2ccccc2s1 270004a_106256046315_100000686906 [0,1,1,0,0,0|2,0,0]=4 2519 B19R2.20961 CCCCCCN(C)Cc1nc2ccccc2[nH]1 2230a_100000736437_100000210314 [0,1,1,0,0,0|2,0,0]=4 2520 B19R2.20961 CCCCCCN(C)Cc1nc2ccccc2[nH]1 2230a_106256046315_100000737899 [0,1,1,0,0,0|2,0,0]=4 2521 B19R2.20961 CCCCCCN(C)Cc1nc2ccccc2[nH]1 269982a_100000736437_100000210757 [0,1,1,0,0,0|2,0,0]=4 2522 B19R2.20961 CCCCCCN(C)Cc1nc2ccccc2[nH]1 269982a_106256046315_100000737899 [0,1,1,0,0,0|2,0,0]=4 2523 B19R2.20961 CCCCCCN(C)Cc1nc2ccccc2[nH]1 270004a_106256046315_100000185668 [0,1,1,0,0,0|2,0,0]=4 2524 B19R2.20961 CCCCCCN(C)Cc1nc2ccccc2o1 2230a_106256046315_100000195508 [0,1,1,0,0,0|1,1,0]=4 2525 B19R2.20961 CCCCCCN(C)Cc1nc2ccccc2s1 2230a_100000204650_100000210314 [0,1,1,0,0,0|1,0,0]=3 2526 B19R2.20961 CCCCCCN(C)Cc1nc2ccccc2s1 2230a_106256046315_100000766747 [0,1,1,0,0,0|1,0,0]=3 2527 B19R2.20961 CCCCCCN(C)Cc1nc2ccccc2s1 269982a_100000204650_100000210757 [0,1,1,0,0,0|1,0,0]=3 2528 B19R2.20961 CCCCCCN(C)Cc1nc2ccccc2s1 269982a_106256046315_100011217541 [0,1,1,0,0,0|1,0,0]=3 2529 B19R2.20961 CCCCCCN(C)Cc1nc2ccccc2s1 270004a_106256046315_100011204187 [0,1,1,0,0,0|1,0,0]=3 2530 B19R2.20961 CCCCOCN(C)Cc1nc2ccccc2s1 2230a_100000204650_100011995733 [0,1,1,0,0,0|2,0,0]=4 2531 B19R2.20961 CCCCOCN(C)Cc1nc2ccccc2s1 269982a_100000204650_100011995733 [0,1,1,0,0,0|2,0,0]=4 2532 B19R2.20961 CCCOCCN(C)Cc1nc2ccccc2s1 2230a_100000204650_100011215938 [0,1,1,0,0,0|2,0,0]=4 2533 B19R2.20961 CCCOCCN(C)Cc1nc2ccccc2s1 269982a_100000204650_100011215938 [0,1,1,0,0,0|2,0,0]=4 2534 B19R2.20961 CCOCCCN(C)Cc1nc2ccccc2s1 2230a_100000204650_100012232248 [0,1,1,0,0,0|2,0,0]=4 2535 B19R2.20961 CCOCCCN(C)Cc1nc2ccccc2s1 269982a_100000204650_100012232248 [0,1,1,0,0,0|2,0,0]=4 2536 B19R2.20961 CN(CCCCCF)Cc1nc2ccccc2s1 2230a_100000204650_100000729378 [0,1,1,0,0,0|2,0,0]=4 2537 B19R2.20961 CN(CCCCCF)Cc1nc2ccccc2s1 269982a_100000204650_100000729378 [0,1,1,0,0,0|2,0,0]=4 2538 B19R2.20961 CN(CCCCCO)Cc1nc2ccccc2s1 2230a_100000204650_100000746330 [0,1,1,0,0,0|2,0,0]=4 2539 B19R2.20961 CN(CCCCCO)Cc1nc2ccccc2s1 2230a_100000722520_100000766747 [0,1,1,0,0,0|2,0,0]=4 2540 B19R2.20961 CN(CCCCCO)Cc1nc2ccccc2s1 269982a_100000204650_100000746330 [0,1,1,0,0,0|2,0,0]=4 2541 B19R2.20961 CN(CCCCCO)Cc1nc2ccccc2s1 269982a_100000722520_100011217541 [0,1,1,0,0,0|2,0,0]=4 2542 B19R2.20961 CN(CCCCCO)Cc1nc2ccccc2s1 270004a_100000722520_100011204187 [0,1,1,0,0,0|2,0,0]=4 2543 B19R2.20961 COCCCCN(C)Cc1nc2ccccc2s1 2230a_100000204650_100000730899 [0,1,1,0,0,0|2,0,0]=4 2544 B19R2.20961 COCCCCN(C)Cc1nc2ccccc2s1 269982a_100000204650_100000730899 [0,1,1,0,0,0|2,0,0]=4 2545 B19R2.52042 CC(NCCCCCF)c1nc2ccccc2s1 2230a_100000213967_100000729378 [0,1,1,0,0,0|2,0,0]=4 2546 B19R2.52042 CC(NCCCCCO)c1nc2ccccc2s1 2230a_100000213967_100000746330 [0,1,1,0,0,0|2,0,0]=4 2547 B19R2.52042 CCCCCCCN(C)c1nc2ccccc2s1 27a_100000228206_100000751744 [0,1,1,0,0,0|2,0,0]=4 2548 B19R2.52042 CCCCCCNC(C)c1nc2ccccc2[nH]1 270004a_100000210581_100000199114 [0,1,1,0,0,0|2,0,0]=4 2549 B19R2.52042 CCCCCCNC(C)c1nc2ccccc2s1 2230a_100000213967_100000210314 [0,1,1,0,0,0|1,0,0]=3 2550 B19R2.52042 CCCCCCN[C@@H](C)c1nc2ccccc2[nH]1 2230a_100015206438_100000210314 [0,1,1,0,0,0|2,0,0]=4 2551 B19R2.52042 CCCCOCNC(C)c1nc2ccccc2s1 2230a_100000213967_100011995733 [0,1,1,0,0,0|2,0,0]=4 2552 B19R2.52042 CCCOCCNC(C)c1nc2ccccc2s1 2230a_100000213967_100011215938 [0,1,1,0,0,0|2,0,0]=4 2553 B19R2.52042 CCOCCCNC(C)c1nc2ccccc2s1 2230a_100000213967_100012232248 [0,1,1,0,0,0|2,0,0]=4 2554 B19R2.52042 COCCCCNC(C)c1nc2ccccc2s1 2230a_100000213967_100000730899 [0,1,1,0,0,0|2,0,0]=4 2555 B19R3.6053 Brc1c(sc2c1cccc2)CNC3CCCC3 207a_100000211070_100009816528 [0,1,0,0,1,0|2,0,0]=4 2556 B19R3.6053 Cc1c(sc2c1cccc2)CNC3CCCC3 207a_100000211070_100000038699 [0,1,0,0,1,0|2,0,0]=4 2557 B19R3.6053 Cc1c(sc2c1cccc2)CNC3CCCC3 270004a_100000211070_100000038699 [0,1,0,0,1,0|2,0,0]=4 2558 B19R3.6053 Clc1c(sc2c1cccc2)CNC3CCCC3 207a_100000211070_100000017830 [0,1,0,0,1,0|2,0,0]=4 2559 B19R3.6053 Clc1c(sc2c1cccc2)CNC3CCCC3 2230a_100000211070_100000021718 [0,1,0,0,1,0|2,0,0]=4 2560 B19R3.6053 Clc1c(sc2c1cccc2)CNC3CCCC3 2230a_200015185765_100000179811 [0,1,0,0,1,0|2,0,0]=4 2561 B19R3.6053 Clc1c(sc2c1cccc2)CNC3CCCC3 270004a_100000211070_100000017830 [0,1,0,0,1,0|2,0,0]=4 2562 B19R3.6053 Clc1c(sc2c1cccc2)CNC3CCCC3 270004a_200015185765_100000210133 [0,1,0,0,1,0|2,0,0]=4 2563 B19R3.6053 Clc1c(sc2c1cccc2)CNC3CCCC3 34a_100000211070_100000021718 [0,1,0,0,1,0|2,0,0]=4 2564 B19R3.6053 Cn1c(nc2c1cccc2)CNC3CCCC3 207a_100000211070_100000188960 [0,1,0,0,1,0|2,0,0]=4 2565 B19R3.6053 Cn1c(nc2c1cccc2)CNC3CCCC3 2230a_100000211070_100000748711 [0,1,0,0,1,0|2,0,0]=4 2566 B19R3.6053 Cn1c(nc2c1cccc2)CNC3CCCC3 270004a_100000211070_100000188960 [0,1,0,0,1,0|2,0,0]=4 2567 B19R3.6053 Cn1c(nc2c1cccc2)CNC3CCCC3 270004a_100000700934_100000210133 [0,1,0,0,1,0|2,0,0]=4 2568 B19R3.6053 Cn1c(nc2c1cccc2)CNC3CCCC3 34a_100000211070_100000748711 [0,1,0,0,1,0|2,0,0]=4 2569 B19R3.6053 Cn1c(nc2c1cccc2)SCC3CCCC3 62a_100000740388_200000239431 [0,1,0,0,1,0|2,0,0]=4 2570 B19R3.6053 Cn1c(nc2c1cccc2)SCC3CCCC3 62a_200000239431_100000740388 [0,1,0,0,1,0|2,0,0]=4 2571 B19R3.10823 CC(Nc1nc2ccccc2s1)C3CCCC3 27a_100015185923_100000751744 [0,1,0,0,1,0|2,0,0]=4 2572 B19R3.10823 CN(Cc1cc2ccccc2s1)C3CCCC3 2230a_100015183267_100000179811 [0,1,0,0,1,0|2,0,0]=4 2573 B19R3.10823 CN(Cc1cc2ccccc2s1)C3CCCC3 269982a_100015183267_100000179811 [0,1,0,0,1,0|2,0,0]=4 2574 B19R3.10823 CN(Cc1cc2ccccc2s1)C3CCCC3 270004a_100000207505_100000686906 [0,1,0,0,1,0|2,0,0]=4 2575 B19R3.10823 CN(Cc1cc2ccccc2s1)C3CCCC3 270004a_100015183267_100000210133 [0,1,0,0,1,0|2,0,0]=4 2576 B19R3.10823 CN(Cc1nc2ccccc2[nH]1)C3CCCC3 2230a_100000207505_100000737899 [0,1,0,0,1,0|2,0,0]=4 2577 B19R3.10823 CN(Cc1nc2ccccc2[nH]1)C3CCCC3 2230a_100000736437_100000179811 [0,1,0,0,1,0|2,0,0]=4 2578 B19R3.10823 CN(Cc1nc2ccccc2[nH]1)C3CCCC3 269982a_100000207505_100000737899 [0,1,0,0,1,0|2,0,0]=4 2579 B19R3.10823 CN(Cc1nc2ccccc2[nH]1)C3CCCC3 269982a_100000736437_100000179811 [0,1,0,0,1,0|2,0,0]=4 2580 B19R3.10823 CN(Cc1nc2ccccc2[nH]1)C3CCCC3 270004a_100000207505_100000185668 [0,1,0,0,1,0|2,0,0]=4 2581 B19R3.10823 CN(Cc1nc2ccccc2[nH]1)C3CCCC3 270004a_100000736437_100000210133 [0,1,0,0,1,0|2,0,0]=4 2582 B19R3.10823 CN(Cc1nc2ccccc2o1)C3CCCC3 2230a_100000207505_100000195508 [0,1,0,0,1,0|1,1,0]=4 2583 B19R3.10823 CN(Cc1nc2ccccc2o1)C3CCCC3 34a_100000207505_200012361514 [0,1,0,0,1,0|1,1,0]=4 2584 B19R3.10823 CN(Cc1nc2ccccc2s1)C3CCCC3 2230a_100000204650_100000179811 [0,1,0,0,1,0|1,0,0]=3 2585 B19R3.10823 CN(Cc1nc2ccccc2s1)C3CCCC3 2230a_100000207505_100000766747 [0,1,0,0,1,0|1,0,0]=3 2586 B19R3.10823 CN(Cc1nc2ccccc2s1)C3CCCC3 269982a_100000204650_100000179811 [0,1,0,0,1,0|1,0,0]=3 2587 B19R3.10823 CN(Cc1nc2ccccc2s1)C3CCCC3 269982a_100000207505_100011217541 [0,1,0,0,1,0|1,0,0]=3 2588 B19R3.10823 CN(Cc1nc2ccccc2s1)C3CCCC3 270004a_100000204650_100000210133 [0,1,0,0,1,0|1,0,0]=3 2589 B19R3.10823 CN(Cc1nc2ccccc2s1)C3CCCC3 270004a_100000207505_100011204187 [0,1,0,0,1,0|1,0,0]=3 2590 B19R3.10823 CN(Cc1nc2ccccc2s1)C3CCCC3 34a_100000207505_100011217541 [0,1,0,0,1,0|1,0,0]=3 2591 B19R3.10823 CN(Cc1nc2ccccc2s1)C3CCOC3 2230a_100000204650_100000731011 [0,1,0,0,1,0|2,0,0]=4 2592 B19R3.10823 CN(Cc1nc2ccccc2s1)C3CCOC3 2230a_100016988252_100000766747 [0,1,0,0,1,0|2,0,0]=4 2593 B19R3.10823 CN(Cc1nc2ccccc2s1)C3CCOC3 269982a_100000204650_100000731011 [0,1,0,0,1,0|2,0,0]=4 2594 B19R3.10823 CN(Cc1nc2ccccc2s1)C3CCOC3 269982a_100016988252_100011217541 [0,1,0,0,1,0|2,0,0]=4 2595 B19R3.10823 CN(Cc1nc2ccccc2s1)C3CCOC3 270004a_100000204650_100000752484 [0,1,0,0,1,0|2,0,0]=4 2596 B19R3.10823 CN(Cc1nc2ccccc2s1)C3CCOC3 270004a_100016988252_100011204187 [0,1,0,0,1,0|2,0,0]=4 2597 B19R3.10823 CN(Cc1nc2ccccc2s1)C3CCOC3 34a_100016988252_100011217541 [0,1,0,0,1,0|2,0,0]=4 2598 B19R3.10823 CN(Cc1nc2ccccc2s1)C3CCSC3 270004a_100000204650_100000212027 [0,1,0,0,1,0|2,0,0]=4 2599 B19R3.10823 O=C(Cc1nc2ccccc2s1)C3CCCC3 1458a_100000210718_100011217541 [0,1,0,0,1,0|2,0,0]=4 2600 B19R3.51205 CC1CCC(C1)NCc2cc3ccccc3s2 270004a_100015187092_100011215218 [0,1,0,0,1,0|2,0,0]=4 2601 B19R3.51205 CC1CCC(C1)NCc2nc3ccccc3[nH]2 270004a_100000729406_100011215218 [0,1,0,0,1,0|2,0,0]=4 2602 B19R3.51205 CC1CCC(C1)NCc2nc3ccccc3o2 270004a_100000733820_100011215218 [0,1,0,0,1,0|1,1,0]=4 2603 B19R3.51205 CC1CCC(C1)OCc2nc3ccccc3s2 34a_100000698185_100011217541 [0,1,0,0,1,0|2,0,0]=4 2604 B19R3.51205 CN1CCC(C1)CSc2nc3ccccc3s2 62a_200000690779_100000751744 [0,1,0,0,1,0|2,0,0]=4 2605 B19R3.51205 CN1CCC(C1)NCc2nc3ccccc3s2 270004a_100000744687_100011204187 [0,1,0,0,1,0|2,0,0]=4 2606 B19R3.51205 OC1CCC(C1)NCc2cc3ccccc3s2 270004a_100015187092_100012614533 [0,1,0,0,1,0|2,0,0]=4 2607 B19R3.51205 OC1CCC(C1)NCc2nc3ccccc3[nH]2 270004a_100000729406_100012614533 [0,1,0,0,1,0|2,0,0]=4 2608 B19R3.51205 OC1CCC(C1)NCc2nc3ccccc3o2 270004a_100000733820_100012614533 [0,1,0,0,1,0|1,1,0]=4 2609 B19R3.51205 O[C@@H]1CC[C@@H](C1)NCc2cc3ccccc3s2 207a_100015195300_100000686906 [0,1,0,0,1,0|2,0,0]=4 2610 B19R3.51205 O[C@@H]1CC[C@@H](C1)NCc2cc3ccccc3s2 270004a_100015195300_100000686906 [0,1,0,0,1,0|2,0,0]=4 2611 B19R3.51205 O[C@@H]1CC[C@@H](C1)NCc2nc3ccccc3[nH]2 207a_100015195300_100000185668 [0,1,0,0,1,0|2,0,0]=4 2612 B19R3.51205 O[C@@H]1CC[C@@H](C1)NCc2nc3ccccc3[nH]2 2230a_100015195300_100000737899 [0,1,0,0,1,0|2,0,0]=4 2613 B19R3.51205 O[C@@H]1CC[C@@H](C1)NCc2nc3ccccc3[nH]2 270004a_100015195300_100000185668 [0,1,0,0,1,0|2,0,0]=4 2614 B19R3.51205 O[C@@H]1CC[C@@H](C1)NCc2nc3ccccc3o2 2230a_100015195300_100000195508 [0,1,0,0,1,0|1,1,0]=4 2615 B19R3.51205 O[C@@H]1CC[C@@H](C1)NCc2nc3ccccc3s2 2230a_100015195300_100000766747 [0,1,0,0,1,0|1,0,0]=3 2616 B19R3.51205 O[C@@H]1CC[C@@H](C1)NCc2nc3ccccc3s2 270004a_100015195300_100011204187 [0,1,0,0,1,0|1,0,0]=3 2617 B19R3.55731 Brc1ccc2[nH]c(nc2c1)CNC3CCCC3 2230a_100000211070_100000701424 [0,1,0,0,1,0|2,0,0]=4 2618 B19R3.55731 Brc1ccc2[nH]c(nc2c1)CNC3CCCC3 34a_100000211070_100000701424 [0,1,0,0,1,0|2,0,0]=4 2619 B19R3.55731 Brc1ccc2cc(sc2c1)CNC3CCCC3 207a_100000211070_100009814784 [0,1,0,0,1,0|2,0,0]=4 2620 B19R3.55731 Brc1ccc2cc(sc2c1)CNC3CCCC3 270004a_100000211070_100009814784 [0,1,0,0,1,0|2,0,0]=4 2621 B19R3.55731 Brc1ccc2nc([nH]c2c1)CNC3CCCC3 207a_100000211070_200011361486 [0,1,0,0,1,0|2,0,0]=4 2622 B19R3.55731 Brc1ccc2nc([nH]c2c1)CNC3CCCC3 270004a_100000211070_200011361486 [0,1,0,0,1,0|2,0,0]=4 2623 B19R3.55731 Brc1ccc2nc(oc2c1)CNC3CCCC3 2230a_100000211070_100000729449 [0,1,0,0,1,0|1,1,0]=4 2624 B19R3.55731 Brc1ccc2nc(oc2c1)CNC3CCCC3 34a_100000211070_100000729449 [0,1,0,0,1,0|1,1,0]=4 2625 B19R3.55731 Brc1ccc2oc(nc2c1)CNC3CCCC3 2230a_100000211070_100000730559 [0,1,0,0,1,0|1,1,0]=4 2626 B19R3.55731 Brc1ccc2oc(nc2c1)CNC3CCCC3 34a_100000211070_100000730559 [0,1,0,0,1,0|1,1,0]=4 2627 B19R3.55731 Brc1ccc2sc(cc2c1)CNC3CCCC3 207a_100000211070_100010238522 [0,1,0,0,1,0|2,0,0]=4 2628 B19R3.55731 Brc1ccc2sc(cc2c1)CNC3CCCC3 270004a_100000211070_100010238522 [0,1,0,0,1,0|2,0,0]=4 2629 B19R3.55731 Cc1ccc2[nH]c(nc2c1)CNC3CCCC3 270004a_100000754707_100000210133 [0,1,0,0,1,0|2,0,0]=4 2630 B19R3.55731 Cc1ccc2nc([nH]c2c1)CNC3CCCC3 2230a_100000211070_100020603265 [0,1,0,0,1,0|2,0,0]=4 2631 B19R3.55731 Cc1ccc2nc([nH]c2c1)CNC3CCCC3 34a_100000211070_100020603265 [0,1,0,0,1,0|2,0,0]=4 2632 B19R3.55731 Cc1ccc2nc(oc2c1)CNC3CCCC3 2230a_100000211070_100011295139 [0,1,0,0,1,0|1,1,0]=4 2633 B19R3.55731 Cc1ccc2nc(oc2c1)CNC3CCCC3 34a_100000211070_100011295139 [0,1,0,0,1,0|1,1,0]=4 2634 B19R3.55731 Cc1ccc2nc(sc2c1)NCC3CCCC3 27a_100000737975_100010186437 [0,1,0,0,1,0|2,0,0]=4 2635 B19R3.55731 Cc1ccc2nc(sc2c1)SCC3CCCC3 62a_100000740388_100010186437 [0,1,0,0,1,0|1,0,0]=3 2636 B19R3.55731 Cc1ccc2nc(sc2c1)SCC3CCCO3 62a_100000203698_100010186437 [0,1,0,0,1,0|2,0,0]=4 2637 B19R3.55731 Cc1ccc2nc(sc2c1)SCC3CCOC3 62a_100000702531_100010186437 [0,1,0,0,1,0|2,0,0]=4 2638 B19R3.55731 Cc1ccc2oc(nc2c1)CNC3CCCC3 2230a_100000211070_100011374149 [0,1,0,0,1,0|1,1,0]=4 2639 B19R3.55731 Cc1ccc2oc(nc2c1)CNC3CCCC3 34a_100000211070_100011374149 [0,1,0,0,1,0|1,1,0]=4 2640 B19R3.55731 Cc1ccc2sc(cc2c1)CNC3CCCC3 207a_100000211070_100000050833 [0,1,0,0,1,0|2,0,0]=4 2641 B19R3.55731 Cc1ccc2sc(cc2c1)CNC3CCCC3 270004a_100000211070_100000050833 [0,1,0,0,1,0|2,0,0]=4 2642 B19R3.55731 Clc1ccc2[nH]c(nc2c1)CNC3CCCC3 2230a_100000211070_100000179801 [0,1,0,0,1,0|2,0,0]=4 2643 B19R3.55731 Clc1ccc2oc(nc2c1)CNC3CCCC3 2230a_100000211070_100011222916 [0,1,0,0,1,0|1,1,0]=4 2644 B19R3.55731 Clc1ccc2sc(cc2c1)CNC3CCCC3 207a_100000211070_200000119088 [0,1,0,0,1,0|2,0,0]=4 2645 B19R3.55731 Clc1ccc2sc(cc2c1)CNC3CCCC3 270004a_100000211070_200000119088 [0,1,0,0,1,0|2,0,0]=4 2646 B19R3.55731 Fc1ccc2[nH]c(nc2c1)CNC3CCCC3 207a_100000211070_200011915233 [0,1,0,0,1,0|2,0,0]=4 2647 B19R3.55731 Fc1ccc2[nH]c(nc2c1)CNC3CCCC3 270004a_100000211070_200011915233 [0,1,0,0,1,0|2,0,0]=4 2648 B19R3.55731 Fc1ccc2nc([nH]c2c1)CNC3CCCC3 2230a_100000211070_200011347187 [0,1,0,0,1,0|2,0,0]=4 2649 B19R3.55731 Fc1ccc2nc(oc2c1)CNC3CCCC3 2230a_100000211070_100000687025 [0,1,0,0,1,0|1,1,0]=4 2650 B19R3.55731 Fc1ccc2nc(oc2c1)CNC3CCCC3 34a_100000211070_100000687025 [0,1,0,0,1,0|1,1,0]=4 2651 B19R3.55731 Fc1ccc2nc(sc2c1)NCC3CCCC3 27a_100000737975_100000751617 [0,1,0,0,1,0|2,0,0]=4 2652 B19R3.55731 Fc1ccc2nc(sc2c1)SCC3CCCC3 62a_100000740388_100000751617 [0,1,0,0,1,0|1,0,0]=3 2653 B19R3.55731 Fc1ccc2nc(sc2c1)SCC3CCCC3 62a_100000751617_100000740388 [0,1,0,0,1,0|1,0,0]=3 2654 B19R3.55731 Fc1ccc2nc(sc2c1)SCC3CCCO3 62a_100000203698_100000751617 [0,1,0,0,1,0|2,0,0]=4 2655 B19R3.55731 Fc1ccc2nc(sc2c1)SCC3CCCO3 62a_100000751617_100000203698 [0,1,0,0,1,0|2,0,0]=4 2656 B19R3.55731 Fc1ccc2nc(sc2c1)SCC3CCOC3 62a_100000702531_100000751617 [0,1,0,0,1,0|2,0,0]=4 2657 B19R3.55731 Fc1ccc2nc(sc2c1)SCC3CCOC3 62a_100000751617_100000702531 [0,1,0,0,1,0|2,0,0]=4 2658 B19R3.55731 Fc1ccc2nc(sc2n1)SCC3CCCC3 62a_100000740388_200010738066 [0,1,0,0,1,0|2,0,0]=4 2659 B19R3.55731 Fc1ccc2nc(sc2n1)SCC3CCCC3 62a_200010738066_100000740388 [0,1,0,0,1,0|2,0,0]=4 2660 B19R3.55731 Fc1ccc2oc(nc2c1)CNC3CCCC3 2230a_100000211070_100000687093 [0,1,0,0,1,0|1,1,0]=4 2661 B19R3.55731 Fc1ccc2oc(nc2c1)CNC3CCCC3 34a_100000211070_100000687093 [0,1,0,0,1,0|1,1,0]=4 2662 B19R3.55731 Fc1ccc2sc(nc2c1)NCC3CCCC3 27a_100000737975_200010206605 [0,1,0,0,1,0|2,0,0]=4 2663 B19R3.55731 Fc1ccc2sc(nc2c1)SCC3CCCC3 62a_100000740388_200010206605 [0,1,0,0,1,0|1,0,0]=3 2664 B19R3.55731 Fc1ccc2sc(nc2c1)SCC3CCCC3 62a_200010206605_100000740388 [0,1,0,0,1,0|1,0,0]=3 2665 B19R3.55731 Fc1ccc2sc(nc2c1)SCC3CCCO3 62a_100000203698_200010206605 [0,1,0,0,1,0|2,0,0]=4 2666 B19R3.55731 Fc1ccc2sc(nc2c1)SCC3CCCO3 62a_200010206605_100000203698 [0,1,0,0,1,0|2,0,0]=4 2667 B19R3.55731 Fc1ccc2sc(nc2c1)SCC3CCOC3 62a_100000702531_200010206605 [0,1,0,0,1,0|2,0,0]=4 2668 B19R3.55731 Fc1ccc2sc(nc2c1)SCC3CCOC3 62a_200010206605_100000702531 [0,1,0,0,1,0|2,0,0]=4 2669 B19R3.55731 Nc1ccc2nc(sc2c1)NCC3CCCC3 27a_100000737975_100010253933 [0,1,0,0,1,0|2,0,0]=4 2670 B19R3.55731 Nc1ccc2nc(sc2c1)SCC3CCCC3 62a_100000740388_100010253933 [0,1,0,0,1,0|1,0,0]=3 2671 B19R3.55731 Nc1ccc2nc(sc2c1)SCC3CCCC3 62a_100010253933_100000740388 [0,1,0,0,1,0|1,0,0]=3 2672 B19R3.55731 Nc1ccc2nc(sc2c1)SCC3CCCO3 62a_100000203698_100010253933 [0,1,0,0,1,0|2,0,0]=4 2673 B19R3.55731 Nc1ccc2nc(sc2c1)SCC3CCCO3 62a_100010253933_100000203698 [0,1,0,0,1,0|2,0,0]=4 2674 B19R3.55731 Nc1ccc2nc(sc2c1)SCC3CCOC3 62a_100000702531_100010253933 [0,1,0,0,1,0|2,0,0]=4 2675 B19R3.55731 Nc1ccc2nc(sc2c1)SCC3CCOC3 62a_100010253933_100000702531 [0,1,0,0,1,0|2,0,0]=4 2676 B19R3.55731 Nc1ccc2sc(nc2c1)NCC3CCCC3 27a_100000737975_100010329861 [0,1,0,0,1,0|2,0,0]=4 2677 B19R3.55731 Nc1ccc2sc(nc2c1)SCC3CCCC3 62a_100000740388_100010329861 [0,1,0,0,1,0|1,0,0]=3 2678 B19R3.55731 Nc1ccc2sc(nc2c1)SCC3CCCC3 62a_100010329861_100000740388 [0,1,0,0,1,0|1,0,0]=3 2679 B19R3.55731 Nc1ccc2sc(nc2c1)SCC3CCCO3 62a_100000203698_100010329861 [0,1,0,0,1,0|2,0,0]=4 2680 B19R3.55731 Nc1ccc2sc(nc2c1)SCC3CCCO3 62a_100010329861_100000203698 [0,1,0,0,1,0|2,0,0]=4 2681 B19R3.55731 Nc1ccc2sc(nc2c1)SCC3CCOC3 62a_100000702531_100010329861 [0,1,0,0,1,0|2,0,0]=4 2682 B19R3.55731 Nc1ccc2sc(nc2c1)SCC3CCOC3 62a_100010329861_100000702531 [0,1,0,0,1,0|2,0,0]=4 2683 B19R3.55731 Oc1ccc2nc(sc2c1)NCC3CCCC3 27a_100000737975_100010063415 [0,1,0,0,1,0|2,0,0]=4 2684 B19R3.55731 Oc1ccc2nc(sc2c1)SCC3CCCC3 62a_100000740388_100010063415 [0,1,0,0,1,0|1,0,0]=3 2685 B19R3.55731 Oc1ccc2nc(sc2c1)SCC3CCCO3 62a_100000203698_100010063415 [0,1,0,0,1,0|2,0,0]=4 2686 B19R3.55731 Oc1ccc2nc(sc2c1)SCC3CCOC3 62a_100000702531_100010063415 [0,1,0,0,1,0|2,0,0]=4 2687 B19R3.61636 CC1CCCC1NCc2cc3ccccc3s2 269862a_100015187092_100000752053 [0,1,0,0,1,0|2,0,0]=4 2688 B19R3.61636 CC1CCCC1OCc2nc3ccccc3s2 34a_100011216460_100011217541 [0,1,0,0,1,0|2,0,0]=4 2689 B19R3.61636 CC1CCCC1OCc2nc3ccccc3s2 7a_100011216460_100011217541 [0,1,0,0,1,0|2,0,0]=4 2690 B19R3.61636 Cl[C@@H]1CCC[C@H]1OCc2nc3ccccc3s2 34a_200016002552_100011217541 [0,1,0,0,1,0|2,0,0]=4 2691 B19R3.61636 N[C@H]1CCC[C@@H]1OCc2nc3ccccc3s2 34a_100000748460_100011217541 [0,1,0,0,1,0|2,0,0]=4 2692 B19R3.61636 O[C@@H]1CCC[C@H]1SCc2nc3ccccc3s2 62a_100011217541_200016002552 [0,1,0,0,1,0|2,0,0]=4 2693 B19R3.61636 O[C@@H]1CCC[C@H]1SCc2nc3ccccc3s2 62a_200016002552_100000766747 [0,1,0,0,1,0|2,0,0]=4 2694 B19R3.61636 O[C@H]1CCC[C@@H]1NCc2cc3ccccc3s2 207a_100000748460_100000686906 [0,1,0,0,1,0|2,0,0]=4 2695 B19R3.61636 O[C@H]1CCC[C@@H]1NCc2cc3ccccc3s2 270004a_100000748460_100000686906 [0,1,0,0,1,0|2,0,0]=4 2696 B19R3.61636 O[C@H]1CCC[C@@H]1NCc2nc3ccccc3[nH]2 207a_100000748460_100000185668 [0,1,0,0,1,0|2,0,0]=4 2697 B19R3.61636 O[C@H]1CCC[C@@H]1NCc2nc3ccccc3[nH]2 270004a_100000748460_100000185668 [0,1,0,0,1,0|2,0,0]=4 2698 B19R3.61636 O[C@H]1CCC[C@@H]1NCc2nc3ccccc3s2 270004a_100000748460_100011204187 [0,1,0,0,1,0|1,0,0]=3 2699 B19R3.61636 O[C@H]1COC[C@@H]1NCc2nc3ccccc3s2 2230a_100015191717_100000766747 [0,1,0,0,1,0|2,0,0]=4 2700 B19R3.61636 O[C@H]1COC[C@@H]1NCc2nc3ccccc3s2 270004a_100015191717_100011204187 [0,1,0,0,1,0|2,0,0]=4 2701 B19R3.150531 Brc1cccc2c1cc(s2)CNC3CCCC3 207a_100000211070_100010109917 [0,1,0,0,1,0|2,0,0]=4 2702 B19R3.150531 Brc1cccc2c1cc(s2)CNC3CCCC3 270004a_100000211070_100010109917 [0,1,0,0,1,0|2,0,0]=4 2703 B19R3.150531 Brc1cccc2c1sc(c2)CNC3CCCC3 207a_100000211070_100010110135 [0,1,0,0,1,0|2,0,0]=4 2704 B19R3.150531 Brc1cccc2c1sc(c2)CNC3CCCC3 270004a_100000211070_100010110135 [0,1,0,0,1,0|2,0,0]=4 2705 B19R3.150531 Cc1cccc2c1nc([nH]2)CNC3CCCC3 270004a_100015183929_100000210133 [0,1,0,0,1,0|2,0,0]=4 2706 B19R3.150531 Cc1cccc2c1nc(o2)CNC3CCCC3 2230a_100000211070_100011397728 [0,1,0,0,1,0|1,1,0]=4 2707 B19R3.150531 Cc1cccc2c1nc(o2)CNC3CCCC3 34a_100000211070_100011397728 [0,1,0,0,1,0|1,1,0]=4 2708 B19R3.150531 Cc1cccc2c1nc(s2)NCC3CCCC3 27a_100000737975_100010008827 [0,1,0,0,1,0|2,0,0]=4 2709 B19R3.150531 Cc1cccc2c1nc(s2)SCC3CCCC3 62a_100000740388_100010008827 [0,1,0,0,1,0|1,0,0]=3 2710 B19R3.150531 Cc1cccc2c1nc(s2)SCC3CCCO3 62a_100000203698_100010008827 [0,1,0,0,1,0|2,0,0]=4 2711 B19R3.150531 Cc1cccc2c1nc(s2)SCC3CCOC3 62a_100000702531_100010008827 [0,1,0,0,1,0|2,0,0]=4 2712 B19R3.150531 Clc1cccc2c1cc(s2)CNC3CCCC3 207a_100000211070_100000117544 [0,1,0,0,1,0|2,0,0]=4 2713 B19R3.150531 Clc1cccc2c1cc(s2)CNC3CCCC3 270004a_100000211070_100000117544 [0,1,0,0,1,0|2,0,0]=4 2714 B19R3.150531 Fc1cccc2c1nc([nH]2)CNC3CCCC3 270004a_100011347252_100000210133 [0,1,0,0,1,0|2,0,0]=4 2715 B19R3.150531 Fc1cccc2c1nc(s2)NCC3CCCC3 27a_100000737975_100010008856 [0,1,0,0,1,0|2,0,0]=4 2716 B19R3.150531 Fc1cccc2c1nc(s2)SCC3CCCC3 62a_100000740388_100010008856 [0,1,0,0,1,0|1,0,0]=3 2717 B19R3.150531 Fc1cccc2c1nc(s2)SCC3CCCO3 62a_100000203698_100010008856 [0,1,0,0,1,0|2,0,0]=4 2718 B19R3.150531 Fc1cccc2c1nc(s2)SCC3CCOC3 62a_100000702531_100010008856 [0,1,0,0,1,0|2,0,0]=4 2719 B19R3.679979 CC(NC1CCCC1)c2cc3ccccc3s2 269862a_100000211070_100011216072 [0,1,0,0,1,0|2,0,0]=4 2720 B19R3.679979 CC(NC1CCCC1)c2nc3ccccc3[nH]2 270004a_100000211070_100000199114 [0,1,0,0,1,0|2,0,0]=4 2721 B19R3.679979 CC(NC1CCCC1)c2nc3ccccc3s2 2230a_100000213967_100000179811 [0,1,0,0,1,0|1,0,0]=3 2722 B19R3.679979 CC(NC1CCCC1)c2nc3ccccc3s2 270004a_100000213967_100000210133 [0,1,0,0,1,0|1,0,0]=3 2723 B19R3.679979 CC(NC1CCOC1)c2nc3ccccc3s2 2230a_100000213967_100000731011 [0,1,0,0,1,0|2,0,0]=4 2724 B19R3.679979 CC(NC1CCOC1)c2nc3ccccc3s2 270004a_100000213967_100000752484 [0,1,0,0,1,0|2,0,0]=4 2725 B19R3.679979 CC(NC1CCSC1)c2nc3ccccc3s2 270004a_100000213967_100000212027 [0,1,0,0,1,0|2,0,0]=4 2726 B19R3.679979 C[C@H](NC1CCCC1)c2nc3ccccc3[nH]2 2230a_100015206438_100000179811 [0,1,0,0,1,0|2,0,0]=4 2727 B19R3.679979 C[C@H](NC1CCCC1)c2nc3ccccc3[nH]2 270004a_100015206438_100000210133 [0,1,0,0,1,0|2,0,0]=4 2728 B19R3.2395099 CC1(CCCC1)OCc2nc3ccccc3s2 34a_100000751722_100011217541 [0,1,0,0,1,0|2,0,0]=4 2729 B19R3.2395099 CC1(CCCC1)OCc2nc3ccccc3s2 7a_100000751722_100011217541 [0,1,0,0,1,0|2,0,0]=4 2730 B19R3.2395099 CC1(CCOC1)NCc2nc3ccccc3s2 2230a_100000693475_100000766747 [0,1,0,0,1,0|2,0,0]=4 2731 B19R3.2395099 CC1(CCOC1)NCc2nc3ccccc3s2 270004a_100000693475_100011204187 [0,1,0,0,1,0|2,0,0]=4 2732 B19R3.2395099 OC1(CCCC1)CNc2nc3ccccc3s2 27a_100000737848_100000751744 [0,1,0,0,1,0|2,0,0]=4 2733 B19R3.182 Brc1c(sc2c1cccc2)SC3CCCOC3 62a_100015504031_100000693364 [0,1,0,0,1,0|2,0,0]=4 2734 B19R3.182 Brc1c(sc2c1cccc2)SC3CCOCC3 62a_100015504031_100011324220 [0,1,0,0,1,0|2,0,0]=4 2735 B19R3.182 Cn1c(nc2c1cccc2)NC3CCCCC3 27a_100000182618_200000239431 [0,1,0,0,1,0|1,0,0]=3 2736 B19R3.182 Cn1c(nc2c1cccc2)NC3CCCOC3 27a_100000719290_200000239431 [0,1,0,0,1,0|2,0,0]=4 2737 B19R3.182 Cn1c(nc2c1cccc2)NC3CCOCC3 27a_100000741149_200000239431 [0,1,0,0,1,0|2,0,0]=4 2738 B19R3.182 Cn1c(nc2c1cccc2)NC3CCSCC3 27a_100000748639_200000239431 [0,1,0,0,1,0|2,0,0]=4 2739 B19R3.182 Cn1c(nc2c1cccc2)SC3CCCCC3 62a_100000210327_200000239431 [0,1,0,0,1,0|1,0,0]=3 2740 B19R3.182 Cn1c(nc2c1cccc2)SC3CCCCC3 62a_200000239431_100000210327 [0,1,0,0,1,0|1,0,0]=3 2741 B19R3.182 Cn1c(nc2c1cccc2)SC3CCCOC3 62a_200000239431_100000693364 [0,1,0,0,1,0|2,0,0]=4 2742 B19R3.182 Cn1c(nc2c1cccc2)SC3CCOCC3 62a_200000239431_100011324220 [0,1,0,0,1,0|2,0,0]=4 2743 B19R3.182 Cn1c(nc2c1cccc2)SC3CCSCC3 62a_200000239431_100000069128 [0,1,0,0,1,0|2,0,0]=4 2744 B19R3.8304 Cc1cccc2c1nc(s2)NC3CCCCC3 27a_100000182618_100010008827 [0,1,0,0,1,0|0,0,0]=2 2745 B19R3.8304 Cc1cccc2c1nc(s2)NC3CCCOC3 27a_100000719290_100010008827 [0,1,0,0,1,0|1,0,0]=3 2746 B19R3.8304 Cc1cccc2c1nc(s2)NC3CCOCC3 27a_100000741149_100010008827 [0,1,0,0,1,0|1,0,0]=3 2747 B19R3.8304 Cc1cccc2c1nc(s2)NC3CCSCC3 27a_100000748639_100010008827 [0,1,0,0,1,0|1,0,0]=3 2748 B19R3.8304 Cc1cccc2c1nc(s2)SC3C=CCCC3 62a_100000751183_100010008827 [0,1,0,0,1,0|0,0,2]=4 2749 B19R3.8304 Fc1cccc2c1nc(s2)NC3CCCCC3 27a_100000182618_100010008856 [0,1,0,0,1,0|0,0,0]=2 2750 B19R3.8304 Fc1cccc2c1nc(s2)NC3CCCOC3 27a_100000719290_100010008856 [0,1,0,0,1,0|1,0,0]=3 2751 B19R3.8304 Fc1cccc2c1nc(s2)NC3CCOCC3 27a_100000741149_100010008856 [0,1,0,0,1,0|1,0,0]=3 2752 B19R3.8304 Fc1cccc2c1nc(s2)NC3CCSCC3 27a_100000748639_100010008856 [0,1,0,0,1,0|1,0,0]=3 2753 B19R3.8304 Fc1cccc2c1nc(s2)SC3C=CCCC3 62a_100000751183_100010008856 [0,1,0,0,1,0|0,0,2]=4 2754 B19R3.8304 Fc1cccc2c1nc(s2)SC3CCCCC3 62a_100000210327_100010008856 [0,1,0,0,1,0|0,0,0]=2 2755 B19R3.54463 CC1CCCC(C1)Nc2nc3ccccc3[nH]2 27a_100011194320_100009814255 [0,1,0,0,1,0|1,0,0]=3 2756 B19R3.54463 CC1CCCC(C1)Nc2nc3ccccc3s2 27a_100011194320_100000751744 [0,1,0,0,1,0|0,0,0]=2 2757 B19R3.54463 CC1CCCC(C1)Nc2nc3cccnc3s2 27a_100011194320_100010188088 [0,1,0,0,1,0|1,0,0]=3 2758 B19R3.54463 CN1CCC[C@@H](C1)Nc2nc3ccccc3[nH]2 27a_100016992120_100009814255 [0,1,0,0,1,0|2,0,0]=4 2759 B19R3.54463 CN1CCC[C@@H](C1)Nc2nc3ccccc3s2 27a_100016992120_100000751744 [0,1,0,0,1,0|1,0,0]=3 2760 B19R3.54463 CN1CCC[C@@H](C1)Nc2nc3cccnc3s2 27a_100016992120_100010188088 [0,1,0,0,1,0|2,0,0]=4 2761 B19R3.54463 C[C@H]1CCCN(C1)Cc2nc3ccccc3s2 2230a_100000717927_100000766747 [0,1,0,0,1,0|2,0,0]=4 2762 B19R3.54463 C[C@H]1CCCN(C1)Cc2nc3ccccc3s2 269982a_100000717927_100011217541 [0,1,0,0,1,0|2,0,0]=4 2763 B19R3.54463 C[C@H]1CCCN(C1)Cc2nc3ccccc3s2 270004a_100000717927_100011204187 [0,1,0,0,1,0|2,0,0]=4 2764 B19R3.54463 C[C@H]1CCCN(C1)Cc2nc3ccccc3s2 34a_100000717927_100011217541 [0,1,0,0,1,0|2,0,0]=4 2765 B19R3.54463 FC1CCCN(C1)Cc2nc3ccccc3s2 2230a_100000697950_100000766747 [0,1,0,0,1,0|2,0,0]=4 2766 B19R3.54463 FC1CCCN(C1)Cc2nc3ccccc3s2 269982a_100000697950_100011217541 [0,1,0,0,1,0|2,0,0]=4 2767 B19R3.54463 FC1CCCN(C1)Cc2nc3ccccc3s2 270004a_100000697950_100011204187 [0,1,0,0,1,0|2,0,0]=4 2768 B19R3.54463 FC1CCCN(C1)Cc2nc3ccccc3s2 34a_100000697950_100011217541 [0,1,0,0,1,0|2,0,0]=4 2769 B19R3.54463 O=C1CC(CCN1)Nc2nc3ccccc3s2 27a_100016994916_100000751744 [0,1,0,0,1,0|1,0,1]=4 2770 B19R3.54463 OC1CCCC(C1)Nc2nc3ccccc3[nH]2 27a_100015190357_100009814255 [0,1,0,0,1,0|1,0,0]=3 2771 B19R3.54463 OC1CCCC(C1)Nc2nc3ccccc3s2 27a_100015190357_100000751744 [0,1,0,0,1,0|0,0,0]=2 2772 B19R3.54463 OC1CCCC(C1)Nc2nc3cccnc3s2 27a_100015190357_100010188088 [0,1,0,0,1,0|1,0,0]=3 2773 B19R3.54463 OC1CCCN(C1)Cc2nc3ccccc3s2 2230a_100000211013_100000766747 [0,1,0,0,1,0|2,0,0]=4 2774 B19R3.54463 OC1CCCN(C1)Cc2nc3ccccc3s2 269982a_100000211013_100011217541 [0,1,0,0,1,0|2,0,0]=4 2775 B19R3.54463 OC1CCCN(C1)Cc2nc3ccccc3s2 270004a_100000211013_100011204187 [0,1,0,0,1,0|2,0,0]=4 2776 B19R3.88146 Brc1ccc2sc(cc2c1)SC3CCCOC3 62a_200010198765_100000693364 [0,1,0,0,1,0|2,0,0]=4 2777 B19R3.88146 Brc1ccc2sc(cc2c1)SC3CCOCC3 62a_200010198765_100011324220 [0,1,0,0,1,0|2,0,0]=4 2778 B19R3.88146 Cc1ccc2nc(sc2c1)NC3CCCCC3 27a_100000182618_100010186437 [0,1,0,0,1,0|0,0,0]=2 2779 B19R3.88146 Cc1ccc2nc(sc2c1)NC3CCCOC3 27a_100000719290_100010186437 [0,1,0,0,1,0|1,0,0]=3 2780 B19R3.88146 Cc1ccc2nc(sc2c1)NC3CCOCC3 27a_100000741149_100010186437 [0,1,0,0,1,0|1,0,0]=3 2781 B19R3.88146 Cc1ccc2nc(sc2c1)NC3CCSCC3 27a_100000748639_100010186437 [0,1,0,0,1,0|1,0,0]=3 2782 B19R3.88146 Cc1ccc2nc(sc2c1)SC3C=CCCC3 62a_100000751183_100010186437 [0,1,0,0,1,0|0,0,2]=4 2783 B19R3.88146 Fc1ccc2nc(cn2c1)SC3CCCCC3 62a_100000210327_100010231931 [0,1,0,0,1,0|2,0,0]=4 2784 B19R3.88146 Fc1ccc2nc(cn2c1)SC3CCCCC3 62a_100010231931_100000210327 [0,1,0,0,1,0|2,0,0]=4 2785 B19R3.88146 Fc1ccc2nc(sc2c1)NC3CCCCC3 27a_100000182618_100000751617 [0,1,0,0,1,0|0,0,0]=2 2786 B19R3.88146 Fc1ccc2nc(sc2c1)NC3CCCOC3 27a_100000719290_100000751617 [0,1,0,0,1,0|1,0,0]=3 2787 B19R3.88146 Fc1ccc2nc(sc2c1)NC3CCOCC3 27a_100000741149_100000751617 [0,1,0,0,1,0|1,0,0]=3 2788 B19R3.88146 Fc1ccc2nc(sc2c1)NC3CCSCC3 27a_100000748639_100000751617 [0,1,0,0,1,0|1,0,0]=3 2789 B19R3.88146 Fc1ccc2nc(sc2c1)SC3C=CCCC3 62a_100000751183_100000751617 [0,1,0,0,1,0|0,0,2]=4 2790 B19R3.88146 Fc1ccc2nc(sc2c1)SC3C=CCCC3 62a_100000751617_100000751183 [0,1,0,0,1,0|0,0,2]=4 2791 B19R3.88146 Fc1ccc2nc(sc2c1)SC3CCCCC3 62a_100000210327_100000751617 [0,1,0,0,1,0|0,0,0]=2 2792 B19R3.88146 Fc1ccc2nc(sc2c1)SC3CCCCC3 62a_100000751617_100000210327 [0,1,0,0,1,0|0,0,0]=2 2793 B19R3.88146 Fc1ccc2nc(sc2c1)SC3CCCOC3 62a_100000751617_100000693364 [0,1,0,0,1,0|1,0,0]=3 2794 B19R3.88146 Fc1ccc2nc(sc2c1)SC3CCOCC3 62a_100000751617_100011324220 [0,1,0,0,1,0|1,0,0]=3 2795 B19R3.88146 Fc1ccc2nc(sc2c1)SC3CCSCC3 62a_100000751617_100000069128 [0,1,0,0,1,0|1,0,0]=3 2796 B19R3.88146 Fc1ccc2nc(sc2n1)NC3CCCCC3 27a_100000182618_200010738066 [0,1,0,0,1,0|1,0,0]=3 2797 B19R3.88146 Fc1ccc2nc(sc2n1)NC3CCCOC3 27a_100000719290_200010738066 [0,1,0,0,1,0|2,0,0]=4 2798 B19R3.88146 Fc1ccc2nc(sc2n1)NC3CCOCC3 27a_100000741149_200010738066 [0,1,0,0,1,0|2,0,0]=4 2799 B19R3.88146 Fc1ccc2nc(sc2n1)NC3CCSCC3 27a_100000748639_200010738066 [0,1,0,0,1,0|2,0,0]=4 2800 B19R3.88146 Fc1ccc2nc(sc2n1)SC3CCCCC3 62a_100000210327_200010738066 [0,1,0,0,1,0|1,0,0]=3 2801 B19R3.88146 Fc1ccc2nc(sc2n1)SC3CCCCC3 62a_200010738066_100000210327 [0,1,0,0,1,0|1,0,0]=3 2802 B19R3.88146 Fc1ccc2nc(sc2n1)SC3CCCOC3 62a_200010738066_100000693364 [0,1,0,0,1,0|2,0,0]=4 2803 B19R3.88146 Fc1ccc2nc(sc2n1)SC3CCOCC3 62a_200010738066_100011324220 [0,1,0,0,1,0|2,0,0]=4 2804 B19R3.88146 Fc1ccc2nc(sc2n1)SC3CCSCC3 62a_200010738066_100000069128 [0,1,0,0,1,0|2,0,0]=4 2805 B19R3.88146 Fc1ccc2sc(nc2c1)NC3CCCCC3 27a_100000182618_200010206605 [0,1,0,0,1,0|0,0,0]=2 2806 B19R3.88146 Fc1ccc2sc(nc2c1)NC3CCCOC3 27a_100000719290_200010206605 [0,1,0,0,1,0|1,0,0]=3 2807 B19R3.88146 Fc1ccc2sc(nc2c1)NC3CCOCC3 27a_100000741149_200010206605 [0,1,0,0,1,0|1,0,0]=3 2808 B19R3.88146 Fc1ccc2sc(nc2c1)NC3CCSCC3 27a_100000748639_200010206605 [0,1,0,0,1,0|1,0,0]=3 2809 B19R3.88146 Fc1ccc2sc(nc2c1)SC3C=CCCC3 62a_100000751183_200010206605 [0,1,0,0,1,0|0,0,2]=4 2810 B19R3.88146 Fc1ccc2sc(nc2c1)SC3C=CCCC3 62a_200010206605_100000751183 [0,1,0,0,1,0|0,0,2]=4 2811 B19R3.88146 Fc1ccc2sc(nc2c1)SC3CCCCC3 62a_100000210327_200010206605 [0,1,0,0,1,0|0,0,0]=2 2812 B19R3.88146 Fc1ccc2sc(nc2c1)SC3CCCCC3 62a_200010206605_100000210327 [0,1,0,0,1,0|0,0,0]=2 2813 B19R3.88146 Fc1ccc2sc(nc2c1)SC3CCCOC3 62a_200010206605_100000693364 [0,1,0,0,1,0|1,0,0]=3 2814 B19R3.88146 Fc1ccc2sc(nc2c1)SC3CCOCC3 62a_200010206605_100011324220 [0,1,0,0,1,0|1,0,0]=3 2815 B19R3.88146 Fc1ccc2sc(nc2c1)SC3CCSCC3 62a_200010206605_100000069128 [0,1,0,0,1,0|1,0,0]=3 2816 B19R3.88146 Nc1ccc2nc(sc2c1)NC3CCCCC3 27a_100000182618_100010253933 [0,1,0,0,1,0|0,0,0]=2 2817 B19R3.88146 Nc1ccc2nc(sc2c1)NC3CCCOC3 27a_100000719290_100010253933 [0,1,0,0,1,0|1,0,0]=3 2818 B19R3.88146 Nc1ccc2nc(sc2c1)NC3CCOCC3 27a_100000741149_100010253933 [0,1,0,0,1,0|1,0,0]=3 2819 B19R3.88146 Nc1ccc2nc(sc2c1)NC3CCSCC3 27a_100000748639_100010253933 [0,1,0,0,1,0|1,0,0]=3 2820 B19R3.88146 Nc1ccc2nc(sc2c1)SC3C=CCCC3 62a_100000751183_100010253933 [0,1,0,0,1,0|0,0,2]=4 2821 B19R3.88146 Nc1ccc2nc(sc2c1)SC3C=CCCC3 62a_100010253933_100000751183 [0,1,0,0,1,0|0,0,2]=4 2822 B19R3.88146 Nc1ccc2nc(sc2c1)SC3CCCCC3 62a_100000210327_100010253933 [0,1,0,0,1,0|0,0,0]=2 2823 B19R3.88146 Nc1ccc2nc(sc2c1)SC3CCCCC3 62a_100010253933_100000210327 [0,1,0,0,1,0|0,0,0]=2 2824 B19R3.88146 Nc1ccc2nc(sc2c1)SC3CCCOC3 62a_100010253933_100000693364 [0,1,0,0,1,0|1,0,0]=3 2825 B19R3.88146 Nc1ccc2nc(sc2c1)SC3CCOCC3 62a_100010253933_100011324220 [0,1,0,0,1,0|1,0,0]=3 2826 B19R3.88146 Nc1ccc2nc(sc2c1)SC3CCSCC3 62a_100010253933_100000069128 [0,1,0,0,1,0|1,0,0]=3 2827 B19R3.88146 Nc1ccc2sc(nc2c1)NC3CCCCC3 27a_100000182618_100010329861 [0,1,0,0,1,0|0,0,0]=2 2828 B19R3.88146 Nc1ccc2sc(nc2c1)NC3CCCOC3 27a_100000719290_100010329861 [0,1,0,0,1,0|1,0,0]=3 2829 B19R3.88146 Nc1ccc2sc(nc2c1)NC3CCOCC3 27a_100000741149_100010329861 [0,1,0,0,1,0|1,0,0]=3 2830 B19R3.88146 Nc1ccc2sc(nc2c1)NC3CCSCC3 27a_100000748639_100010329861 [0,1,0,0,1,0|1,0,0]=3 2831 B19R3.88146 Nc1ccc2sc(nc2c1)SC3C=CCCC3 62a_100000751183_100010329861 [0,1,0,0,1,0|0,0,2]=4 2832 B19R3.88146 Nc1ccc2sc(nc2c1)SC3C=CCCC3 62a_100010329861_100000751183 [0,1,0,0,1,0|0,0,2]=4 2833 B19R3.88146 Nc1ccc2sc(nc2c1)SC3CCCCC3 62a_100000210327_100010329861 [0,1,0,0,1,0|0,0,0]=2 2834 B19R3.88146 Nc1ccc2sc(nc2c1)SC3CCCCC3 62a_100010329861_100000210327 [0,1,0,0,1,0|0,0,0]=2 2835 B19R3.88146 Nc1ccc2sc(nc2c1)SC3CCCOC3 62a_100010329861_100000693364 [0,1,0,0,1,0|1,0,0]=3 2836 B19R3.88146 Nc1ccc2sc(nc2c1)SC3CCOCC3 62a_100010329861_100011324220 [0,1,0,0,1,0|1,0,0]=3 2837 B19R3.88146 Nc1ccc2sc(nc2c1)SC3CCSCC3 62a_100010329861_100000069128 [0,1,0,0,1,0|1,0,0]=3 2838 B19R3.88146 Oc1ccc2nc(sc2c1)NC3CCCCC3 27a_100000182618_100010063415 [0,1,0,0,1,0|0,0,0]=2 2839 B19R3.88146 Oc1ccc2nc(sc2c1)NC3CCCOC3 27a_100000719290_100010063415 [0,1,0,0,1,0|1,0,0]=3 2840 B19R3.88146 Oc1ccc2nc(sc2c1)NC3CCOCC3 27a_100000741149_100010063415 [0,1,0,0,1,0|1,0,0]=3 2841 B19R3.88146 Oc1ccc2nc(sc2c1)NC3CCSCC3 27a_100000748639_100010063415 [0,1,0,0,1,0|1,0,0]=3 2842 B19R3.88146 Oc1ccc2nc(sc2c1)SC3C=CCCC3 62a_100000751183_100010063415 [0,1,0,0,1,0|0,0,2]=4 2843 B19R3.88146 Oc1ccc2nc(sc2c1)SC3CCCCC3 62a_100000210327_100010063415 [0,1,0,0,1,0|0,0,0]=2 2844 B19R3.171030 CC1CCCCC1Nc2nc3ccccc3[nH]2 27a_100000211402_100009814255 [0,1,0,0,1,0|1,0,0]=3 2845 B19R3.171030 CC1CCCCC1Nc2nc3ccccc3s2 27a_100000211402_100000751744 [0,1,0,0,1,0|0,0,0]=2 2846 B19R3.171030 CC1CCCCC1Nc2nc3cccnc3s2 27a_100000211402_100010188088 [0,1,0,0,1,0|1,0,0]=3 2847 B19R3.171030 CC1CCCCN1Cc2nc3ccccc3s2 2230a_100000211376_100000766747 [0,1,0,0,1,0|2,0,0]=4 2848 B19R3.171030 CC1CCCCN1Cc2nc3ccccc3s2 269982a_100000211376_100011217541 [0,1,0,0,1,0|2,0,0]=4 2849 B19R3.171030 CC1CCCCN1Cc2nc3ccccc3s2 270004a_100000211376_100011204187 [0,1,0,0,1,0|2,0,0]=4 2850 B19R3.171030 CC1CCCCN1Cc2nc3ccccc3s2 34a_100000211376_100011217541 [0,1,0,0,1,0|2,0,0]=4 2851 B19R3.171030 FC1CCCCC1Sc2cc3ccccc3[nH]2 62a_100015423560_100010232065 [0,1,0,0,1,0|1,0,1]=4 2852 B19R3.171030 FC1CCCCC1Sc2cc3ccccc3o2 62a_100015423560_100010159458 [0,1,0,0,1,0|1,1,0]=4 2853 B19R3.171030 FC1CCCCC1Sc2cn3ccccc3n2 62a_100015423560_100009819586 [0,1,0,0,1,0|2,0,0]=4 2854 B19R3.171030 FC1CCCCC1Sc2nc3ccccc3[nH]2 62a_100015423560_100009814255 [0,1,0,0,1,0|1,0,0]=3 2855 B19R3.171030 FC1CCCCC1Sc2nc3ccccc3s2 62a_100015423560_100000751744 [0,1,0,0,1,0|0,0,0]=2 2856 B19R3.171030 FC1CCCCC1Sc2nc3cccnc3s2 62a_100010188088_100015423560 [0,1,0,0,1,0|1,0,0]=3 2857 B19R3.171030 FC1CCCCC1Sc2nc3cccnc3s2 62a_100015423560_100010188088 [0,1,0,0,1,0|1,0,0]=3 2858 B19R3.171030 F[C@@H]1CCCC[C@H]1Nc2nc3ccccc3[nH]2 27a_100015195156_100009814255 [0,1,0,0,1,0|1,0,0]=3 2859 B19R3.171030 F[C@@H]1CCCC[C@H]1Nc2nc3ccccc3s2 27a_100015195156_100000751744 [0,1,0,0,1,0|0,0,0]=2 2860 B19R3.171030 F[C@@H]1CCCC[C@H]1Nc2nc3cccnc3s2 27a_100015195156_100010188088 [0,1,0,0,1,0|1,0,0]=3 2861 B19R3.171030 F[C@H]1COCC[C@@H]1Nc2nc3ccccc3[nH]2 27a_100016994078_100009814255 [0,1,0,0,1,0|2,0,0]=4 2862 B19R3.171030 F[C@H]1COCC[C@@H]1Nc2nc3ccccc3s2 27a_100016994078_100000751744 [0,1,0,0,1,0|1,0,0]=3 2863 B19R3.171030 F[C@H]1COCC[C@@H]1Nc2nc3cccnc3s2 27a_100016994078_100010188088 [0,1,0,0,1,0|2,0,0]=4 2864 B19R3.171030 O=C1CCCCC1Sc2cc3ccccc3s2 62a_100000204591_100009816949 [0,1,0,0,1,0|1,0,1]=4 2865 B19R3.171030 O=C1CCCCC1Sc2nc3ccccc3[nH]2 62a_100000204591_100009814255 [0,1,0,0,1,0|1,0,1]=4 2866 B19R3.171030 O=C1CCCCC1Sc2nc3ccccc3s2 62a_100000204591_100000751744 [0,1,0,0,1,0|0,0,1]=3 2867 B19R3.171030 O=C1CCCCC1Sc2nc3cccnc3s2 62a_100000204591_100010188088 [0,1,0,0,1,0|1,0,1]=4 2868 B19R3.171030 O=C1CCCCC1Sc2nc3cccnc3s2 62a_100010188088_100000204591 [0,1,0,0,1,0|1,0,1]=4 2869 B19R3.171030 O=C1CCOCC1Sc2nc3ccccc3s2 62a_100012180262_100000751744 [0,1,0,0,1,0|1,0,1]=4 2870 B19R3.171030 O=C1NCCCC1Nc2nc3ccccc3s2 27a_100000747585_100000751744 [0,1,0,0,1,0|1,0,1]=4 2871 B19R3.171030 O=C1NCCCC1Sc2nc3ccccc3s2 62a_100000687798_100000751744 [0,1,0,0,1,0|1,0,1]=4 2872 B19R3.171030 OC1CCCCC1Sc2cc3ccccc3[nH]2 62a_100000038908_100010232065 [0,1,0,0,1,0|1,0,1]=4 2873 B19R3.171030 OC1CCCCC1Sc2cc3ccccc3o2 62a_100000038908_100010159458 [0,1,0,0,1,0|1,1,0]=4 2874 B19R3.171030 OC1CCCCC1Sc2cc3ccccc3s2 62a_100000038908_100009816949 [0,1,0,0,1,0|1,0,0]=3 2875 B19R3.171030 OC1CCCCC1Sc2cn3ccccc3n2 62a_100000038908_100009819586 [0,1,0,0,1,0|2,0,0]=4 2876 B19R3.171030 OC1CCCCC1Sc2nc3ccccc3[nH]2 62a_100000038908_100009814255 [0,1,0,0,1,0|1,0,0]=3 2877 B19R3.171030 OC1CCCCC1Sc2nc3ccccc3s2 62a_100000038908_100000751744 [0,1,0,0,1,0|0,0,0]=2 2878 B19R3.171030 OC1CCCCC1Sc2nc3cccnc3s2 62a_100000038908_100010188088 [0,1,0,0,1,0|1,0,0]=3 2879 B19R3.171030 OC1CCCCC1Sc2nc3cccnc3s2 62a_100010188088_100000038908 [0,1,0,0,1,0|1,0,0]=3 2880 B19R3.171030 O[C@H]1CCCC[C@H]1Nc2nc3ccccc3[nH]2 27a_100015191688_100009814255 [0,1,0,0,1,0|1,0,0]=3 2881 B19R3.171030 O[C@H]1CCCC[C@H]1Nc2nc3ccccc3s2 27a_100015191688_100000751744 [0,1,0,0,1,0|0,0,0]=2 2882 B19R3.171030 O[C@H]1CCCC[C@H]1Nc2nc3cccnc3s2 27a_100015191688_100010188088 [0,1,0,0,1,0|1,0,0]=3 2883 B19R3.171030 O[C@H]1CCOC[C@@H]1Nc2nc3ccccc3[nH]2 27a_100015739063_100009814255 [0,1,0,0,1,0|2,0,0]=4 2884 B19R3.171030 O[C@H]1CCOC[C@@H]1Nc2nc3ccccc3s2 27a_100015739063_100000751744 [0,1,0,0,1,0|1,0,0]=3 2885 B19R3.171030 O[C@H]1CCOC[C@@H]1Nc2nc3cccnc3s2 27a_100015739063_100010188088 [0,1,0,0,1,0|2,0,0]=4 2886 B19R3.171030 O[C@H]1COCC[C@H]1Nc2nc3ccccc3[nH]2 27a_100016994285_100009814255 [0,1,0,0,1,0|2,0,0]=4 2887 B19R3.171030 O[C@H]1COCC[C@H]1Nc2nc3ccccc3s2 27a_100016994285_100000751744 [0,1,0,0,1,0|1,0,0]=3 2888 B19R3.171030 O[C@H]1COCC[C@H]1Nc2nc3cccnc3s2 27a_100016994285_100010188088 [0,1,0,0,1,0|2,0,0]=4 2889 B19R3.241821 CC1CCC(CC1)Sc2nc3cccnc3s2 62a_100010188088_200011216234 [0,1,0,0,1,0|1,0,0]=3 2890 B19R3.241821 CC1CCN(CC1)Cc2nc3ccccc3s2 2230a_100000188429_100000766747 [0,1,0,0,1,0|2,0,0]=4 2891 B19R3.241821 CC1CCN(CC1)Cc2nc3ccccc3s2 269982a_100000188429_100011217541 [0,1,0,0,1,0|2,0,0]=4 2892 B19R3.241821 CC1CCN(CC1)Cc2nc3ccccc3s2 270004a_100000188429_100011204187 [0,1,0,0,1,0|2,0,0]=4 2893 B19R3.241821 CC1CCN(CC1)Cc2nc3ccccc3s2 34a_100000188429_100011217541 [0,1,0,0,1,0|2,0,0]=4 2894 B19R3.241821 CN1CCC(CC1)Nc2nc3ccccc3[nH]2 27a_100000198570_100009814255 [0,1,0,0,1,0|2,0,0]=4 2895 B19R3.241821 CN1CCC(CC1)Nc2nc3ccccc3s2 27a_100000198570_100000751744 [0,1,0,0,1,0|1,0,0]=3 2896 B19R3.241821 CN1CCC(CC1)Nc2nc3cccnc3s2 27a_100000198570_100010188088 [0,1,0,0,1,0|2,0,0]=4 2897 B19R3.241821 CN1CCC(CC1)Sc2nc3cccnc3s2 62a_100010188088_100011215917 [0,1,0,0,1,0|2,0,0]=4 2898 B19R3.241821 C[C@H]1CC[C@@H](CC1)Nc2nc3ccccc3[nH]2 27a_100020625639_100009814255 [0,1,0,0,1,0|1,0,0]=3 2899 B19R3.241821 C[C@H]1CC[C@@H](CC1)Nc2nc3ccccc3s2 27a_100020625639_100000751744 [0,1,0,0,1,0|0,0,0]=2 2900 B19R3.241821 C[C@H]1CC[C@@H](CC1)Nc2nc3cccnc3s2 27a_100020625639_100010188088 [0,1,0,0,1,0|1,0,0]=3 2901 B19R3.241821 FC1CCN(CC1)Cc2nc3ccccc3s2 2230a_100015193889_100000766747 [0,1,0,0,1,0|2,0,0]=4 2902 B19R3.241821 FC1CCN(CC1)Cc2nc3ccccc3s2 269982a_100015193889_100011217541 [0,1,0,0,1,0|2,0,0]=4 2903 B19R3.241821 FC1CCN(CC1)Cc2nc3ccccc3s2 270004a_100015193889_100011204187 [0,1,0,0,1,0|2,0,0]=4 2904 B19R3.241821 FC1CCN(CC1)Cc2nc3ccccc3s2 34a_100015193889_100011217541 [0,1,0,0,1,0|2,0,0]=4 2905 B19R3.241821 O=C1CCC(CN1)Nc2nc3ccccc3s2 27a_100000748762_100000751744 [0,1,0,0,1,0|1,0,1]=4 2906 B19R3.241821 OC1CCN(CC1)Cc2nc3ccccc3s2 2230a_100025773856_100000766747 [0,1,0,0,1,0|2,0,0]=4 2907 B19R3.241821 OC1CCN(CC1)Cc2nc3ccccc3s2 269982a_100025773856_100011217541 [0,1,0,0,1,0|2,0,0]=4 2908 B19R3.241821 OC1CCN(CC1)Cc2nc3ccccc3s2 270004a_100025773856_100011204187 [0,1,0,0,1,0|2,0,0]=4 2909 B19R3.241821 O[C@H]1CC[C@H](CC1)Nc2nc3ccccc3[nH]2 27a_100020628982_100009814255 [0,1,0,0,1,0|1,0,0]=3 2910 B19R3.241821 O[C@H]1CC[C@H](CC1)Nc2nc3ccccc3s2 27a_100020628982_100000751744 [0,1,0,0,1,0|0,0,0]=2 2911 B19R3.241821 O[C@H]1CC[C@H](CC1)Nc2nc3cccnc3s2 27a_100020628982_100010188088 [0,1,0,0,1,0|1,0,0]=3 2912 B19R3.1799922 CN(c1nc2ccccc2[nH]1)C3CCCCC3 27a_100000207522_100009814255 [0,1,0,0,1,0|1,0,0]=3 2913 B19R3.1799922 CN(c1nc2ccccc2[nH]1)C3CCOCC3 27a_100020587155_100009814255 [0,1,0,0,1,0|2,0,0]=4 2914 B19R3.1799922 CN(c1nc2ccccc2[nH]1)C3CCSCC3 27a_100015184757_100009814255 [0,1,0,0,1,0|2,0,0]=4 2915 B19R3.1799922 CN(c1nc2ccccc2s1)C3CCCCC3 27a_100000207522_100000751744 [0,1,0,0,1,0|0,0,0]=2 2916 B19R3.1799922 CN(c1nc2ccccc2s1)C3CCOCC3 27a_100020587155_100000751744 [0,1,0,0,1,0|1,0,0]=3 2917 B19R3.1799922 CN(c1nc2ccccc2s1)C3CCSCC3 27a_100015184757_100000751744 [0,1,0,0,1,0|1,0,0]=3 2918 B19R3.1799922 CN(c1nc2cccnc2s1)C3CCCCC3 27a_100000207522_100010188088 [0,1,0,0,1,0|1,0,0]=3 2919 B19R3.1799922 CN(c1nc2cccnc2s1)C3CCOCC3 27a_100020587155_100010188088 [0,1,0,0,1,0|2,0,0]=4 2920 B19R3.1799922 CN(c1nc2cccnc2s1)C3CCSCC3 27a_100015184757_100010188088 [0,1,0,0,1,0|2,0,0]=4 2921 B19R3.7620222 CC1(CCOCC1)Nc2nc3ccccc3[nH]2 27a_100000692449_100009814255 [0,1,0,0,1,0|2,0,0]=4 2922 B19R3.7620222 CC1(CCOCC1)Nc2nc3ccccc3s2 27a_100000692449_100000751744 [0,1,0,0,1,0|1,0,0]=3 2923 B19R3.7620222 CC1(CCOCC1)Nc2nc3cccnc3s2 27a_100000692449_100010188088 [0,1,0,0,1,0|2,0,0]=4 2924 B21R3.505 Cc1nc2ccccc2nc1SCC3CCCCC3 62a_100000211423_100000185947 [0,1,0,0,0,1|2,0,0]=4 2925 B21R3.505 Cc1nc2ccccc2nc1SCC3CCCCC3 62a_100000757254_100000211423 [0,1,0,0,0,1|2,0,0]=4 2926 B21R3.505 Clc1nc2ccccc2cc1CNC3CCCCC3 2230a_100000182618_100000189640 [0,1,0,0,0,1|2,0,0]=4 2927 B21R3.505 Clc1nc2ccccc2cc1CNC3CCCCC3 34a_100000182618_100000189640 [0,1,0,0,0,1|2,0,0]=4 2928 B21R3.505 Nc1nc2ccccc2cc1SCC3CCCCC3 62a_100010135404_100000211423 [0,1,0,0,0,1|2,0,0]=4 2929 B21R3.505 Oc1cc2ccccc2nc1SCC3CCCCC3 62a_100000211423_200000100762 [0,1,0,0,0,1|2,0,0]=4 2930 B21R3.505 Oc1nc2ccccc2cc1CNC3CCCCC3 207a_100000182618_100000184424 [0,1,0,0,0,1|2,0,0]=4 2931 B21R3.505 Oc1nc2ccccc2cc1CNC3CCCCC3 270004a_100000182618_100000184424 [0,1,0,0,0,1|2,0,0]=4 2932 B21R3.505 Oc1nc2ccccc2cc1SCC3CCCCC3 62a_100000211423_200009820883 [0,1,0,0,0,1|2,0,0]=4 2933 B21R3.24438 CC(NC1CCCCC1)c2cc3ccccc3cn2 269862a_100000182618_200000084103 [0,1,0,0,0,1|2,0,0]=4 2934 B21R3.24438 CC(NC1CCCCC1)c2ccc3ccccc3n2 269862a_100000182618_100000684817 [0,1,0,0,0,1|2,0,0]=4 2935 B21R3.24438 CC(NC1CCCCC1)c2cnc3ccccc3c2 269862a_100000182618_100011376191 [0,1,0,0,0,1|2,0,0]=4 2936 B21R3.24438 CC(NC1CCCCC1)c2cnc3ccccc3n2 269862a_100000182618_100011830413 [0,1,0,0,0,1|2,0,0]=4 2937 B21R3.24492 CN(Cc1cc2ccccc2cn1)C3CCCCC3 2230a_100000207522_100009869231 [0,1,0,0,0,1|2,0,0]=4 2938 B21R3.24492 CN(Cc1cc2ccccc2cn1)C3CCCCC3 269982a_100000207522_100009869231 [0,1,0,0,0,1|2,0,0]=4 2939 B21R3.24492 CN(Cc1cc2ccccc2cn1)C3CCCCC3 270004a_100000207522_100000059776 [0,1,0,0,0,1|2,0,0]=4 2940 B21R3.24492 CN(Cc1cc2ccccc2cn1)C3CCCCC3 34a_100000207522_100009869231 [0,1,0,0,0,1|2,0,0]=4 2941 B21R3.24492 CN(Cc1ccc2ccccc2n1)C3CCCCC3 2230a_100000207522_100000737579 [0,1,0,0,0,1|2,0,0]=4 2942 B21R3.24492 CN(Cc1ccc2ccccc2n1)C3CCCCC3 270004a_100000207522_100000759686 [0,1,0,0,0,1|2,0,0]=4 2943 B21R3.24492 CN(Cc1ccc2ccccc2n1)C3CCCCC3 34a_100000207522_100000737579 [0,1,0,0,0,1|2,0,0]=4 2944 B21R3.24492 CN(Cc1cnc2ccccc2c1)C3CCCCC3 269982a_100011875994_100000210327 [0,1,0,0,0,1|2,0,0]=4 2945 B21R3.24492 CN(Cc1cnc2ccccc2c1)C3CCCCC3 270004a_100000207522_100000750898 [0,1,0,0,0,1|2,0,0]=4 2946 B21R3.24492 CN(Cc1cnc2ccccc2c1)C3CCCCC3 270004a_100011875994_100000210434 [0,1,0,0,0,1|2,0,0]=4 2947 B21R3.24492 CN(Cc1cnc2ccccc2n1)C3CCCCC3 269982a_100015184070_100000210327 [0,1,0,0,0,1|2,0,0]=4 2948 B21R3.24492 CN(Cc1cnc2ccccc2n1)C3CCCCC3 270004a_100000207522_100000204677 [0,1,0,0,0,1|2,0,0]=4 2949 B21R3.24492 CN(Cc1cnc2ccccc2n1)C3CCCCC3 270004a_100015184070_100000210434 [0,1,0,0,0,1|2,0,0]=4 2950 B21R3.24492 CN(Cc1ncc2ccccc2n1)C3CCCCC3 34a_100000207522_100009868571 [0,1,0,0,0,1|2,0,0]=4 2951 B21R3.30927 CC1CCC(CC1)NCc2cnc3ccccc3c2 270004a_100000742225_100000185489 [0,1,0,0,0,1|2,0,0]=4 2952 B21R3.30927 CC1CCC(CC1)NCc2cnc3ccccc3c2 34a_100000742225_200011216234 [0,1,0,0,0,1|2,0,0]=4 2953 B21R3.30927 C[C@H]1CC[C@@H](CC1)NCc2cc3ccccc3cn2 207a_100020625639_100000059776 [0,1,0,0,0,1|2,0,0]=4 2954 B21R3.30927 C[C@H]1CC[C@@H](CC1)NCc2cc3ccccc3cn2 2230a_100020625639_100009869231 [0,1,0,0,0,1|2,0,0]=4 2955 B21R3.30927 C[C@H]1CC[C@@H](CC1)NCc2cc3ccccc3cn2 270004a_100020625639_100000059776 [0,1,0,0,0,1|2,0,0]=4 2956 B21R3.30927 C[C@H]1CC[C@@H](CC1)NCc2cc3ccccc3cn2 34a_100020625639_100009869231 [0,1,0,0,0,1|2,0,0]=4 2957 B21R3.30927 C[C@H]1CC[C@@H](CC1)NCc2ccc3ccccc3n2 207a_100020625639_100000759686 [0,1,0,0,0,1|2,0,0]=4 2958 B21R3.30927 C[C@H]1CC[C@@H](CC1)NCc2ccc3ccccc3n2 2230a_100020625639_100000737579 [0,1,0,0,0,1|2,0,0]=4 2959 B21R3.30927 C[C@H]1CC[C@@H](CC1)NCc2ccc3ccccc3n2 270004a_100020625639_100000759686 [0,1,0,0,0,1|2,0,0]=4 2960 B21R3.30927 C[C@H]1CC[C@@H](CC1)NCc2ccc3ccccc3n2 34a_100020625639_100000737579 [0,1,0,0,0,1|2,0,0]=4 2961 B21R3.30927 C[C@H]1CC[C@@H](CC1)NCc2cnc3ccccc3c2 207a_100020625639_100000750898 [0,1,0,0,0,1|2,0,0]=4 2962 B21R3.30927 C[C@H]1CC[C@@H](CC1)NCc2cnc3ccccc3c2 270004a_100020625639_100000750898 [0,1,0,0,0,1|2,0,0]=4 2963 B21R3.30927 C[C@H]1CC[C@@H](CC1)NCc2cnc3ccccc3n2 270004a_100020625639_100000204677 [0,1,0,0,0,1|2,0,0]=4 2964 B21R3.30927 C[C@H]1CC[C@@H](CC1)NCc2ncc3ccccc3n2 34a_100020625639_100009868571 [0,1,0,0,0,1|2,0,0]=4 2965 B21R3.30927 OC1CCC(CC1)NCc2cnc3ccccc3c2 270004a_100000742225_100000764474 [0,1,0,0,0,1|2,0,0]=4 2966 B21R3.30927 O[C@H]1CC[C@H](CC1)NCc2cc3ccccc3cn2 207a_100020628982_100000059776 [0,1,0,0,0,1|2,0,0]=4 2967 B21R3.30927 O[C@H]1CC[C@H](CC1)NCc2cc3ccccc3cn2 270004a_100020628982_100000059776 [0,1,0,0,0,1|2,0,0]=4 2968 B21R3.30927 O[C@H]1CC[C@H](CC1)NCc2ccc3ccccc3n2 207a_100020628982_100000759686 [0,1,0,0,0,1|2,0,0]=4 2969 B21R3.30927 O[C@H]1CC[C@H](CC1)NCc2ccc3ccccc3n2 270004a_100020628982_100000759686 [0,1,0,0,0,1|2,0,0]=4 2970 B21R3.30927 O[C@H]1CC[C@H](CC1)NCc2cnc3ccccc3c2 207a_100020628982_100000750898 [0,1,0,0,0,1|2,0,0]=4 2971 B21R3.30927 O[C@H]1CC[C@H](CC1)NCc2cnc3ccccc3c2 270004a_100020628982_100000750898 [0,1,0,0,0,1|2,0,0]=4 2972 B21R3.30927 O[C@H]1CC[C@H](CC1)NCc2cnc3ccccc3n2 270004a_100020628982_100000204677 [0,1,0,0,0,1|2,0,0]=4 2973 B21R3.153116 Brc1ccc2ncc(cc2c1)CNC3CCCCC3 207a_100000182618_100010174008 [0,1,0,0,0,1|2,0,0]=4 2974 B21R3.153116 Brc1ccc2ncc(cc2c1)CNC3CCCCC3 270004a_100000182618_100010174008 [0,1,0,0,0,1|2,0,0]=4 2975 B21R3.153116 Clc1ccc2ccc(nc2c1)CNC3CCCCC3 207a_100000182618_100000083681 [0,1,0,0,0,1|2,0,0]=4 2976 B21R3.153116 Clc1ccc2ccc(nc2c1)CNC3CCCCC3 2230a_100000182618_100010196396 [0,1,0,0,0,1|2,0,0]=4 2977 B21R3.153116 Clc1ccc2ccc(nc2c1)CNC3CCCCC3 270004a_100000182618_100000083681 [0,1,0,0,0,1|2,0,0]=4 2978 B21R3.153116 Clc1ccc2ccc(nc2c1)CNC3CCCCC3 34a_100000182618_100010196396 [0,1,0,0,0,1|2,0,0]=4 2979 B21R3.153116 Clc1ccc2ncc(cc2c1)CNC3CCCCC3 207a_100000182618_200000110299 [0,1,0,0,0,1|2,0,0]=4 2980 B21R3.153116 Clc1ccc2ncc(cc2c1)CNC3CCCCC3 270004a_100000182618_200000110299 [0,1,0,0,0,1|2,0,0]=4 2981 B21R3.153116 Fc1ccc2cnc(nc2c1)SCC3CCCCC3 62a_100000104070_100000211423 [0,1,0,0,0,1|2,0,0]=4 2982 B21R3.153116 Fc1ccc2cnc(nc2c1)SCC3CCCCC3 62a_100000211423_100000104070 [0,1,0,0,0,1|2,0,0]=4 2983 B21R3.153116 Nc1ccc2ncc(cc2c1)SCC3CCCCC3 62a_100000211423_100009888932 [0,1,0,0,0,1|2,0,0]=4 2984 B21R3.153116 Nc1ccc2ncc(cc2c1)SCC3CCCCC3 62a_100009888932_100000211423 [0,1,0,0,0,1|2,0,0]=4 2985 B21R3.153116 Oc1ccc2ccc(nc2c1)SCC3CCCCC3 62a_100000211423_100000079174 [0,1,0,0,0,1|2,0,0]=4 2986 B21R3.153116 Oc1ccc2ncc(cc2c1)SCC3CCCCC3 62a_100000211423_100010137430 [0,1,0,0,0,1|2,0,0]=4 2987 B21R3.153116 Oc1ccc2ncc(nc2c1)SCC3CCCCC3 62a_100000211423_200020640061 [0,1,0,0,0,1|2,0,0]=4 2988 B21R3.153330 Cc1ccc2nc(ccc2c1)CNC3CCCCC3 2230a_100000182618_100009884411 [0,1,0,0,0,1|2,0,0]=4 2989 B21R3.153330 Cc1ccc2nc(ccc2c1)CNC3CCCCC3 34a_100000182618_100009884411 [0,1,0,0,0,1|2,0,0]=4 2990 B21R3.153330 Clc1ccc2cc(ncc2c1)CNC3CCCCC3 2230a_100000182618_200010408301 [0,1,0,0,0,1|2,0,0]=4 2991 B21R3.153330 Clc1ccc2cc(ncc2c1)CNC3CCCCC3 34a_100000182618_200010408301 [0,1,0,0,0,1|2,0,0]=4 2992 B21R3.153330 Clc1ccc2nc(ccc2c1)CNC3CCCCC3 207a_100000182618_100000059782 [0,1,0,0,0,1|2,0,0]=4 2993 B21R3.153330 Clc1ccc2nc(ccc2c1)CNC3CCCCC3 270004a_100000182618_100000059782 [0,1,0,0,0,1|2,0,0]=4 2994 B21R3.153330 Fc1ccc2nc(ccc2c1)CNC3CCCCC3 207a_100000182618_100000068074 [0,1,0,0,0,1|2,0,0]=4 2995 B21R3.153330 Fc1ccc2nc(ccc2c1)CNC3CCCCC3 270004a_100000182618_100000068074 [0,1,0,0,0,1|2,0,0]=4 2996 B21R3.153330 Fc1ccc2nc(cnc2c1)SCC3CCCCC3 62a_100000098432_100000211423 [0,1,0,0,0,1|2,0,0]=4 2997 B21R3.153330 Fc1ccc2nc(cnc2c1)SCC3CCCCC3 62a_100000211423_100000098432 [0,1,0,0,0,1|2,0,0]=4 2998 B21R3.153330 Nc1ccc2cc(cnc2c1)SCC3CCCCC3 62a_100000211423_200010264087 [0,1,0,0,0,1|2,0,0]=4 2999 B21R3.153330 Nc1ccc2cc(cnc2c1)SCC3CCCCC3 62a_200010264087_100000211423 [0,1,0,0,0,1|2,0,0]=4 3000 B21R3.153330 Nc1ccc2nc(cnc2c1)SCC3CCCCC3 62a_100000211423_100009885871 [0,1,0,0,0,1|2,0,0]=4 3001 B21R3.153330 Oc1ccc2cc(cnc2c1)SCC3CCCCC3 62a_100000211423_200010153753 [0,1,0,0,0,1|2,0,0]=4 3002 B21R3.153330 Oc1ccc2nc(ccc2c1)SCC3CCCCC3 62a_100000211423_100009849208 [0,1,0,0,0,1|2,0,0]=4 3003 B21R3.153330 Oc1ccc2nc(cnc2c1)SCC3CCCCC3 62a_100000211423_200010664160 [0,1,0,0,0,1|2,0,0]=4 3004 B21R3.218733 CC1CCCCC1NCc2cc3ccccc3cn2 207a_100000211402_100000059776 [0,1,0,0,0,1|2,0,0]=4 3005 B21R3.218733 CC1CCCCC1NCc2cc3ccccc3cn2 2230a_100000211402_100009869231 [0,1,0,0,0,1|2,0,0]=4 3006 B21R3.218733 CC1CCCCC1NCc2cc3ccccc3cn2 270004a_100000211402_100000059776 [0,1,0,0,0,1|2,0,0]=4 3007 B21R3.218733 CC1CCCCC1NCc2cc3ccccc3cn2 34a_100000211402_100009869231 [0,1,0,0,0,1|2,0,0]=4 3008 B21R3.218733 CC1CCCCC1NCc2ccc3ccccc3n2 207a_100000211402_100000759686 [0,1,0,0,0,1|2,0,0]=4 3009 B21R3.218733 CC1CCCCC1NCc2ccc3ccccc3n2 2230a_100000211402_100000737579 [0,1,0,0,0,1|2,0,0]=4 3010 B21R3.218733 CC1CCCCC1NCc2ccc3ccccc3n2 270004a_100000211402_100000759686 [0,1,0,0,0,1|2,0,0]=4 3011 B21R3.218733 CC1CCCCC1NCc2ccc3ccccc3n2 34a_100000211402_100000737579 [0,1,0,0,0,1|2,0,0]=4 3012 B21R3.218733 CC1CCCCC1NCc2cnc3ccccc3c2 207a_100000211402_100000750898 [0,1,0,0,0,1|2,0,0]=4 3013 B21R3.218733 CC1CCCCC1NCc2cnc3ccccc3c2 269862a_100000742225_100000210921 [0,1,0,0,0,1|2,0,0]=4 3014 B21R3.218733 CC1CCCCC1NCc2cnc3ccccc3c2 270004a_100000211402_100000750898 [0,1,0,0,0,1|2,0,0]=4 3015 B21R3.218733 CC1CCCCC1NCc2cnc3ccccc3c2 270004a_100000742225_100000210921 [0,1,0,0,0,1|2,0,0]=4 3016 B21R3.218733 CC1CCCCC1NCc2cnc3ccccc3n2 270004a_100000211402_100000204677 [0,1,0,0,0,1|2,0,0]=4 3017 B21R3.218733 CC1CCCCC1NCc2ncc3ccccc3n2 34a_100000211402_100009868571 [0,1,0,0,0,1|2,0,0]=4 3018 B21R3.218733 FC1CCCCC1NCc2cnc3ccccc3c2 34a_100000742225_100015423560 [0,1,0,0,0,1|2,0,0]=4 3019 B21R3.218733 F[C@@H]1CCCC[C@H]1NCc2cc3ccccc3cn2 207a_100015195156_100000059776 [0,1,0,0,0,1|2,0,0]=4 3020 B21R3.218733 F[C@@H]1CCCC[C@H]1NCc2cc3ccccc3cn2 2230a_100015195156_100009869231 [0,1,0,0,0,1|2,0,0]=4 3021 B21R3.218733 F[C@@H]1CCCC[C@H]1NCc2cc3ccccc3cn2 270004a_100015195156_100000059776 [0,1,0,0,0,1|2,0,0]=4 3022 B21R3.218733 F[C@@H]1CCCC[C@H]1NCc2cc3ccccc3cn2 34a_100015195156_100009869231 [0,1,0,0,0,1|2,0,0]=4 3023 B21R3.218733 F[C@@H]1CCCC[C@H]1NCc2ccc3ccccc3n2 207a_100015195156_100000759686 [0,1,0,0,0,1|2,0,0]=4 3024 B21R3.218733 F[C@@H]1CCCC[C@H]1NCc2ccc3ccccc3n2 2230a_100015195156_100000737579 [0,1,0,0,0,1|2,0,0]=4 3025 B21R3.218733 F[C@@H]1CCCC[C@H]1NCc2ccc3ccccc3n2 270004a_100015195156_100000759686 [0,1,0,0,0,1|2,0,0]=4 3026 B21R3.218733 F[C@@H]1CCCC[C@H]1NCc2ccc3ccccc3n2 34a_100015195156_100000737579 [0,1,0,0,0,1|2,0,0]=4 3027 B21R3.218733 F[C@@H]1CCCC[C@H]1NCc2cnc3ccccc3c2 207a_100015195156_100000750898 [0,1,0,0,0,1|2,0,0]=4 3028 B21R3.218733 F[C@@H]1CCCC[C@H]1NCc2cnc3ccccc3c2 270004a_100015195156_100000750898 [0,1,0,0,0,1|2,0,0]=4 3029 B21R3.218733 F[C@@H]1CCCC[C@H]1NCc2cnc3ccccc3n2 270004a_100015195156_100000204677 [0,1,0,0,0,1|2,0,0]=4 3030 B21R3.218733 F[C@@H]1CCCC[C@H]1NCc2ncc3ccccc3n2 34a_100015195156_100009868571 [0,1,0,0,0,1|2,0,0]=4 3031 B21R3.218733 OC1CCCCC1NCc2cnc3ccccc3c2 34a_100000742225_100000038908 [0,1,0,0,0,1|2,0,0]=4 3032 B21R3.218733 O[C@H]1CCCC[C@H]1NCc2cc3ccccc3cn2 207a_100015191688_100000059776 [0,1,0,0,0,1|2,0,0]=4 3033 B21R3.218733 O[C@H]1CCCC[C@H]1NCc2cc3ccccc3cn2 270004a_100015191688_100000059776 [0,1,0,0,0,1|2,0,0]=4 3034 B21R3.218733 O[C@H]1CCCC[C@H]1NCc2ccc3ccccc3n2 207a_100015191688_100000759686 [0,1,0,0,0,1|2,0,0]=4 3035 B21R3.218733 O[C@H]1CCCC[C@H]1NCc2ccc3ccccc3n2 270004a_100015191688_100000759686 [0,1,0,0,0,1|2,0,0]=4 3036 B21R3.218733 O[C@H]1CCCC[C@H]1NCc2cnc3ccccc3c2 207a_100015191688_100000750898 [0,1,0,0,0,1|2,0,0]=4 3037 B21R3.218733 O[C@H]1CCCC[C@H]1NCc2cnc3ccccc3c2 270004a_100015191688_100000750898 [0,1,0,0,0,1|2,0,0]=4 3038 B21R3.218733 O[C@H]1CCCC[C@H]1NCc2cnc3ccccc3n2 270004a_100015191688_100000204677 [0,1,0,0,0,1|2,0,0]=4 3039 B21R3.397713 Nc1cccc2c1ncc(c2)SCC3CCCCC3 62a_100000211423_100000702407 [0,1,0,0,0,1|2,0,0]=4 3040 B21R3.444247 Cc1nc(nc2c1cccc2)CNC3CCCCC3 2230a_100000182618_100000736427 [0,1,0,0,0,1|2,0,0]=4 3041 B21R3.444247 Cc1nc(nc2c1cccc2)CNC3CCCCC3 34a_100000182618_100000736427 [0,1,0,0,0,1|2,0,0]=4 3042 B21R3.444247 Cc1nc(nc2c1cccc2)SCC3CCCCC3 62a_100000046098_100000211423 [0,1,0,0,0,1|2,0,0]=4 3043 B21R3.444247 Cc1nc(nc2c1cccc2)SCC3CCCCC3 62a_100000211423_100000046098 [0,1,0,0,0,1|2,0,0]=4 3044 B21R3.444247 Nc1cc(nc2c1cccc2)SCC3CCCCC3 62a_100010197925_100000211423 [0,1,0,0,0,1|2,0,0]=4 3045 B21R3.444247 Nc1nc(cc2c1cccc2)SCC3CCCCC3 62a_100000211423_100009957331 [0,1,0,0,0,1|2,0,0]=4 3046 B21R3.444247 Nc1nc(cc2c1cccc2)SCC3CCCCC3 62a_100009957331_100000211423 [0,1,0,0,0,1|2,0,0]=4 3047 B21R3.444247 Nc1nc(nc2c1cccc2)SCC3CCCCC3 62a_100000690328_100000211423 [0,1,0,0,0,1|2,0,0]=4 3048 B21R3.444247 O=c1[nH]c(nc2c1cccc2)CNC3CCCCC3 2230a_100000182618_100000182789 [0,1,0,0,0,1|2,0,0]=4 3049 B21R3.444247 Oc1nc(nc2c1cccc2)SCC3CCCCC3 62a_100000211423_100000187174 [0,1,0,0,0,1|2,0,0]=4 3050 B21R3.469780 CC1CCCC(C1)NCc2cc3ccccc3cn2 207a_100011194320_100000059776 [0,1,0,0,0,1|2,0,0]=4 3051 B21R3.469780 CC1CCCC(C1)NCc2cc3ccccc3cn2 2230a_100011194320_100009869231 [0,1,0,0,0,1|2,0,0]=4 3052 B21R3.469780 CC1CCCC(C1)NCc2cc3ccccc3cn2 270004a_100011194320_100000059776 [0,1,0,0,0,1|2,0,0]=4 3053 B21R3.469780 CC1CCCC(C1)NCc2cc3ccccc3cn2 34a_100011194320_100009869231 [0,1,0,0,0,1|2,0,0]=4 3054 B21R3.469780 CC1CCCC(C1)NCc2ccc3ccccc3n2 207a_100011194320_100000759686 [0,1,0,0,0,1|2,0,0]=4 3055 B21R3.469780 CC1CCCC(C1)NCc2ccc3ccccc3n2 2230a_100011194320_100000737579 [0,1,0,0,0,1|2,0,0]=4 3056 B21R3.469780 CC1CCCC(C1)NCc2ccc3ccccc3n2 270004a_100011194320_100000759686 [0,1,0,0,0,1|2,0,0]=4 3057 B21R3.469780 CC1CCCC(C1)NCc2ccc3ccccc3n2 34a_100011194320_100000737579 [0,1,0,0,0,1|2,0,0]=4 3058 B21R3.469780 CC1CCCC(C1)NCc2cnc3ccccc3c2 207a_100011194320_100000750898 [0,1,0,0,0,1|2,0,0]=4 3059 B21R3.469780 CC1CCCC(C1)NCc2cnc3ccccc3c2 270004a_100000742225_100000183594 [0,1,0,0,0,1|2,0,0]=4 3060 B21R3.469780 CC1CCCC(C1)NCc2cnc3ccccc3c2 270004a_100011194320_100000750898 [0,1,0,0,0,1|2,0,0]=4 3061 B21R3.469780 CC1CCCC(C1)NCc2cnc3ccccc3n2 270004a_100011194320_100000204677 [0,1,0,0,0,1|2,0,0]=4 3062 B21R3.469780 CC1CCCC(C1)NCc2ncc3ccccc3n2 34a_100011194320_100009868571 [0,1,0,0,0,1|2,0,0]=4 3063 B21R3.469780 OC1CCCC(C1)NCc2cc3ccccc3cn2 207a_100015190357_100000059776 [0,1,0,0,0,1|2,0,0]=4 3064 B21R3.469780 OC1CCCC(C1)NCc2cc3ccccc3cn2 2230a_100015190357_100009869231 [0,1,0,0,0,1|2,0,0]=4 3065 B21R3.469780 OC1CCCC(C1)NCc2cc3ccccc3cn2 270004a_100015190357_100000059776 [0,1,0,0,0,1|2,0,0]=4 3066 B21R3.469780 OC1CCCC(C1)NCc2ccc3ccccc3n2 207a_100015190357_100000759686 [0,1,0,0,0,1|2,0,0]=4 3067 B21R3.469780 OC1CCCC(C1)NCc2ccc3ccccc3n2 2230a_100015190357_100000737579 [0,1,0,0,0,1|2,0,0]=4 3068 B21R3.469780 OC1CCCC(C1)NCc2ccc3ccccc3n2 270004a_100015190357_100000759686 [0,1,0,0,0,1|2,0,0]=4 3069 B21R3.469780 OC1CCCC(C1)NCc2cnc3ccccc3c2 207a_100015190357_100000750898 [0,1,0,0,0,1|2,0,0]=4 3070 B21R3.469780 OC1CCCC(C1)NCc2cnc3ccccc3c2 270004a_100000742225_100012613340 [0,1,0,0,0,1|2,0,0]=4 3071 B21R3.469780 OC1CCCC(C1)NCc2cnc3ccccc3c2 270004a_100015190357_100000750898 [0,1,0,0,0,1|2,0,0]=4 3072 B21R3.469780 OC1CCCC(C1)NCc2cnc3ccccc3n2 270004a_100015190357_100000204677 [0,1,0,0,0,1|2,0,0]=4 3073 B21R3.3944604 Clc1c(cnc2c1cccc2)CNC3CCCCC3 270004a_100000182618_100000037458 [0,1,0,0,0,1|2,0,0]=4 3074 B21R3.3944604 Nc1c(cnc2c1cccc2)SCC3CCCCC3 62a_100000211423_100009995562 [0,1,0,0,0,1|2,0,0]=4 3075 B21R3.3944604 Nc1c(cnc2c1cccc2)SCC3CCCCC3 62a_100009995562_100000211423 [0,1,0,0,0,1|2,0,0]=4 3076 B21R3.3944604 Nc1c(ncc2c1cccc2)SCC3CCCCC3 62a_100000211423_100000087573 [0,1,0,0,0,1|2,0,0]=4 3077 B21R3.3944604 Nc1c(ncc2c1cccc2)SCC3CCCCC3 62a_100009995564_100000211423 [0,1,0,0,0,1|2,0,0]=4 3078 B21R3.3944604 Oc1c(nnc2c1cccc2)SCC3CCCCC3 62a_100000211423_100000688347 [0,1,0,0,0,1|2,0,0]=4 3079 B21R3.4616280 CC1(CCCCC1)NCc2cc3ccccc3cn2 207a_100000741114_100000059776 [0,1,0,0,0,1|2,0,0]=4 3080 B21R3.4616280 CC1(CCCCC1)NCc2cc3ccccc3cn2 2230a_100000741114_100009869231 [0,1,0,0,0,1|2,0,0]=4 3081 B21R3.4616280 CC1(CCCCC1)NCc2cc3ccccc3cn2 270004a_100000741114_100000059776 [0,1,0,0,0,1|2,0,0]=4 3082 B21R3.4616280 CC1(CCCCC1)NCc2cc3ccccc3cn2 34a_100000741114_100009869231 [0,1,0,0,0,1|2,0,0]=4 3083 B21R3.4616280 CC1(CCCCC1)NCc2ccc3ccccc3n2 207a_100000741114_100000759686 [0,1,0,0,0,1|2,0,0]=4 3084 B21R3.4616280 CC1(CCCCC1)NCc2ccc3ccccc3n2 2230a_100000741114_100000737579 [0,1,0,0,0,1|2,0,0]=4 3085 B21R3.4616280 CC1(CCCCC1)NCc2ccc3ccccc3n2 270004a_100000741114_100000759686 [0,1,0,0,0,1|2,0,0]=4 3086 B21R3.4616280 CC1(CCCCC1)NCc2ccc3ccccc3n2 34a_100000741114_100000737579 [0,1,0,0,0,1|2,0,0]=4 3087 B21R3.4616280 CC1(CCCCC1)NCc2cnc3ccccc3c2 207a_100000741114_100000750898 [0,1,0,0,0,1|2,0,0]=4 3088 B21R3.4616280 CC1(CCCCC1)NCc2cnc3ccccc3c2 270004a_100000741114_100000750898 [0,1,0,0,0,1|2,0,0]=4 3089 B21R3.4616280 CC1(CCCCC1)NCc2cnc3ccccc3n2 270004a_100000741114_100000204677 [0,1,0,0,0,1|2,0,0]=4 3090 B21R3.4616280 CC1(CCCCC1)NCc2ncc3ccccc3n2 34a_100000741114_100009868571 [0,1,0,0,0,1|2,0,0]=4 3091 B21R3.6681832 Clc1cccc2c1nc(cc2)CNC3CCCCC3 207a_100000182618_200000068262 [0,1,0,0,0,1|2,0,0]=4 3092 B21R3.6681832 Clc1cccc2c1nc(cc2)CNC3CCCCC3 270004a_100000182618_200000068262 [0,1,0,0,0,1|2,0,0]=4 3093 B21R3.6681832 Fc1cccc2c1nc(cc2)CNC3CCCCC3 207a_100000182618_100000068176 [0,1,0,0,0,1|2,0,0]=4 3094 B21R3.6681832 Fc1cccc2c1nc(cc2)CNC3CCCCC3 270004a_100000182618_100000068176 [0,1,0,0,0,1|2,0,0]=4 3095 B21R3.6681832 Nc1cccc2c1cc(cn2)SCC3CCCCC3 62a_100000211423_100010264086 [0,1,0,0,0,1|2,0,0]=4 3096 B21R3.6681832 Nc1cccc2c1cc(cn2)SCC3CCCCC3 62a_100010264086_100000211423 [0,1,0,0,0,1|2,0,0]=4 3097 B21R3.6681832 Oc1cccc2c1cc(cn2)SCC3CCCCC3 62a_100000211423_200010153752 [0,1,0,0,0,1|2,0,0]=4 3098 B21R3.6681832 Oc1cccc2c1nc(cc2)SCC3CCCCC3 62a_100000211423_100000013812 [0,1,0,0,0,1|2,0,0]=4 3099 B21R3.6681832 Oc1cccc2c1nc(nc2)SCC3CCCCC3 62a_100000211423_100010674811 [0,1,0,0,0,1|2,0,0]=4 3100 B21R3.13048 Brc1c(sc2c1cccc2)C=NNC3CCCCC3 4a_100000709804_100009816528 [0,1,0,0,0,1|2,0,0]=4 3101 B21R3.13048 Cc1c(sc2c1cccc2)C=NNC3CCCCC3 4a_100000709804_100000038699 [0,1,0,0,0,1|2,0,0]=4 3102 B21R3.13048 Cc1c(sc2c1cccc2)CNCC3CCCCC3 207a_100000210473_100000038699 [0,1,0,0,0,1|2,0,0]=4 3103 B21R3.13048 Cc1c(sc2c1cccc2)CNCC3CCCCC3 270004a_100000210473_100000038699 [0,1,0,0,0,1|2,0,0]=4 3104 B21R3.13048 Clc1c(sc2c1cccc2)C=NNC3CCCCC3 4a_100000709804_100000017830 [0,1,0,0,0,1|2,0,0]=4 3105 B21R3.13048 Cn1c(nc2c1cccc2)C=NNC3CCCCC3 4a_100000709804_100000188960 [0,1,0,0,0,1|2,0,0]=4 3106 B21R3.13048 Cn1c(nc2c1cccc2)CNCC3CCCCC3 207a_100000210473_100000188960 [0,1,0,0,0,1|2,0,0]=4 3107 B21R3.13048 Cn1c(nc2c1cccc2)CNCC3CCCCC3 2230a_100000210473_100000748711 [0,1,0,0,0,1|2,0,0]=4 3108 B21R3.13048 Cn1c(nc2c1cccc2)CNCC3CCCCC3 269862a_100000700934_100000211278 [0,1,0,0,0,1|2,0,0]=4 3109 B21R3.13048 Cn1c(nc2c1cccc2)CNCC3CCCCC3 270004a_100000210473_100000188960 [0,1,0,0,0,1|2,0,0]=4 3110 B21R3.13048 Cn1c(nc2c1cccc2)CNCC3CCCCC3 34a_100000210473_100000748711 [0,1,0,0,0,1|2,0,0]=4 3111 B21R3.13048 Cn1c(nc2c1cccc2)CSCC3CCCCC3 62a_100000748711_100000211423 [0,1,0,0,0,1|2,0,0]=4 3112 B21R3.13048 Cn1c(nc2c1cccc2)SCCC3CCCCC3 62a_100012355289_200000239431 [0,1,0,0,0,1|2,0,0]=4 3113 B21R3.13048 Cn1c(nc2c1cccc2)SCCC3CCCCC3 62a_200000239431_100012355289 [0,1,0,0,0,1|2,0,0]=4 3114 B21R3.13048 Cn1c(nc2c1cccc2)SCOC3CCCCC3 62a_100011935260_200000239431 [0,1,0,0,0,1|2,0,0]=4 3115 B21R3.13048 Cn1c(nc2c1cccc2)SCOC3CCCCC3 62a_200000239431_100011935260 [0,1,0,0,0,1|2,0,0]=4 3116 B21R3.24408 CC(=NNc1nc2ccccc2s1)C3CCCCC3 4a_100000181811_100000210989 [0,1,0,0,0,1|1,0,1]=4 3117 B21R3.24408 CC(NCc1cc2ccccc2s1)C3CCCCC3 269862a_100015187092_100000210989 [0,1,0,0,0,1|2,0,0]=4 3118 B21R3.24408 CC(OCc1nc2ccccc2s1)C3CCCCC3 34a_100011216961_100011217541 [0,1,0,0,0,1|1,1,0]=4 3119 B21R3.24408 CC(OCc1nc2ccccc2s1)C3CCCCC3 7a_100011216961_100011217541 [0,1,0,0,0,1|1,1,0]=4 3120 B21R3.24408 CN(CCc1nc2ccccc2[nH]1)C3CCCCC3 269982a_100000207522_100015206048 [0,1,0,0,0,1|2,0,0]=4 3121 B21R3.24408 CN(CCc1nc2ccccc2[nH]1)C3CCCCC3 269982a_100015206297_100000210327 [0,1,0,0,0,1|2,0,0]=4 3122 B21R3.24408 CN(CCc1nc2ccccc2[nH]1)C3CCCCC3 270004a_100015206297_100000210434 [0,1,0,0,0,1|2,0,0]=4 3123 B21R3.24408 C[C@@H](NCc1cc2ccccc2s1)C3CCCCC3 207a_100025707633_100000686906 [0,1,0,0,0,1|2,0,0]=4 3124 B21R3.24408 C[C@@H](NCc1cc2ccccc2s1)C3CCCCC3 270004a_100025707633_100000686906 [0,1,0,0,0,1|2,0,0]=4 3125 B21R3.24408 C[C@@H](NCc1nc2ccccc2[nH]1)C3CCCCC3 207a_100025707633_100000185668 [0,1,0,0,0,1|2,0,0]=4 3126 B21R3.24408 C[C@@H](NCc1nc2ccccc2[nH]1)C3CCCCC3 2230a_100025707633_100000737899 [0,1,0,0,0,1|2,0,0]=4 3127 B21R3.24408 C[C@@H](NCc1nc2ccccc2[nH]1)C3CCCCC3 270004a_100025707633_100000185668 [0,1,0,0,0,1|2,0,0]=4 3128 B21R3.24408 C[C@@H](NCc1nc2ccccc2o1)C3CCCCC3 2230a_100025707633_100000195508 [0,1,0,0,0,1|1,1,0]=4 3129 B21R3.24408 C[C@@H](NCc1nc2ccccc2o1)C3CCCCC3 34a_100025707633_200012361514 [0,1,0,0,0,1|1,1,0]=4 3130 B21R3.24408 C[C@@H](NCc1nc2ccccc2s1)C3CCCCC3 2230a_100025707633_100000766747 [0,1,0,0,0,1|1,0,0]=3 3131 B21R3.24408 C[C@@H](NCc1nc2ccccc2s1)C3CCCCC3 270004a_100025707633_100011204187 [0,1,0,0,0,1|1,0,0]=3 3132 B21R3.24408 C[C@@H](NCc1nc2ccccc2s1)C3CCCCC3 34a_100025707633_100011217541 [0,1,0,0,0,1|1,0,0]=3 3133 B21R3.24408 O=C(C=Cc1nc2ccccc2s1)C3CCCCC3 1458a_100000682698_100000210327 [0,1,0,0,0,1|2,0,0]=4 3134 B21R3.24408 O=C(CCc1nc2ccccc2s1)C3CCCCC3 1458a_100000182949_100000210327 [0,1,0,0,0,1|2,0,0]=4 3135 B21R3.24408 O=C(CSc1nc2ccccc2[nH]1)C3CCCCC3 1458a_100000179484_100000210327 [0,1,0,0,0,1|2,0,0]=4 3136 B21R3.24408 O=C(CSc1nc2ccccc2[nH]1)C3CCCCC3 62a_100000241979_100009814255 [0,1,0,0,0,1|2,0,0]=4 3137 B21R3.24408 O=C(CSc1nc2ccccc2o1)C3CCCCC3 1458a_200000179485_100000210327 [0,1,0,0,0,1|1,1,0]=4 3138 B21R3.24408 O=C(CSc1nc2ccccc2s1)C3CCCCC3 1458a_100000179486_100000210327 [0,1,0,0,0,1|1,0,0]=3 3139 B21R3.24408 O=C(CSc1nc2ccccc2s1)C3CCCCC3 62a_100000241979_100000751744 [0,1,0,0,0,1|1,0,0]=3 3140 B21R3.24408 O=C(CSc1nc2ccccc2s1)C3CCCOC3 1458a_100000179486_100000693364 [0,1,0,0,0,1|2,0,0]=4 3141 B21R3.24408 O=C(CSc1nc2ccccc2s1)C3CCOCC3 1458a_100000179486_100011324220 [0,1,0,0,0,1|2,0,0]=4 3142 B21R3.24408 O=C(CSc1nc2ccccc2s1)C3CCOCC3 62a_100000689883_100000751744 [0,1,0,0,0,1|2,0,0]=4 3143 B21R3.24408 O=C(CSc1nc2ccccc2s1)N3CCCCC3 62a_100000183409_100000751744 [0,1,0,0,0,1|2,0,0]=4 3144 B21R3.24408 O=C(CSc1nc2cccnc2s1)C3CCCCC3 62a_100000241979_100010188088 [0,1,0,0,0,1|2,0,0]=4 3145 B21R3.24408 O=C(CSc1nc2cccnc2s1)C3CCCCC3 62a_100010188088_100000241979 [0,1,0,0,0,1|2,0,0]=4 3146 B21R3.24408 O=C(NCc1cc2ccccc2s1)C3CCCCC3 1626a_100015187092_100000210647 [0,1,0,0,0,1|2,0,0]=4 3147 B21R3.24408 O=C(NCc1cc2ccccc2s1)C3CCCCC3 240690a_100015187092_100000210647 [0,1,0,0,0,1|2,0,0]=4 3148 B21R3.24408 O=C(NCc1cc2ccccc2s1)C3CCCCC3 527a_100015187092_100000210647 [0,1,0,0,0,1|2,0,0]=4 3149 B21R3.24408 O=C(NCc1nc2ccccc2[nH]1)C3CCCCC3 240690a_100000729406_100000210647 [0,1,0,0,0,1|2,0,0]=4 3150 B21R3.24408 O=C(NCc1nc2ccccc2[nH]1)C3CCCCC3 527a_100000729406_100000210647 [0,1,0,0,0,1|2,0,0]=4 3151 B21R3.24408 O=C(NCc1nc2ccccc2o1)C3CCCCC3 11a_100000733820_100000210647 [0,1,0,0,0,1|1,1,0]=4 3152 B21R3.24408 O=C(NCc1nc2ccccc2o1)C3CCCCC3 1626a_100000733820_100000210647 [0,1,0,0,0,1|1,1,0]=4 3153 B21R3.24408 O=C(NCc1nc2ccccc2o1)C3CCCCC3 240690a_100000733820_100000210647 [0,1,0,0,0,1|1,1,0]=4 3154 B21R3.24408 O=C(NCc1nc2ccccc2o1)C3CCCCC3 527a_100000733820_100000210647 [0,1,0,0,0,1|1,1,0]=4 3155 B21R3.24408 O=C(NCc1nc2ccccc2s1)C3CCCCC3 11a_100000174905_100000210647 [0,1,0,0,0,1|1,0,0]=3 3156 B21R3.24408 O=C(NCc1nc2ccccc2s1)C3CCCCC3 1626a_100000174905_100000210647 [0,1,0,0,0,1|1,0,0]=3 3157 B21R3.24408 O=C(NCc1nc2ccccc2s1)C3CCCCC3 240690a_100000174905_100000210647 [0,1,0,0,0,1|1,0,0]=3 3158 B21R3.24408 O=C(NCc1nc2ccccc2s1)C3CCCCC3 527a_100000174905_100000210647 [0,1,0,0,0,1|1,0,0]=3 3159 B21R3.24408 O=C(NCc1nc2ccccc2s1)C3CCCCO3 11a_100000174905_100000748299 [0,1,0,0,0,1|2,0,0]=4 3160 B21R3.24408 O=C(NCc1nc2ccccc2s1)C3CCCCO3 1626a_100000174905_100000748299 [0,1,0,0,0,1|2,0,0]=4 3161 B21R3.24408 O=C(NCc1nc2ccccc2s1)C3CCCCO3 240690a_100000174905_100000748299 [0,1,0,0,0,1|2,0,0]=4 3162 B21R3.24408 O=C(NCc1nc2ccccc2s1)C3CCCCO3 527a_100000174905_100000748299 [0,1,0,0,0,1|2,0,0]=4 3163 B21R3.24408 O=C(NCc1nc2ccccc2s1)C3CCCOC3 11a_100000174905_100000741522 [0,1,0,0,0,1|2,0,0]=4 3164 B21R3.24408 O=C(NCc1nc2ccccc2s1)C3CCCOC3 1626a_100000174905_100000741522 [0,1,0,0,0,1|2,0,0]=4 3165 B21R3.24408 O=C(NCc1nc2ccccc2s1)C3CCCOC3 240690a_100000174905_100000741522 [0,1,0,0,0,1|2,0,0]=4 3166 B21R3.24408 O=C(NCc1nc2ccccc2s1)C3CCCOC3 527a_100000174905_100000741522 [0,1,0,0,0,1|2,0,0]=4 3167 B21R3.24408 O=C(NCc1nc2ccccc2s1)C3CCOCC3 11a_100000174905_100000195482 [0,1,0,0,0,1|2,0,0]=4 3168 B21R3.24408 O=C(NCc1nc2ccccc2s1)C3CCOCC3 1626a_100000174905_100000195482 [0,1,0,0,0,1|2,0,0]=4 3169 B21R3.24408 O=C(NCc1nc2ccccc2s1)C3CCOCC3 240690a_100000174905_100000195482 [0,1,0,0,0,1|2,0,0]=4 3170 B21R3.24408 O=C(NCc1nc2ccccc2s1)C3CCOCC3 527a_100000174905_100000195482 [0,1,0,0,0,1|2,0,0]=4 3171 B21R3.24408 O=C(NCc1nc2ccccc2s1)C3CCSCC3 11a_100000174905_100000755232 [0,1,0,0,0,1|2,0,0]=4 3172 B21R3.24408 O=C(NCc1nc2ccccc2s1)C3CCSCC3 1626a_100000174905_100000755232 [0,1,0,0,0,1|2,0,0]=4 3173 B21R3.24408 O=C(NCc1nc2ccccc2s1)C3CCSCC3 240690a_100000174905_100000755232 [0,1,0,0,0,1|2,0,0]=4 3174 B21R3.24408 O=C(NCc1nc2ccccc2s1)C3CCSCC3 527a_100000174905_100000755232 [0,1,0,0,0,1|2,0,0]=4 3175 B21R3.24408 O=C(NNc1nc2ccccc2[nH]1)C3CCCCC3 22a_100000188875_100000210647 [0,1,0,0,0,1|2,0,0]=4 3176 B21R3.24408 O=C(NNc1nc2ccccc2o1)C3CCCCC3 22a_100000182307_100000210647 [0,1,0,0,0,1|1,1,0]=4 3177 B21R3.24408 O=C(NNc1nc2ccccc2s1)C3CCCCC3 22a_100000181811_100000210647 [0,1,0,0,0,1|1,0,0]=3 3178 B21R3.24408 O=C(NNc1nc2ccccc2s1)C3CCCCO3 22a_100000181811_100000748299 [0,1,0,0,0,1|2,0,0]=4 3179 B21R3.24408 O=C(NNc1nc2ccccc2s1)C3CCCOC3 22a_100000181811_100000741522 [0,1,0,0,0,1|2,0,0]=4 3180 B21R3.24408 O=C(NNc1nc2ccccc2s1)C3CCOCC3 22a_100000181811_100000195482 [0,1,0,0,0,1|2,0,0]=4 3181 B21R3.24408 O=C(NNc1nc2ccccc2s1)C3CCSCC3 22a_100000181811_100000755232 [0,1,0,0,0,1|2,0,0]=4 3182 B21R3.151465 CC1CC(CCO1)NCCc2nc3ccccc3s2 270004a_200000203819_100000755752 [0,1,0,0,0,1|2,0,0]=4 3183 B21R3.151465 CC1CCCC(C1)NCCc2nc3ccccc3[nH]2 270004a_100015184290_100000183594 [0,1,0,0,0,1|2,0,0]=4 3184 B21R3.151465 CC1CCCC(C1)NCCc2nc3ccccc3s2 270004a_200000203819_100000183594 [0,1,0,0,0,1|1,0,0]=3 3185 B21R3.151465 CN1CCCC(C1)CSCc2nc3ccccc3s2 62a_100000752043_100000766747 [0,1,0,0,0,1|2,0,0]=4 3186 B21R3.151465 CN1CCCC(C1)CSCc2nc3ccccc3s2 62a_100011217541_100000752043 [0,1,0,0,0,1|2,0,0]=4 3187 B21R3.151465 CN1CCC[C@H](C1)CNCc2nc3ccccc3s2 270004a_100016993746_100011204187 [0,1,0,0,0,1|2,0,0]=4 3188 B21R3.151465 C[C@@H]1CC(CCN1)NCCc2nc3ccccc3s2 270004a_200000203819_100016994030 [0,1,0,0,0,1|2,0,0]=4 3189 B21R3.151465 OC1CCCC(C1)CNCc2cc3ccccc3s2 207a_100011254705_100000686906 [0,1,0,0,0,1|2,0,0]=4 3190 B21R3.151465 OC1CCCC(C1)CNCc2cc3ccccc3s2 270004a_100011254705_100000686906 [0,1,0,0,0,1|2,0,0]=4 3191 B21R3.151465 OC1CCCC(C1)CNCc2nc3ccccc3[nH]2 207a_100011254705_100000185668 [0,1,0,0,0,1|2,0,0]=4 3192 B21R3.151465 OC1CCCC(C1)CNCc2nc3ccccc3[nH]2 2230a_100011254705_100000737899 [0,1,0,0,0,1|2,0,0]=4 3193 B21R3.151465 OC1CCCC(C1)CNCc2nc3ccccc3[nH]2 270004a_100011254705_100000185668 [0,1,0,0,0,1|2,0,0]=4 3194 B21R3.151465 OC1CCCC(C1)CNCc2nc3ccccc3o2 2230a_100011254705_100000195508 [0,1,0,0,0,1|1,1,0]=4 3195 B21R3.151465 OC1CCCC(C1)CNCc2nc3ccccc3s2 2230a_100011254705_100000766747 [0,1,0,0,0,1|1,0,0]=3 3196 B21R3.151465 OC1CCCC(C1)CNCc2nc3ccccc3s2 270004a_100011254705_100011204187 [0,1,0,0,0,1|1,0,0]=3 3197 B21R3.151465 OC1CCCC(C1)NCCc2nc3ccccc3[nH]2 270004a_100015184290_100012613340 [0,1,0,0,0,1|2,0,0]=4 3198 B21R3.151465 OC1CCCC(C1)NCCc2nc3ccccc3s2 270004a_200000203819_100012613340 [0,1,0,0,0,1|1,0,0]=3 3199 B21R3.154845 Brc1ccc2[nH]c(nc2c1)CNCC3CCCCC3 2230a_100000210473_100000701424 [0,1,0,0,0,1|2,0,0]=4 3200 B21R3.154845 Brc1ccc2[nH]c(nc2c1)CNCC3CCCCC3 34a_100000210473_100000701424 [0,1,0,0,0,1|2,0,0]=4 3201 B21R3.154845 Brc1ccc2cc(sc2c1)C=NNC3CCCCC3 4a_100000709804_100009814784 [0,1,0,0,0,1|2,0,0]=4 3202 B21R3.154845 Brc1ccc2nc([nH]c2c1)C=NNC3CCCCC3 4a_100000709804_200011361486 [0,1,0,0,0,1|2,0,0]=4 3203 B21R3.154845 Brc1ccc2nc([nH]c2c1)CNCC3CCCCC3 207a_100000210473_200011361486 [0,1,0,0,0,1|2,0,0]=4 3204 B21R3.154845 Brc1ccc2nc([nH]c2c1)CNCC3CCCCC3 270004a_100000210473_200011361486 [0,1,0,0,0,1|2,0,0]=4 3205 B21R3.154845 Brc1ccc2nc(oc2c1)CNCC3CCCCC3 2230a_100000210473_100000729449 [0,1,0,0,0,1|1,1,0]=4 3206 B21R3.154845 Brc1ccc2nc(oc2c1)CNCC3CCCCC3 34a_100000210473_100000729449 [0,1,0,0,0,1|1,1,0]=4 3207 B21R3.154845 Brc1ccc2oc(nc2c1)CNCC3CCCCC3 2230a_100000210473_100000730559 [0,1,0,0,0,1|1,1,0]=4 3208 B21R3.154845 Brc1ccc2oc(nc2c1)CNCC3CCCCC3 34a_100000210473_100000730559 [0,1,0,0,0,1|1,1,0]=4 3209 B21R3.154845 Brc1ccc2sc(cc2c1)C=NNC3CCCCC3 4a_100000709804_100010238522 [0,1,0,0,0,1|2,0,0]=4 3210 B21R3.154845 Cc1ccc2nc([nH]c2c1)CNCC3CCCCC3 2230a_100000210473_100020603265 [0,1,0,0,0,1|2,0,0]=4 3211 B21R3.154845 Cc1ccc2nc([nH]c2c1)CNCC3CCCCC3 34a_100000210473_100020603265 [0,1,0,0,0,1|2,0,0]=4 3212 B21R3.154845 Cc1ccc2nc(oc2c1)CNCC3CCCCC3 2230a_100000210473_100011295139 [0,1,0,0,0,1|1,1,0]=4 3213 B21R3.154845 Cc1ccc2nc(oc2c1)CNCC3CCCCC3 34a_100000210473_100011295139 [0,1,0,0,0,1|1,1,0]=4 3214 B21R3.154845 Cc1ccc2nc(oc2c1)CSCC3CCCCC3 62a_100000211423_100011295139 [0,1,0,0,0,1|1,1,0]=4 3215 B21R3.154845 Cc1ccc2nc(sc2c1)NCCC3CCCCC3 27a_100000738074_100010186437 [0,1,0,0,0,1|2,0,0]=4 3216 B21R3.154845 Cc1ccc2nc(sc2c1)NN=CC3CCCCC3 4a_100000067901_100000211278 [0,1,0,0,0,1|1,0,1]=4 3217 B21R3.154845 Cc1ccc2nc(sc2c1)SCCC3CCOCC3 62a_100011934994_100010186437 [0,1,0,0,0,1|2,0,0]=4 3218 B21R3.154845 Cc1ccc2nc(sc2c1)SCCN3CCCCC3 62a_100000739454_100010186437 [0,1,0,0,0,1|2,0,0]=4 3219 B21R3.154845 Cc1ccc2oc(nc2c1)CNCC3CCCCC3 2230a_100000210473_100011374149 [0,1,0,0,0,1|1,1,0]=4 3220 B21R3.154845 Cc1ccc2oc(nc2c1)CNCC3CCCCC3 34a_100000210473_100011374149 [0,1,0,0,0,1|1,1,0]=4 3221 B21R3.154845 Cc1ccc2oc(nc2c1)CSCC3CCCCC3 62a_100000211423_100011374149 [0,1,0,0,0,1|1,1,0]=4 3222 B21R3.154845 Cc1ccc2sc(cc2c1)C=NNC3CCCCC3 4a_100000709804_100000050833 [0,1,0,0,0,1|2,0,0]=4 3223 B21R3.154845 Cc1ccc2sc(cc2c1)CNCC3CCCCC3 207a_100000210473_100000050833 [0,1,0,0,0,1|2,0,0]=4 3224 B21R3.154845 Cc1ccc2sc(cc2c1)CNCC3CCCCC3 270004a_100000210473_100000050833 [0,1,0,0,0,1|2,0,0]=4 3225 B21R3.154845 Clc1ccc2[nH]c(nc2c1)CCNC3CCCCC3 270004a_100015185014_100000210434 [0,1,0,0,0,1|2,0,0]=4 3226 B21R3.154845 Clc1ccc2[nH]c(nc2c1)CNCC3CCCCC3 2230a_100000210473_100000179801 [0,1,0,0,0,1|2,0,0]=4 3227 B21R3.154845 Clc1ccc2nc(sc2c1)NN=CC3CCCCC3 4a_100000043616_100000211278 [0,1,0,0,0,1|1,0,1]=4 3228 B21R3.154845 Clc1ccc2oc(nc2c1)CNCC3CCCCC3 2230a_100000210473_100011222916 [0,1,0,0,0,1|1,1,0]=4 3229 B21R3.154845 Clc1ccc2sc(cc2c1)C=NNC3CCCCC3 4a_100000709804_200000119088 [0,1,0,0,0,1|2,0,0]=4 3230 B21R3.154845 Clc1ccc2sc(nc2c1)NN=CC3CCCCC3 4a_100000026785_100000211278 [0,1,0,0,0,1|1,0,1]=4 3231 B21R3.154845 Fc1ccc2[nH]c(nc2c1)C=NNC3CCCCC3 4a_100000709804_200011915233 [0,1,0,0,0,1|2,0,0]=4 3232 B21R3.154845 Fc1ccc2[nH]c(nc2c1)CCNC3CCCCC3 270004a_100000765453_100000210434 [0,1,0,0,0,1|2,0,0]=4 3233 B21R3.154845 Fc1ccc2[nH]c(nc2c1)CNCC3CCCCC3 207a_100000210473_200011915233 [0,1,0,0,0,1|2,0,0]=4 3234 B21R3.154845 Fc1ccc2[nH]c(nc2c1)CNCC3CCCCC3 270004a_100000210473_200011915233 [0,1,0,0,0,1|2,0,0]=4 3235 B21R3.154845 Fc1ccc2nc([nH]c2c1)CNCC3CCCCC3 2230a_100000210473_200011347187 [0,1,0,0,0,1|2,0,0]=4 3236 B21R3.154845 Fc1ccc2nc(oc2c1)CNCC3CCCCC3 2230a_100000210473_100000687025 [0,1,0,0,0,1|1,1,0]=4 3237 B21R3.154845 Fc1ccc2nc(oc2c1)CNCC3CCCCC3 34a_100000210473_100000687025 [0,1,0,0,0,1|1,1,0]=4 3238 B21R3.154845 Fc1ccc2nc(oc2c1)CSCC3CCCCC3 62a_100000211423_100000687025 [0,1,0,0,0,1|1,1,0]=4 3239 B21R3.154845 Fc1ccc2nc(sc2c1)NCCC3CCCCC3 27a_100000738074_100000751617 [0,1,0,0,0,1|2,0,0]=4 3240 B21R3.154845 Fc1ccc2nc(sc2c1)NN=CC3CCCCC3 4a_100000081544_100000211278 [0,1,0,0,0,1|1,0,1]=4 3241 B21R3.154845 Fc1ccc2nc(sc2c1)SCCC3CCOCC3 62a_100000751617_100011934994 [0,1,0,0,0,1|2,0,0]=4 3242 B21R3.154845 Fc1ccc2nc(sc2c1)SCCC3CCOCC3 62a_100011934994_100000751617 [0,1,0,0,0,1|2,0,0]=4 3243 B21R3.154845 Fc1ccc2nc(sc2c1)SCCN3CCCCC3 62a_100000739454_100000751617 [0,1,0,0,0,1|2,0,0]=4 3244 B21R3.154845 Fc1ccc2nc(sc2c1)SCCN3CCCCC3 62a_100000751617_100000739454 [0,1,0,0,0,1|2,0,0]=4 3245 B21R3.154845 Fc1ccc2nc(sc2c1)SCOC3CCCCC3 62a_100000751617_100011935260 [0,1,0,0,0,1|1,0,0]=3 3246 B21R3.154845 Fc1ccc2nc(sc2c1)SCOC3CCCCC3 62a_100011935260_100000751617 [0,1,0,0,0,1|1,0,0]=3 3247 B21R3.154845 Fc1ccc2nc(sc2n1)SCCC3CCCCC3 62a_100012355289_200010738066 [0,1,0,0,0,1|2,0,0]=4 3248 B21R3.154845 Fc1ccc2nc(sc2n1)SCCC3CCCCC3 62a_200010738066_100012355289 [0,1,0,0,0,1|2,0,0]=4 3249 B21R3.154845 Fc1ccc2nc(sc2n1)SCOC3CCCCC3 62a_100011935260_200010738066 [0,1,0,0,0,1|2,0,0]=4 3250 B21R3.154845 Fc1ccc2nc(sc2n1)SCOC3CCCCC3 62a_200010738066_100011935260 [0,1,0,0,0,1|2,0,0]=4 3251 B21R3.154845 Fc1ccc2oc(nc2c1)CNCC3CCCCC3 2230a_100000210473_100000687093 [0,1,0,0,0,1|1,1,0]=4 3252 B21R3.154845 Fc1ccc2oc(nc2c1)CNCC3CCCCC3 34a_100000210473_100000687093 [0,1,0,0,0,1|1,1,0]=4 3253 B21R3.154845 Fc1ccc2oc(nc2c1)CSCC3CCCCC3 62a_100000211423_100000687093 [0,1,0,0,0,1|1,1,0]=4 3254 B21R3.154845 Fc1ccc2sc(nc2c1)NCCC3CCCCC3 27a_100000738074_200010206605 [0,1,0,0,0,1|2,0,0]=4 3255 B21R3.154845 Fc1ccc2sc(nc2c1)SCCC3CCOCC3 62a_100011934994_200010206605 [0,1,0,0,0,1|2,0,0]=4 3256 B21R3.154845 Fc1ccc2sc(nc2c1)SCCC3CCOCC3 62a_200010206605_100011934994 [0,1,0,0,0,1|2,0,0]=4 3257 B21R3.154845 Fc1ccc2sc(nc2c1)SCCN3CCCCC3 62a_100000739454_200010206605 [0,1,0,0,0,1|2,0,0]=4 3258 B21R3.154845 Fc1ccc2sc(nc2c1)SCCN3CCCCC3 62a_200010206605_100000739454 [0,1,0,0,0,1|2,0,0]=4 3259 B21R3.154845 Fc1ccc2sc(nc2c1)SCOC3CCCCC3 62a_100011935260_200010206605 [0,1,0,0,0,1|1,0,0]=3 3260 B21R3.154845 Fc1ccc2sc(nc2c1)SCOC3CCCCC3 62a_200010206605_100011935260 [0,1,0,0,0,1|1,0,0]=3 3261 B21R3.154845 Nc1ccc2nc(sc2c1)NCCC3CCCCC3 27a_100000738074_100010253933 [0,1,0,0,0,1|2,0,0]=4 3262 B21R3.154845 Nc1ccc2nc(sc2c1)SCCC3CCCCC3 62a_100010253933_100012355289 [0,1,0,0,0,1|1,0,0]=3 3263 B21R3.154845 Nc1ccc2nc(sc2c1)SCCC3CCCCC3 62a_100012355289_100010253933 [0,1,0,0,0,1|1,0,0]=3 3264 B21R3.154845 Nc1ccc2nc(sc2c1)SCCC3CCOCC3 62a_100010253933_100011934994 [0,1,0,0,0,1|2,0,0]=4 3265 B21R3.154845 Nc1ccc2nc(sc2c1)SCCC3CCOCC3 62a_100011934994_100010253933 [0,1,0,0,0,1|2,0,0]=4 3266 B21R3.154845 Nc1ccc2nc(sc2c1)SCCN3CCCCC3 62a_100000739454_100010253933 [0,1,0,0,0,1|2,0,0]=4 3267 B21R3.154845 Nc1ccc2nc(sc2c1)SCCN3CCCCC3 62a_100010253933_100000739454 [0,1,0,0,0,1|2,0,0]=4 3268 B21R3.154845 Nc1ccc2nc(sc2c1)SCOC3CCCCC3 62a_100010253933_100011935260 [0,1,0,0,0,1|1,0,0]=3 3269 B21R3.154845 Nc1ccc2nc(sc2c1)SCOC3CCCCC3 62a_100011935260_100010253933 [0,1,0,0,0,1|1,0,0]=3 3270 B21R3.154845 Nc1ccc2sc(nc2c1)NCCC3CCCCC3 27a_100000738074_100010329861 [0,1,0,0,0,1|2,0,0]=4 3271 B21R3.154845 Nc1ccc2sc(nc2c1)SCCC3CCCCC3 62a_100010329861_100012355289 [0,1,0,0,0,1|1,0,0]=3 3272 B21R3.154845 Nc1ccc2sc(nc2c1)SCCC3CCCCC3 62a_100012355289_100010329861 [0,1,0,0,0,1|1,0,0]=3 3273 B21R3.154845 Nc1ccc2sc(nc2c1)SCCC3CCOCC3 62a_100010329861_100011934994 [0,1,0,0,0,1|2,0,0]=4 3274 B21R3.154845 Nc1ccc2sc(nc2c1)SCCC3CCOCC3 62a_100011934994_100010329861 [0,1,0,0,0,1|2,0,0]=4 3275 B21R3.154845 Nc1ccc2sc(nc2c1)SCCN3CCCCC3 62a_100000739454_100010329861 [0,1,0,0,0,1|2,0,0]=4 3276 B21R3.154845 Nc1ccc2sc(nc2c1)SCCN3CCCCC3 62a_100010329861_100000739454 [0,1,0,0,0,1|2,0,0]=4 3277 B21R3.154845 Nc1ccc2sc(nc2c1)SCOC3CCCCC3 62a_100010329861_100011935260 [0,1,0,0,0,1|1,0,0]=3 3278 B21R3.154845 Nc1ccc2sc(nc2c1)SCOC3CCCCC3 62a_100011935260_100010329861 [0,1,0,0,0,1|1,0,0]=3 3279 B21R3.154845 Oc1ccc2nc(sc2c1)NCCC3CCCCC3 27a_100000738074_100010063415 [0,1,0,0,0,1|2,0,0]=4 3280 B21R3.154845 Oc1ccc2nc(sc2c1)SCCC3CCOCC3 62a_100011934994_100010063415 [0,1,0,0,0,1|2,0,0]=4 3281 B21R3.154845 Oc1ccc2nc(sc2c1)SCCN3CCCCC3 62a_100000739454_100010063415 [0,1,0,0,0,1|2,0,0]=4 3282 B21R3.154845 Oc1ccc2nc(sc2c1)SCOC3CCCCC3 62a_100011935260_100010063415 [0,1,0,0,0,1|1,0,0]=3 3283 B21R3.217517 CC1CCCCC1NCCc2nc3ccccc3[nH]2 269862a_100015184290_100000210921 [0,1,0,0,0,1|2,0,0]=4 3284 B21R3.217517 CC1CCCCC1NCCc2nc3ccccc3[nH]2 270004a_100015184290_100000210921 [0,1,0,0,0,1|2,0,0]=4 3285 B21R3.217517 CC1CCCCC1NCCc2nc3ccccc3s2 269862a_200000203819_100000210921 [0,1,0,0,0,1|1,0,0]=3 3286 B21R3.217517 CC1CCCCC1NCCc2nc3ccccc3s2 270004a_200000203819_100000210921 [0,1,0,0,0,1|1,0,0]=3 3287 B21R3.217517 CC1CNCCC1NCCc2nc3ccccc3s2 270004a_200000203819_100000703950 [0,1,0,0,0,1|2,0,0]=4 3288 B21R3.217517 CC1COCCC1NCCc2nc3ccccc3s2 270004a_200000203819_100000755695 [0,1,0,0,0,1|2,0,0]=4 3289 B21R3.217517 CN1CCCCC1CCSc2nc3ccccc3s2 62a_100000211948_100000751744 [0,1,0,0,0,1|2,0,0]=4 3290 B21R3.217517 CN1CCCCC1CNCc2nc3ccccc3s2 270004a_100011228421_100011204187 [0,1,0,0,0,1|2,0,0]=4 3291 B21R3.217517 CN1CCCCC1CNCc2nc3ccccc3s2 34a_100011228421_100011217541 [0,1,0,0,0,1|2,0,0]=4 3292 B21R3.217517 CN1CCCCC1CSCc2nc3ccccc3s2 62a_100011217541_100015185383 [0,1,0,0,0,1|2,0,0]=4 3293 B21R3.217517 CN1CCCCC1CSCc2nc3ccccc3s2 62a_100015185383_100000766747 [0,1,0,0,0,1|2,0,0]=4 3294 B21R3.217517 OC1CCCCC1CNCc2cc3ccccc3s2 207a_100011216029_100000686906 [0,1,0,0,0,1|2,0,0]=4 3295 B21R3.217517 OC1CCCCC1CNCc2cc3ccccc3s2 270004a_100011216029_100000686906 [0,1,0,0,0,1|2,0,0]=4 3296 B21R3.217517 OC1CCCCC1CNCc2nc3ccccc3[nH]2 207a_100011216029_100000185668 [0,1,0,0,0,1|2,0,0]=4 3297 B21R3.217517 OC1CCCCC1CNCc2nc3ccccc3[nH]2 270004a_100011216029_100000185668 [0,1,0,0,0,1|2,0,0]=4 3298 B21R3.217517 OC1CCCCC1CNCc2nc3ccccc3o2 34a_100011216029_200012361514 [0,1,0,0,0,1|1,1,0]=4 3299 B21R3.217517 OC1CCCCC1CNCc2nc3ccccc3s2 270004a_100011216029_100011204187 [0,1,0,0,0,1|1,0,0]=3 3300 B21R3.217517 OC1CCCCC1CNCc2nc3ccccc3s2 34a_100011216029_100011217541 [0,1,0,0,0,1|1,0,0]=3 3301 B21R3.393380 Brc1cccc2c1cc(s2)C=NNC3CCCCC3 4a_100000709804_100010109917 [0,1,0,0,0,1|2,0,0]=4 3302 B21R3.393380 Brc1cccc2c1sc(c2)C=NNC3CCCCC3 4a_100000709804_100010110135 [0,1,0,0,0,1|2,0,0]=4 3303 B21R3.393380 Cc1cccc2c1nc([nH]2)CCNC3CCCCC3 270004a_100011534422_100000210434 [0,1,0,0,0,1|2,0,0]=4 3304 B21R3.393380 Cc1cccc2c1nc(o2)CNCC3CCCCC3 2230a_100000210473_100011397728 [0,1,0,0,0,1|1,1,0]=4 3305 B21R3.393380 Cc1cccc2c1nc(o2)CNCC3CCCCC3 34a_100000210473_100011397728 [0,1,0,0,0,1|1,1,0]=4 3306 B21R3.393380 Cc1cccc2c1nc(o2)CSCC3CCCCC3 62a_100000211423_100011397728 [0,1,0,0,0,1|1,1,0]=4 3307 B21R3.393380 Cc1cccc2c1nc(s2)NCCC3CCCCC3 27a_100000738074_100010008827 [0,1,0,0,0,1|2,0,0]=4 3308 B21R3.393380 Cc1cccc2c1nc(s2)NN=CC3CCCCC3 4a_100000081539_100000211278 [0,1,0,0,0,1|1,0,1]=4 3309 B21R3.393380 Cc1cccc2c1nc(s2)SCCC3CCOCC3 62a_100011934994_100010008827 [0,1,0,0,0,1|2,0,0]=4 3310 B21R3.393380 Cc1cccc2c1nc(s2)SCCN3CCCCC3 62a_100000739454_100010008827 [0,1,0,0,0,1|2,0,0]=4 3311 B21R3.393380 Clc1cccc2c1cc(s2)C=NNC3CCCCC3 4a_100000709804_100000117544 [0,1,0,0,0,1|2,0,0]=4 3312 B21R3.393380 Fc1cccc2c1nc(s2)NCCC3CCCCC3 27a_100000738074_100010008856 [0,1,0,0,0,1|2,0,0]=4 3313 B21R3.393380 Fc1cccc2c1nc(s2)SCCC3CCOCC3 62a_100011934994_100010008856 [0,1,0,0,0,1|2,0,0]=4 3314 B21R3.393380 Fc1cccc2c1nc(s2)SCCN3CCCCC3 62a_100000739454_100010008856 [0,1,0,0,0,1|2,0,0]=4 3315 B21R3.393380 Fc1cccc2c1nc(s2)SCOC3CCCCC3 62a_100011935260_100010008856 [0,1,0,0,0,1|1,0,0]=3 3316 B21R3.393380 Oc1cccc2c1nc([nH]2)CCNC3CCCCC3 270004a_200102561417_100000210434 [0,1,0,0,0,1|2,0,0]=4 3317 B21R3.520681 CC(CN1CCCCC1)Sc2nc3ccccc3s2 62a_100009831500_100000751744 [0,1,0,0,0,1|2,0,0]=4 3318 B21R3.520681 CN(Cc1cc2ccccc2s1)CC3CCCCC3 2230a_100015183267_100000211423 [0,1,0,0,0,1|2,0,0]=4 3319 B21R3.520681 CN(Cc1cc2ccccc2s1)CC3CCCCC3 269982a_100015183267_100000211423 [0,1,0,0,0,1|2,0,0]=4 3320 B21R3.520681 CN(Cc1cc2ccccc2s1)CC3CCCCC3 270004a_100000736448_100000686906 [0,1,0,0,0,1|2,0,0]=4 3321 B21R3.520681 CN(Cc1nc2ccccc2[nH]1)CC3CCCCC3 2230a_100000736437_100000211423 [0,1,0,0,0,1|2,0,0]=4 3322 B21R3.520681 CN(Cc1nc2ccccc2[nH]1)CC3CCCCC3 2230a_100000736448_100000737899 [0,1,0,0,0,1|2,0,0]=4 3323 B21R3.520681 CN(Cc1nc2ccccc2[nH]1)CC3CCCCC3 269982a_100000736437_100000211423 [0,1,0,0,0,1|2,0,0]=4 3324 B21R3.520681 CN(Cc1nc2ccccc2[nH]1)CC3CCCCC3 269982a_100000736448_100000737899 [0,1,0,0,0,1|2,0,0]=4 3325 B21R3.520681 CN(Cc1nc2ccccc2[nH]1)CC3CCCCC3 270004a_100000736448_100000185668 [0,1,0,0,0,1|2,0,0]=4 3326 B21R3.520681 CN(Cc1nc2ccccc2o1)CC3CCCCC3 2230a_100000736448_100000195508 [0,1,0,0,0,1|1,1,0]=4 3327 B21R3.520681 CN(Cc1nc2ccccc2o1)CC3CCCCC3 34a_100000736448_200012361514 [0,1,0,0,0,1|1,1,0]=4 3328 B21R3.520681 CN(Cc1nc2ccccc2s1)CC3CCCCC3 2230a_100000204650_100000211423 [0,1,0,0,0,1|1,0,0]=3 3329 B21R3.520681 CN(Cc1nc2ccccc2s1)CC3CCCCC3 2230a_100000736448_100000766747 [0,1,0,0,0,1|1,0,0]=3 3330 B21R3.520681 CN(Cc1nc2ccccc2s1)CC3CCCCC3 269982a_100000204650_100000211423 [0,1,0,0,0,1|1,0,0]=3 3331 B21R3.520681 CN(Cc1nc2ccccc2s1)CC3CCCCC3 269982a_100000736448_100011217541 [0,1,0,0,0,1|1,0,0]=3 3332 B21R3.520681 CN(Cc1nc2ccccc2s1)CC3CCCCC3 270004a_100000736448_100011204187 [0,1,0,0,0,1|1,0,0]=3 3333 B21R3.520681 CN(Cc1nc2ccccc2s1)CC3CCCCC3 34a_100000736448_100011217541 [0,1,0,0,0,1|1,0,0]=3 3334 B21R3.520681 CN(Cc1nc2ccccc2s1)CC3CCCCO3 2230a_100000204650_100000211543 [0,1,0,0,0,1|2,0,0]=4 3335 B21R3.520681 CN(Cc1nc2ccccc2s1)CC3CCCCO3 2230a_100000225654_100000766747 [0,1,0,0,0,1|2,0,0]=4 3336 B21R3.520681 CN(Cc1nc2ccccc2s1)CC3CCCCO3 269982a_100000204650_100000211543 [0,1,0,0,0,1|2,0,0]=4 3337 B21R3.520681 CN(Cc1nc2ccccc2s1)CC3CCCCO3 269982a_100000225654_100011217541 [0,1,0,0,0,1|2,0,0]=4 3338 B21R3.520681 CN(Cc1nc2ccccc2s1)CC3CCCCO3 270004a_100000225654_100011204187 [0,1,0,0,0,1|2,0,0]=4 3339 B21R3.520681 CN(Cc1nc2ccccc2s1)CC3CCCCO3 34a_100000225654_100011217541 [0,1,0,0,0,1|2,0,0]=4 3340 B21R3.520681 CN(Cc1nc2ccccc2s1)CC3CCCOC3 2230a_100000204650_100000741521 [0,1,0,0,0,1|2,0,0]=4 3341 B21R3.520681 CN(Cc1nc2ccccc2s1)CC3CCCOC3 269982a_100000204650_100000741521 [0,1,0,0,0,1|2,0,0]=4 3342 B21R3.520681 CN(Cc1nc2ccccc2s1)CC3CCOCC3 2230a_100000204650_100000754603 [0,1,0,0,0,1|2,0,0]=4 3343 B21R3.520681 CN(Cc1nc2ccccc2s1)CC3CCOCC3 2230a_100025706683_100000766747 [0,1,0,0,0,1|2,0,0]=4 3344 B21R3.520681 CN(Cc1nc2ccccc2s1)CC3CCOCC3 269982a_100000204650_100000754603 [0,1,0,0,0,1|2,0,0]=4 3345 B21R3.520681 CN(Cc1nc2ccccc2s1)CC3CCOCC3 269982a_100025706683_100011217541 [0,1,0,0,0,1|2,0,0]=4 3346 B21R3.520681 CN(Cc1nc2ccccc2s1)CC3CCOCC3 270004a_100025706683_100011204187 [0,1,0,0,0,1|2,0,0]=4 3347 B21R3.520681 CN(Cc1nc2ccccc2s1)CC3CCOCC3 34a_100025706683_100011217541 [0,1,0,0,0,1|2,0,0]=4 3348 B21R3.520681 CN(Cc1nc2ccccc2s1)CC3CCSCC3 2230a_100011935259_100000766747 [0,1,0,0,0,1|2,0,0]=4 3349 B21R3.520681 CN(Cc1nc2ccccc2s1)CC3CCSCC3 269982a_100011935259_100011217541 [0,1,0,0,0,1|2,0,0]=4 3350 B21R3.520681 CN(Cc1nc2ccccc2s1)CC3CCSCC3 270004a_100000204650_100000067145 [0,1,0,0,0,1|2,0,0]=4 3351 B21R3.520681 CN(Cc1nc2ccccc2s1)CC3CCSCC3 270004a_100011935259_100011204187 [0,1,0,0,0,1|2,0,0]=4 3352 B21R3.520681 CN(Cc1nc2ccccc2s1)CC3CCSCC3 34a_100011935259_100011217541 [0,1,0,0,0,1|2,0,0]=4 3353 B21R3.520681 O=C(Cc1cc2ccccc2s1)NC3CCCCC3 11a_100000182618_100012001211 [0,1,0,0,0,1|2,0,0]=4 3354 B21R3.520681 O=C(Cc1cc2ccccc2s1)NC3CCCCC3 1626a_100000182618_100012001211 [0,1,0,0,0,1|2,0,0]=4 3355 B21R3.520681 O=C(Cc1cc2ccccc2s1)NC3CCCCC3 240690a_100000182618_100012001211 [0,1,0,0,0,1|2,0,0]=4 3356 B21R3.520681 O=C(Cc1nc2ccccc2[nH]1)NC3CCCCC3 240690a_100000182618_100000188031 [0,1,0,0,0,1|2,0,0]=4 3357 B21R3.520681 O=C(Cc1nc2ccccc2s1)CC3CCCCC3 1458a_100000211666_100011217541 [0,1,0,0,0,1|2,0,0]=4 3358 B21R3.520681 O=C(Cc1nc2ccccc2s1)NC3CCCCC3 240690a_100000182618_100000747980 [0,1,0,0,0,1|1,0,0]=3 3359 B21R3.520681 O=C(Cc1nc2ccccc2s1)NC3CCCOC3 240690a_100000719290_100000747980 [0,1,0,0,0,1|2,0,0]=4 3360 B21R3.520681 O=C(Cc1nc2ccccc2s1)NC3CCOCC3 240690a_100000741149_100000747980 [0,1,0,0,0,1|2,0,0]=4 3361 B21R3.520681 O=C(Cc1nc2ccccc2s1)NC3CCSCC3 240690a_100000748639_100000747980 [0,1,0,0,0,1|2,0,0]=4 3362 B21R3.660661 C=C1CCC(CC1)NCCc2nc3ccccc3s2 270004a_200000203819_100010272673 [0,1,0,0,0,1|1,0,1]=4 3363 B21R3.660661 CC1CCC(CC1)CNCc2cc3ccccc3s2 207a_103436935547_100000686906 [0,1,0,0,0,1|2,0,0]=4 3364 B21R3.660661 CC1CCC(CC1)CNCc2cc3ccccc3s2 270004a_103436935547_100000686906 [0,1,0,0,0,1|2,0,0]=4 3365 B21R3.660661 CC1CCC(CC1)CNCc2nc3ccccc3[nH]2 207a_103436935547_100000185668 [0,1,0,0,0,1|2,0,0]=4 3366 B21R3.660661 CC1CCC(CC1)CNCc2nc3ccccc3[nH]2 2230a_103436935547_100000737899 [0,1,0,0,0,1|2,0,0]=4 3367 B21R3.660661 CC1CCC(CC1)CNCc2nc3ccccc3[nH]2 270004a_103436935547_100000185668 [0,1,0,0,0,1|2,0,0]=4 3368 B21R3.660661 CC1CCC(CC1)CNCc2nc3ccccc3o2 2230a_103436935547_100000195508 [0,1,0,0,0,1|1,1,0]=4 3369 B21R3.660661 CC1CCC(CC1)CNCc2nc3ccccc3o2 34a_103436935547_200012361514 [0,1,0,0,0,1|1,1,0]=4 3370 B21R3.660661 CC1CCC(CC1)CNCc2nc3ccccc3s2 2230a_103436935547_100000766747 [0,1,0,0,0,1|1,0,0]=3 3371 B21R3.660661 CC1CCC(CC1)CNCc2nc3ccccc3s2 270004a_103436935547_100011204187 [0,1,0,0,0,1|1,0,0]=3 3372 B21R3.660661 CC1CCC(CC1)CNCc2nc3ccccc3s2 34a_103436935547_100011217541 [0,1,0,0,0,1|1,0,0]=3 3373 B21R3.660661 CC1CCC(CC1)COCc2nc3ccccc3s2 34a_100000701341_100011217541 [0,1,0,0,0,1|1,1,0]=4 3374 B21R3.660661 CC1CCC(CC1)NCCc2nc3ccccc3[nH]2 270004a_100015184290_100000185489 [0,1,0,0,0,1|2,0,0]=4 3375 B21R3.660661 CC1CCC(CC1)NCCc2nc3ccccc3s2 270004a_200000203819_100000185489 [0,1,0,0,0,1|1,0,0]=3 3376 B21R3.660661 CN1CCC(CC1)CNCc2nc3ccccc3s2 270004a_100000746316_100011204187 [0,1,0,0,0,1|2,0,0]=4 3377 B21R3.660661 CN1CCC(CC1)CSCc2nc3ccccc3s2 62a_100011217541_100015183002 [0,1,0,0,0,1|2,0,0]=4 3378 B21R3.660661 CN1CCC(CC1)CSCc2nc3ccccc3s2 62a_100015183002_100000766747 [0,1,0,0,0,1|2,0,0]=4 3379 B21R3.660661 CN1CCC(CC1)NCCc2nc3ccccc3s2 270004a_200000203819_100000210137 [0,1,0,0,0,1|2,0,0]=4 3380 B21R3.660661 CN1CCC(CC1)NN=Cc2nc3ccccc3s2 4a_100015184029_100011204187 [0,1,0,0,0,1|2,0,0]=4 3381 B21R3.660661 N[C@H]1CC[C@@H](CC1)COCc2nc3ccccc3s2 34a_100009821084_100011217541 [0,1,0,0,0,1|1,1,0]=4 3382 B21R3.660661 OC1CCC(CC1)CCNc2nc3ccccc3s2 27a_200011935226_100000751744 [0,1,0,0,0,1|2,0,0]=4 3383 B21R3.660661 OC1CCC(CC1)NCCc2nc3ccccc3[nH]2 270004a_100015184290_100000764474 [0,1,0,0,0,1|2,0,0]=4 3384 B21R3.660661 OC1CCC(CC1)NCCc2nc3ccccc3s2 270004a_200000203819_100000764474 [0,1,0,0,0,1|1,0,0]=3 3385 B21R3.2280253 CC(=NNC1CCCCC1)c2cc3ccccc3s2 4a_100000709804_100011216072 [0,1,0,0,0,1|2,0,0]=4 3386 B21R3.2280253 CC(=NNC1CCCCC1)c2nc3ccccc3[nH]2 4a_100000709804_100000199114 [0,1,0,0,0,1|2,0,0]=4 3387 B21R3.2280253 CC(=NNC1CCCCC1)c2nc3ccccc3o2 4a_100000709804_100000037696 [0,1,0,0,0,1|1,1,0]=4 3388 B21R3.2280253 CC(=NNC1CCCCC1)c2nc3ccccc3s2 4a_100000709804_100000186429 [0,1,0,0,0,1|1,0,0]=3 3389 B21R3.2280253 CC(=NNC1CCOCC1)c2nc3ccccc3s2 4a_100000687383_100000186429 [0,1,0,0,0,1|2,0,0]=4 3390 B21R3.2280253 CC(NCC1CCCCC1)c2nc3ccccc3[nH]2 270004a_100000210473_100000199114 [0,1,0,0,0,1|2,0,0]=4 3391 B21R3.2280253 CC(NCC1CCCCC1)c2nc3ccccc3s2 2230a_100000213967_100000211423 [0,1,0,0,0,1|1,0,0]=3 3392 B21R3.2280253 CC(NCC1CCCCO1)c2nc3ccccc3s2 2230a_100000213967_100000211543 [0,1,0,0,0,1|2,0,0]=4 3393 B21R3.2280253 CC(NCC1CCCOC1)c2nc3ccccc3s2 2230a_100000213967_100000741521 [0,1,0,0,0,1|2,0,0]=4 3394 B21R3.2280253 CC(NCC1CCOCC1)c2nc3ccccc3s2 2230a_100000213967_100000754603 [0,1,0,0,0,1|2,0,0]=4 3395 B21R3.2280253 CC(NCC1CCSCC1)c2nc3ccccc3s2 270004a_100000213967_100000067145 [0,1,0,0,0,1|2,0,0]=4 3396 B21R3.2280253 C[C@H](NCC1CCCCC1)c2nc3ccccc3[nH]2 2230a_100015206438_100000211423 [0,1,0,0,0,1|2,0,0]=4 3397 B21R3.2280253 O=C(CNC1CCCCC1)c2cc3ccccc3s2 2230a_100000182618_100012351422 [0,1,0,0,0,1|2,0,0]=4 3398 B21R3.2280253 O=C(CNC1CCCCC1)c2nc3ccccc3s2 2230a_100000182618_100000198972 [0,1,0,0,0,1|1,0,0]=3 3399 B21R3.2280253 O=C(CNC1CCCOC1)c2nc3ccccc3s2 2230a_100000719290_100000198972 [0,1,0,0,0,1|2,0,0]=4 3400 B21R3.2280253 O=C(CNC1CCOCC1)c2nc3ccccc3s2 2230a_100000741149_100000198972 [0,1,0,0,0,1|2,0,0]=4 3401 B21R3.2280253 O=C(CNC1CCSCC1)c2nc3ccccc3s2 2230a_100000748639_100000198972 [0,1,0,0,0,1|2,0,0]=4 3402 B21R3.2280253 O=C(CSC1CCCCC1)c2nc3ccccc3s2 62a_100000198972_100000210327 [0,1,0,0,0,1|2,0,0]=4 3403 B21R3.2280253 O=C(NN=C1CCCCC1)c2nc3ccccc3s2 4a_100000009668_100000210434 [0,1,0,0,0,1|1,0,1]=4 3404 B21R3.27502517 CC1(CCCCC1)C=NNc2nc3ccccc3s2 4a_100000181811_100011935227 [0,1,0,0,0,1|1,0,1]=4 3405 B21R3.27502517 CC1(CCCCC1)CNCc2cc3ccccc3s2 207a_100000706052_100000686906 [0,1,0,0,0,1|2,0,0]=4 3406 B21R3.27502517 CC1(CCCCC1)CNCc2cc3ccccc3s2 269862a_100015187092_100011935227 [0,1,0,0,0,1|2,0,0]=4 3407 B21R3.27502517 CC1(CCCCC1)CNCc2cc3ccccc3s2 270004a_100000706052_100000686906 [0,1,0,0,0,1|2,0,0]=4 3408 B21R3.27502517 CC1(CCCCC1)CNCc2nc3ccccc3[nH]2 207a_100000706052_100000185668 [0,1,0,0,0,1|2,0,0]=4 3409 B21R3.27502517 CC1(CCCCC1)CNCc2nc3ccccc3[nH]2 2230a_100000706052_100000737899 [0,1,0,0,0,1|2,0,0]=4 3410 B21R3.27502517 CC1(CCCCC1)CNCc2nc3ccccc3[nH]2 270004a_100000706052_100000185668 [0,1,0,0,0,1|2,0,0]=4 3411 B21R3.27502517 CC1(CCCCC1)CNCc2nc3ccccc3o2 2230a_100000706052_100000195508 [0,1,0,0,0,1|1,1,0]=4 3412 B21R3.27502517 CC1(CCCCC1)CNCc2nc3ccccc3o2 34a_100000706052_200012361514 [0,1,0,0,0,1|1,1,0]=4 3413 B21R3.27502517 CC1(CCCCC1)CNCc2nc3ccccc3s2 2230a_100000706052_100000766747 [0,1,0,0,0,1|1,0,0]=3 3414 B21R3.27502517 CC1(CCCCC1)CNCc2nc3ccccc3s2 270004a_100000706052_100011204187 [0,1,0,0,0,1|1,0,0]=3 3415 B21R3.27502517 CC1(CCCCC1)CNCc2nc3ccccc3s2 34a_100000706052_100011217541 [0,1,0,0,0,1|1,0,0]=3 3416 B21R3.27502517 CC1(CCCCC1)COCc2nc3ccccc3s2 34a_100000688186_100011217541 [0,1,0,0,0,1|1,1,0]=4 3417 B21R3.27502517 CC1(CCCCC1)COCc2nc3ccccc3s2 7a_100000688186_100011217541 [0,1,0,0,0,1|1,1,0]=4 3418 B21R3.27502517 CC1(CCOCC1)CNCc2nc3ccccc3s2 2230a_100000695556_100000766747 [0,1,0,0,0,1|2,0,0]=4 3419 B21R3.27502517 CC1(CCOCC1)CNCc2nc3ccccc3s2 270004a_100000695556_100011204187 [0,1,0,0,0,1|2,0,0]=4 3420 B21R3.27502517 CC1(CCOCC1)CNCc2nc3ccccc3s2 34a_100000695556_100011217541 [0,1,0,0,0,1|2,0,0]=4 3421 B21R3.27502517 FC1(CCCCC1)COCc2nc3ccccc3s2 34a_100000090305_100011217541 [0,1,0,0,0,1|1,1,0]=4 3422 B21R3.27502517 FC1(CCCCC1)COCc2nc3ccccc3s2 7a_100000090305_100011217541 [0,1,0,0,0,1|1,1,0]=4 3423 B21R3.27502517 FC1(CCOCC1)CNCc2nc3ccccc3s2 2230a_100016991512_100000766747 [0,1,0,0,0,1|2,0,0]=4 3424 B21R3.27502517 FC1(CCOCC1)CNCc2nc3ccccc3s2 270004a_100016991512_100011204187 [0,1,0,0,0,1|2,0,0]=4 3425 B21R3.27502517 FC1(CCOCC1)CNCc2nc3ccccc3s2 34a_100016991512_100011217541 [0,1,0,0,0,1|2,0,0]=4 3426 B21R3.27502517 NC1(CCCCC1)COCc2nc3ccccc3s2 34a_100000740034_100011217541 [0,1,0,0,0,1|1,1,0]=4 3427 B21R3.27502517 OC1(CCCCC1)CCNc2nc3ccccc3s2 27a_100102740465_100000751744 [0,1,0,0,0,1|2,0,0]=4 3428 B21R3.27502517 OC1(CCCCC1)CNCc2cc3ccccc3s2 207a_100000748649_100000686906 [0,1,0,0,0,1|2,0,0]=4 3429 B21R3.27502517 OC1(CCCCC1)CNCc2cc3ccccc3s2 270004a_100000748649_100000686906 [0,1,0,0,0,1|2,0,0]=4 3430 B21R3.27502517 OC1(CCCCC1)CNCc2nc3ccccc3[nH]2 207a_100000748649_100000185668 [0,1,0,0,0,1|2,0,0]=4 3431 B21R3.27502517 OC1(CCCCC1)CNCc2nc3ccccc3[nH]2 2230a_100000748649_100000737899 [0,1,0,0,0,1|2,0,0]=4 3432 B21R3.27502517 OC1(CCCCC1)CNCc2nc3ccccc3[nH]2 270004a_100000748649_100000185668 [0,1,0,0,0,1|2,0,0]=4 3433 B21R3.27502517 OC1(CCCCC1)CNCc2nc3ccccc3o2 2230a_100000748649_100000195508 [0,1,0,0,0,1|1,1,0]=4 3434 B21R3.27502517 OC1(CCCCC1)CNCc2nc3ccccc3o2 34a_100000748649_200012361514 [0,1,0,0,0,1|1,1,0]=4 3435 B21R3.27502517 OC1(CCCCC1)CNCc2nc3ccccc3s2 2230a_100000748649_100000766747 [0,1,0,0,0,1|1,0,0]=3 3436 B21R3.27502517 OC1(CCCCC1)CNCc2nc3ccccc3s2 270004a_100000748649_100011204187 [0,1,0,0,0,1|1,0,0]=3 3437 B21R3.27502517 OC1(CCCCC1)CNCc2nc3ccccc3s2 34a_100000748649_100011217541 [0,1,0,0,0,1|1,0,0]=3 3438 B21R3.27502517 OC1(CCOCC1)CNCc2nc3ccccc3s2 2230a_100000704115_100000766747 [0,1,0,0,0,1|2,0,0]=4 3439 B21R3.27502517 OC1(CCOCC1)CNCc2nc3ccccc3s2 270004a_100000704115_100011204187 [0,1,0,0,0,1|2,0,0]=4 3440 B21R3.27502517 OC1(CCOCC1)CNCc2nc3ccccc3s2 34a_100000704115_100011217541 [0,1,0,0,0,1|2,0,0]=4 3441 B21R3.27502517 OC1(CCSCC1)CNCc2nc3ccccc3s2 2230a_100000758141_100000766747 [0,1,0,0,0,1|2,0,0]=4 3442 B21R3.27502517 OC1(CCSCC1)CNCc2nc3ccccc3s2 270004a_100000758141_100011204187 [0,1,0,0,0,1|2,0,0]=4 3443 B21R3.248685 Clc1c(sc2c1cccc2)CNC3CCCNCC3 270004a_200015185765_100015187895 [0,1,0,0,0,1|2,0,0]=4 3444 B21R3.248685 Cn1c(nc2c1cccc2)CNC3CCCCCC3 207a_100000210984_100000188960 [0,1,0,0,0,1|2,0,0]=4 3445 B21R3.248685 Cn1c(nc2c1cccc2)CNC3CCCCCC3 2230a_100000210984_100000748711 [0,1,0,0,0,1|2,0,0]=4 3446 B21R3.248685 Cn1c(nc2c1cccc2)CNC3CCCCCC3 270004a_100000210984_100000188960 [0,1,0,0,0,1|2,0,0]=4 3447 B21R3.248685 Cn1c(nc2c1cccc2)CNC3CCCCCC3 270004a_100000700934_100000210131 [0,1,0,0,0,1|2,0,0]=4 3448 B21R3.248685 Cn1c(nc2c1cccc2)CNC3CCCCCC3 34a_100000210984_100000748711 [0,1,0,0,0,1|2,0,0]=4 3449 B21R3.248685 Cn1c(nc2c1cccc2)CNC3CCCNCC3 270004a_100000700934_100015187895 [0,1,0,0,0,1|2,0,0]=4 3450 B21R3.248685 Cn1c(nc2c1cccc2)SCC3CCCCCC3 62a_200000239431_200000696569 [0,1,0,0,0,1|2,0,0]=4 3451 B21R3.248685 Cn1c(nc2c1cccc2)SCC3CCCCCC3 62a_200000696569_200000239431 [0,1,0,0,0,1|2,0,0]=4 3452 B21R3.410258 O=C1CCCCCC1SCc2nc3ccccc3s2 62a_100000243696_100000766747 [0,1,0,0,0,1|2,0,0]=4 3453 B21R3.410258 O=C1CCCCCC1SCc2nc3ccccc3s2 62a_100011217541_100000243696 [0,1,0,0,0,1|2,0,0]=4 3454 B21R3.410258 O=C1NCCCCC1NCc2nc3ccccc3s2 2230a_100000698827_100000766747 [0,1,0,0,0,1|1,0,1]=4 3455 B21R3.410258 O=C1NCCCCC1NCc2nc3ccccc3s2 270004a_100000698827_100011204187 [0,1,0,0,0,1|1,0,1]=4 3456 B21R3.410258 O=C1NCCCCC1NCc2nc3ccccc3s2 34a_100000698827_100011217541 [0,1,0,0,0,1|1,0,1]=4 3457 B21R3.6745369 Cc1cccc2c1nc([nH]2)CNC3CCCCCC3 270004a_100015183929_100000210131 [0,1,0,0,0,1|2,0,0]=4 3458 B21R3.6745369 Cc1cccc2c1nc([nH]2)CNC3CCCNCC3 270004a_100015183929_100015187895 [0,1,0,0,0,1|2,0,0]=4 3459 B21R3.6745369 Cc1cccc2c1nc(o2)CNC3CCCCCC3 2230a_100000210984_100011397728 [0,1,0,0,0,1|1,1,0]=4 3460 B21R3.6745369 Cc1cccc2c1nc(o2)CNC3CCCCCC3 34a_100000210984_100011397728 [0,1,0,0,0,1|1,1,0]=4 3461 B21R3.6745369 Cc1cccc2c1nc(s2)NCC3CCCCCC3 27a_100015204231_100010008827 [0,1,0,0,0,1|2,0,0]=4 3462 B21R3.6745369 Fc1cccc2c1nc([nH]2)CNC3CCCCCC3 270004a_100011347252_100000210131 [0,1,0,0,0,1|2,0,0]=4 3463 B21R3.6745369 Fc1cccc2c1nc([nH]2)CNC3CCCNCC3 270004a_100011347252_100015187895 [0,1,0,0,0,1|2,0,0]=4 3464 B21R3.6745369 Fc1cccc2c1nc(s2)NCC3CCCCCC3 27a_100015204231_100010008856 [0,1,0,0,0,1|2,0,0]=4 3465 B21R3.8008928 CN(Cc1cc2ccccc2s1)C3CCCNCC3 270004a_100015183267_100015187895 [0,1,0,0,0,1|2,0,0]=4 3466 B21R3.8008928 CN(Cc1nc2ccccc2[nH]1)C3CCCCCC3 2230a_100015185097_100000737899 [0,1,0,0,0,1|2,0,0]=4 3467 B21R3.8008928 CN(Cc1nc2ccccc2[nH]1)C3CCCCCC3 269982a_100000736437_100011217769 [0,1,0,0,0,1|2,0,0]=4 3468 B21R3.8008928 CN(Cc1nc2ccccc2[nH]1)C3CCCCCC3 269982a_100015185097_100000737899 [0,1,0,0,0,1|2,0,0]=4 3469 B21R3.8008928 CN(Cc1nc2ccccc2[nH]1)C3CCCCCC3 270004a_100000736437_100000210131 [0,1,0,0,0,1|2,0,0]=4 3470 B21R3.8008928 CN(Cc1nc2ccccc2[nH]1)C3CCCCCC3 270004a_100015185097_100000185668 [0,1,0,0,0,1|2,0,0]=4 3471 B21R3.8008928 CN(Cc1nc2ccccc2[nH]1)C3CCCNCC3 270004a_100000736437_100015187895 [0,1,0,0,0,1|2,0,0]=4 3472 B21R3.8008928 CN(Cc1nc2ccccc2o1)C3CCCCCC3 2230a_100015185097_100000195508 [0,1,0,0,0,1|1,1,0]=4 3473 B21R3.8008928 CN(Cc1nc2ccccc2o1)C3CCCCCC3 34a_100015185097_200012361514 [0,1,0,0,0,1|1,1,0]=4 3474 B21R3.8008928 CN(Cc1nc2ccccc2s1)C3CCCCCC3 2230a_100015185097_100000766747 [0,1,0,0,0,1|1,0,0]=3 3475 B21R3.8008928 CN(Cc1nc2ccccc2s1)C3CCCCCC3 269982a_100000204650_100011217769 [0,1,0,0,0,1|1,0,0]=3 3476 B21R3.8008928 CN(Cc1nc2ccccc2s1)C3CCCCCC3 269982a_100015185097_100011217541 [0,1,0,0,0,1|1,0,0]=3 3477 B21R3.8008928 CN(Cc1nc2ccccc2s1)C3CCCCCC3 270004a_100000204650_100000210131 [0,1,0,0,0,1|1,0,0]=3 3478 B21R3.8008928 CN(Cc1nc2ccccc2s1)C3CCCCCC3 270004a_100015185097_100011204187 [0,1,0,0,0,1|1,0,0]=3 3479 B21R3.8008928 CN(Cc1nc2ccccc2s1)C3CCCCCC3 34a_100015185097_100011217541 [0,1,0,0,0,1|1,0,0]=3 3480 B21R3.8008928 CN(Cc1nc2ccccc2s1)C3CCCNCC3 270004a_100000204650_100015187895 [0,1,0,0,0,1|1,0,0]=3 3481 B21R3.8008928 CN(Cc1nc2ccccc2s1)C3CSCCSC3 270004a_100000204650_100000068409 [0,1,0,0,0,1|2,0,0]=4 3482 B21R3.8008928 O=C(Cc1nc2ccccc2s1)C3CCCCCC3 1458a_100000749507_100011217541 [0,1,0,0,0,1|2,0,0]=4 3483 B21R3.25251354 CC1(CCCCCC1)NCc2nc3ccccc3[nH]2 207a_100000704638_100000185668 [0,1,0,0,0,1|2,0,0]=4 3484 B21R3.25251354 CC1(CCCCCC1)NCc2nc3ccccc3[nH]2 2230a_100000704638_100000737899 [0,1,0,0,0,1|2,0,0]=4 3485 B21R3.25251354 CC1(CCCCCC1)NCc2nc3ccccc3[nH]2 270004a_100000704638_100000185668 [0,1,0,0,0,1|2,0,0]=4 3486 B21R3.25251354 CC1(CCCCCC1)NCc2nc3ccccc3o2 2230a_100000704638_100000195508 [0,1,0,0,0,1|1,1,0]=4 3487 B21R3.25251354 CC1(CCCCCC1)NCc2nc3ccccc3o2 34a_100000704638_200012361514 [0,1,0,0,0,1|1,1,0]=4 3488 B21R3.25251354 CC1(CCCCCC1)NCc2nc3ccccc3s2 2230a_100000704638_100000766747 [0,1,0,0,0,1|1,0,0]=3 3489 B21R3.25251354 CC1(CCCCCC1)NCc2nc3ccccc3s2 270004a_100000704638_100011204187 [0,1,0,0,0,1|1,0,0]=3 3490 B21R3.25251354 CC1(CCCCCC1)NCc2nc3ccccc3s2 34a_100000704638_100011217541 [0,1,0,0,0,1|1,0,0]=3 3491 B21R3.25251354 CC1(CCCCCC1)OCc2nc3ccccc3s2 34a_100000708895_100011217541 [0,1,0,0,0,1|2,0,0]=4 3492 B21R3.25251354 CC1(CCCCCC1)OCc2nc3ccccc3s2 7a_100000708895_100011217541 [0,1,0,0,0,1|2,0,0]=4 3493 B21R3.25251354 CC1(CCCNCC1)OCc2nc3ccccc3s2 34a_100000723723_100011217541 [0,1,0,0,0,1|2,0,0]=4 3494 B21R3.28029735 Brc1ccc2[nH]c(nc2c1)CNC3CCCCCC3 2230a_100000210984_100000701424 [0,1,0,0,0,1|2,0,0]=4 3495 B21R3.28029735 Brc1ccc2[nH]c(nc2c1)CNC3CCCCCC3 34a_100000210984_100000701424 [0,1,0,0,0,1|2,0,0]=4 3496 B21R3.28029735 Brc1ccc2nc([nH]c2c1)CNC3CCCCCC3 207a_100000210984_200011361486 [0,1,0,0,0,1|2,0,0]=4 3497 B21R3.28029735 Brc1ccc2nc([nH]c2c1)CNC3CCCCCC3 270004a_100000210984_200011361486 [0,1,0,0,0,1|2,0,0]=4 3498 B21R3.28029735 Brc1ccc2nc(oc2c1)CNC3CCCCCC3 2230a_100000210984_100000729449 [0,1,0,0,0,1|1,1,0]=4 3499 B21R3.28029735 Brc1ccc2nc(oc2c1)CNC3CCCCCC3 34a_100000210984_100000729449 [0,1,0,0,0,1|1,1,0]=4 3500 B21R3.28029735 Brc1ccc2oc(nc2c1)CNC3CCCCCC3 2230a_100000210984_100000730559 [0,1,0,0,0,1|1,1,0]=4 3501 B21R3.28029735 Brc1ccc2oc(nc2c1)CNC3CCCCCC3 34a_100000210984_100000730559 [0,1,0,0,0,1|1,1,0]=4 3502 B21R3.28029735 Cc1ccc2[nH]c(nc2c1)CNC3CCCCCC3 270004a_100000754707_100000210131 [0,1,0,0,0,1|2,0,0]=4 3503 B21R3.28029735 Cc1ccc2[nH]c(nc2c1)CNC3CCCNCC3 270004a_100000754707_100015187895 [0,1,0,0,0,1|2,0,0]=4 3504 B21R3.28029735 Cc1ccc2nc([nH]c2c1)CNC3CCCCCC3 2230a_100000210984_100020603265 [0,1,0,0,0,1|2,0,0]=4 3505 B21R3.28029735 Cc1ccc2nc([nH]c2c1)CNC3CCCCCC3 34a_100000210984_100020603265 [0,1,0,0,0,1|2,0,0]=4 3506 B21R3.28029735 Cc1ccc2nc(oc2c1)CNC3CCCCCC3 2230a_100000210984_100011295139 [0,1,0,0,0,1|1,1,0]=4 3507 B21R3.28029735 Cc1ccc2nc(oc2c1)CNC3CCCCCC3 34a_100000210984_100011295139 [0,1,0,0,0,1|1,1,0]=4 3508 B21R3.28029735 Cc1ccc2nc(sc2c1)NCC3CCCCCC3 27a_100015204231_100010186437 [0,1,0,0,0,1|2,0,0]=4 3509 B21R3.28029735 Cc1ccc2oc(nc2c1)CNC3CCCCCC3 2230a_100000210984_100011374149 [0,1,0,0,0,1|1,1,0]=4 3510 B21R3.28029735 Cc1ccc2oc(nc2c1)CNC3CCCCCC3 34a_100000210984_100011374149 [0,1,0,0,0,1|1,1,0]=4 3511 B21R3.28029735 Clc1ccc2[nH]c(nc2c1)CNC3CCCCCC3 2230a_100000210984_100000179801 [0,1,0,0,0,1|2,0,0]=4 3512 B21R3.28029735 Clc1ccc2oc(nc2c1)CNC3CCCCCC3 2230a_100000210984_100011222916 [0,1,0,0,0,1|1,1,0]=4 3513 B21R3.28029735 Fc1ccc2[nH]c(nc2c1)CNC3CCCCCC3 207a_100000210984_200011915233 [0,1,0,0,0,1|2,0,0]=4 3514 B21R3.28029735 Fc1ccc2[nH]c(nc2c1)CNC3CCCCCC3 270004a_100000210984_200011915233 [0,1,0,0,0,1|2,0,0]=4 3515 B21R3.28029735 Fc1ccc2nc([nH]c2c1)CNC3CCCCCC3 2230a_100000210984_200011347187 [0,1,0,0,0,1|2,0,0]=4 3516 B21R3.28029735 Fc1ccc2nc(oc2c1)CNC3CCCCCC3 2230a_100000210984_100000687025 [0,1,0,0,0,1|1,1,0]=4 3517 B21R3.28029735 Fc1ccc2nc(oc2c1)CNC3CCCCCC3 34a_100000210984_100000687025 [0,1,0,0,0,1|1,1,0]=4 3518 B21R3.28029735 Fc1ccc2nc(sc2c1)NCC3CCCCCC3 27a_100015204231_100000751617 [0,1,0,0,0,1|2,0,0]=4 3519 B21R3.28029735 Fc1ccc2nc(sc2n1)SCC3CCCCCC3 62a_200000696569_200010738066 [0,1,0,0,0,1|2,0,0]=4 3520 B21R3.28029735 Fc1ccc2nc(sc2n1)SCC3CCCCCC3 62a_200010738066_200000696569 [0,1,0,0,0,1|2,0,0]=4 3521 B21R3.28029735 Fc1ccc2oc(nc2c1)CNC3CCCCCC3 2230a_100000210984_100000687093 [0,1,0,0,0,1|1,1,0]=4 3522 B21R3.28029735 Fc1ccc2oc(nc2c1)CNC3CCCCCC3 34a_100000210984_100000687093 [0,1,0,0,0,1|1,1,0]=4 3523 B21R3.28029735 Fc1ccc2sc(nc2c1)NCC3CCCCCC3 27a_100015204231_200010206605 [0,1,0,0,0,1|2,0,0]=4 3524 B21R3.28029735 Nc1ccc2nc(sc2c1)NCC3CCCCCC3 27a_100015204231_100010253933 [0,1,0,0,0,1|2,0,0]=4 3525 B21R3.28029735 Nc1ccc2nc(sc2c1)SCC3CCCCCC3 62a_100010253933_200000696569 [0,1,0,0,0,1|1,0,0]=3 3526 B21R3.28029735 Nc1ccc2nc(sc2c1)SCC3CCCCCC3 62a_200000696569_100010253933 [0,1,0,0,0,1|1,0,0]=3 3527 B21R3.28029735 Nc1ccc2sc(nc2c1)NCC3CCCCCC3 27a_100015204231_100010329861 [0,1,0,0,0,1|2,0,0]=4 3528 B21R3.28029735 Nc1ccc2sc(nc2c1)SCC3CCCCCC3 62a_100010329861_200000696569 [0,1,0,0,0,1|1,0,0]=3 3529 B21R3.28029735 Nc1ccc2sc(nc2c1)SCC3CCCCCC3 62a_200000696569_100010329861 [0,1,0,0,0,1|1,0,0]=3 3530 B21R3.28029735 Oc1ccc2nc(sc2c1)NCC3CCCCCC3 27a_100015204231_100010063415 [0,1,0,0,0,1|2,0,0]=4 3531 B21R3.43738356 CC(NC1CCCCCC1)c2nc3ccccc3[nH]2 270004a_100000210984_100000199114 [0,1,0,0,0,1|2,0,0]=4 3532 B21R3.43738356 CC(NC1CCCCCC1)c2nc3ccccc3s2 270004a_100000213967_100000210131 [0,1,0,0,0,1|1,0,0]=3 3533 B21R3.43738356 CC(NC1CCCNCC1)c2nc3ccccc3s2 270004a_100000213967_100015187895 [0,1,0,0,0,1|1,0,0]=3 3534 B21R3.43738356 CC(NC1CSCCSC1)c2nc3ccccc3s2 270004a_100000213967_100000068409 [0,1,0,0,0,1|2,0,0]=4 3535 B21R3.43738356 C[C@H](NC1CCCCCC1)c2nc3ccccc3[nH]2 270004a_100015206438_100000210131 [0,1,0,0,0,1|2,0,0]=4 3536 B21R3.43738356 C[C@H](NC1CCCNCC1)c2nc3ccccc3[nH]2 270004a_100015206438_100015187895 [0,1,0,0,0,1|2,0,0]=4 3537 B21R3.2935 CCn1c(nc2c1cccc2)CNC3CCCCC3 207a_100000182618_100000186150 [0,2,0,0,0,0|2,0,0]=4 3538 B21R3.2935 CCn1c(nc2c1cccc2)CNC3CCCCC3 270004a_100000182618_100000186150 [0,2,0,0,0,0|2,0,0]=4 3539 B21R3.7872 CC1CCCC(C1)NCc2nc3ccccc3n2C 207a_100011194320_100000188960 [0,2,0,0,0,0|2,0,0]=4 3540 B21R3.7872 CC1CCCC(C1)NCc2nc3ccccc3n2C 2230a_100011194320_100000748711 [0,2,0,0,0,0|2,0,0]=4 3541 B21R3.7872 CC1CCCC(C1)NCc2nc3ccccc3n2C 270004a_100000700934_100000183594 [0,2,0,0,0,0|2,0,0]=4 3542 B21R3.7872 CC1CCCC(C1)NCc2nc3ccccc3n2C 270004a_100011194320_100000188960 [0,2,0,0,0,0|2,0,0]=4 3543 B21R3.7872 CC1CCCC(C1)NCc2nc3ccccc3n2C 34a_100011194320_100000748711 [0,2,0,0,0,0|2,0,0]=4 3544 B21R3.7872 Cc1c(sc2c1cccc2)CNC3CCCC(C3)C 207a_100011194320_100000038699 [0,2,0,0,0,0|2,0,0]=4 3545 B21R3.7872 Cc1c(sc2c1cccc2)CNC3CCCC(C3)C 270004a_100011194320_100000038699 [0,2,0,0,0,0|2,0,0]=4 3546 B21R3.7872 Cc1c(sc2c1cccc2)CNC3CCCC(C3)O 207a_100015190357_100000038699 [0,2,0,0,0,0|2,0,0]=4 3547 B21R3.7872 Cc1c(sc2c1cccc2)CNC3CCCC(C3)O 270004a_100015190357_100000038699 [0,2,0,0,0,0|2,0,0]=4 3548 B21R3.7872 Cn1c(nc2c1cccc2)CNC3CCCC(C3)O 207a_100015190357_100000188960 [0,2,0,0,0,0|2,0,0]=4 3549 B21R3.7872 Cn1c(nc2c1cccc2)CNC3CCCC(C3)O 2230a_100015190357_100000748711 [0,2,0,0,0,0|2,0,0]=4 3550 B21R3.7872 Cn1c(nc2c1cccc2)CNC3CCCC(C3)O 270004a_100000700934_100012613340 [0,2,0,0,0,0|2,0,0]=4 3551 B21R3.7872 Cn1c(nc2c1cccc2)CNC3CCCC(C3)O 270004a_100015190357_100000188960 [0,2,0,0,0,0|2,0,0]=4 3552 B21R3.7872 OC1CCCC(C1)NCc2sc3ccccc3c2Br 207a_100015190357_100009816528 [0,2,0,0,0,0|2,0,0]=4 3553 B21R3.7872 OC1CCCC(C1)NCc2sc3ccccc3c2Cl 207a_100015190357_100000017830 [0,2,0,0,0,0|2,0,0]=4 3554 B21R3.7872 OC1CCCC(C1)NCc2sc3ccccc3c2Cl 2230a_100015190357_100000021718 [0,2,0,0,0,0|2,0,0]=4 3555 B21R3.7872 OC1CCCC(C1)NCc2sc3ccccc3c2Cl 270004a_100015190357_100000017830 [0,2,0,0,0,0|2,0,0]=4 3556 B21R3.7872 OC1CCCC(C1)NCc2sc3ccccc3c2Cl 270004a_200015185765_100012613340 [0,2,0,0,0,0|2,0,0]=4 3557 B21R3.8338 CC1CCCCC1NCc2nc3ccccc3n2C 207a_100000211402_100000188960 [0,2,0,0,0,0|2,0,0]=4 3558 B21R3.8338 CC1CCCCC1NCc2nc3ccccc3n2C 2230a_100000211402_100000748711 [0,2,0,0,0,0|2,0,0]=4 3559 B21R3.8338 CC1CCCCC1NCc2nc3ccccc3n2C 269862a_100000700934_100000210921 [0,2,0,0,0,0|2,0,0]=4 3560 B21R3.8338 CC1CCCCC1NCc2nc3ccccc3n2C 270004a_100000211402_100000188960 [0,2,0,0,0,0|2,0,0]=4 3561 B21R3.8338 CC1CCCCC1NCc2nc3ccccc3n2C 270004a_100000700934_100000210921 [0,2,0,0,0,0|2,0,0]=4 3562 B21R3.8338 CC1CCCCC1NCc2nc3ccccc3n2C 34a_100000211402_100000748711 [0,2,0,0,0,0|2,0,0]=4 3563 B21R3.8338 Cc1c(sc2c1cccc2)CNC3CCCCC3C 207a_100000211402_100000038699 [0,2,0,0,0,0|2,0,0]=4 3564 B21R3.8338 Cc1c(sc2c1cccc2)CNC3CCCCC3C 270004a_100000211402_100000038699 [0,2,0,0,0,0|2,0,0]=4 3565 B21R3.8338 Cc1c(sc2c1cccc2)CN[C@@H]3CCCC[C@@H]3O 207a_100015191688_100000038699 [0,2,0,0,0,0|2,0,0]=4 3566 B21R3.8338 Cc1c(sc2c1cccc2)CN[C@@H]3CCCC[C@@H]3O 270004a_100015191688_100000038699 [0,2,0,0,0,0|2,0,0]=4 3567 B21R3.8338 Cc1c(sc2c1cccc2)CN[C@@H]3CCCC[C@H]3F 207a_100015195156_100000038699 [0,2,0,0,0,0|2,0,0]=4 3568 B21R3.8338 Cc1c(sc2c1cccc2)CN[C@@H]3CCCC[C@H]3F 270004a_100015195156_100000038699 [0,2,0,0,0,0|2,0,0]=4 3569 B21R3.8338 Cn1c(nc2c1cccc2)CN[C@@H]3CCCC[C@@H]3O 207a_100015191688_100000188960 [0,2,0,0,0,0|2,0,0]=4 3570 B21R3.8338 Cn1c(nc2c1cccc2)CN[C@@H]3CCCC[C@@H]3O 270004a_100015191688_100000188960 [0,2,0,0,0,0|2,0,0]=4 3571 B21R3.8338 Cn1c(nc2c1cccc2)CN[C@@H]3CCCC[C@H]3F 207a_100015195156_100000188960 [0,2,0,0,0,0|2,0,0]=4 3572 B21R3.8338 Cn1c(nc2c1cccc2)CN[C@@H]3CCCC[C@H]3F 2230a_100015195156_100000748711 [0,2,0,0,0,0|2,0,0]=4 3573 B21R3.8338 Cn1c(nc2c1cccc2)CN[C@@H]3CCCC[C@H]3F 270004a_100015195156_100000188960 [0,2,0,0,0,0|2,0,0]=4 3574 B21R3.8338 Cn1c(nc2c1cccc2)CN[C@@H]3CCCC[C@H]3F 34a_100015195156_100000748711 [0,2,0,0,0,0|2,0,0]=4 3575 B21R3.8338 F[C@@H]1CCCC[C@H]1NCc2sc3ccccc3c2Cl 207a_100015195156_100000017830 [0,2,0,0,0,0|2,0,0]=4 3576 B21R3.8338 F[C@@H]1CCCC[C@H]1NCc2sc3ccccc3c2Cl 2230a_100015195156_100000021718 [0,2,0,0,0,0|2,0,0]=4 3577 B21R3.8338 F[C@@H]1CCCC[C@H]1NCc2sc3ccccc3c2Cl 270004a_100015195156_100000017830 [0,2,0,0,0,0|2,0,0]=4 3578 B21R3.8338 F[C@@H]1CCCC[C@H]1NCc2sc3ccccc3c2Cl 34a_100015195156_100000021718 [0,2,0,0,0,0|2,0,0]=4 3579 B21R3.8338 O[C@H]1CCCC[C@H]1NCc2sc3ccccc3c2Br 207a_100015191688_100009816528 [0,2,0,0,0,0|2,0,0]=4 3580 B21R3.8338 O[C@H]1CCCC[C@H]1NCc2sc3ccccc3c2Cl 207a_100015191688_100000017830 [0,2,0,0,0,0|2,0,0]=4 3581 B21R3.8338 O[C@H]1CCCC[C@H]1NCc2sc3ccccc3c2Cl 270004a_100015191688_100000017830 [0,2,0,0,0,0|2,0,0]=4 3582 B21R3.13081 CN(Cc1nc2ccccc2n1C)C3CCCCC3 2230a_100000207522_100000748711 [0,2,0,0,0,0|2,0,0]=4 3583 B21R3.13081 CN(Cc1nc2ccccc2n1C)C3CCCCC3 269982a_100000207522_100000748711 [0,2,0,0,0,0|2,0,0]=4 3584 B21R3.13081 CN(Cc1nc2ccccc2n1C)C3CCCCC3 269982a_100000754622_100000210327 [0,2,0,0,0,0|2,0,0]=4 3585 B21R3.13081 CN(Cc1nc2ccccc2n1C)C3CCCCC3 270004a_100000207522_100000188960 [0,2,0,0,0,0|2,0,0]=4 3586 B21R3.13081 CN(Cc1nc2ccccc2n1C)C3CCCCC3 270004a_100000754622_100000210434 [0,2,0,0,0,0|2,0,0]=4 3587 B21R3.13081 CN(Cc1nc2ccccc2n1C)C3CCCCC3 34a_100000207522_100000748711 [0,2,0,0,0,0|2,0,0]=4 3588 B21R3.13081 Cc1c(sc2c1cccc2)CN(C)C3CCCCC3 270004a_100000207522_100000038699 [0,2,0,0,0,0|2,0,0]=4 3589 B21R3.29713 CC1CCC(CC1)NCc2nc3ccccc3n2C 270004a_100000700934_100000185489 [0,2,0,0,0,0|2,0,0]=4 3590 B21R3.29713 Cc1c(sc2c1cccc2)CN[C@H]3CC[C@@H](CC3)C 207a_100020625639_100000038699 [0,2,0,0,0,0|2,0,0]=4 3591 B21R3.29713 Cc1c(sc2c1cccc2)CN[C@H]3CC[C@@H](CC3)C 270004a_100020625639_100000038699 [0,2,0,0,0,0|2,0,0]=4 3592 B21R3.29713 Cc1c(sc2c1cccc2)CN[C@H]3CC[C@H](CC3)O 207a_100020628982_100000038699 [0,2,0,0,0,0|2,0,0]=4 3593 B21R3.29713 Cc1c(sc2c1cccc2)CN[C@H]3CC[C@H](CC3)O 270004a_100020628982_100000038699 [0,2,0,0,0,0|2,0,0]=4 3594 B21R3.29713 Cn1c(nc2c1cccc2)CNC3CCC(CC3)O 270004a_100000700934_100000764474 [0,2,0,0,0,0|2,0,0]=4 3595 B21R3.29713 Cn1c(nc2c1cccc2)CN[C@H]3CC[C@@H](CC3)C 207a_100020625639_100000188960 [0,2,0,0,0,0|2,0,0]=4 3596 B21R3.29713 Cn1c(nc2c1cccc2)CN[C@H]3CC[C@@H](CC3)C 2230a_100020625639_100000748711 [0,2,0,0,0,0|2,0,0]=4 3597 B21R3.29713 Cn1c(nc2c1cccc2)CN[C@H]3CC[C@@H](CC3)C 270004a_100020625639_100000188960 [0,2,0,0,0,0|2,0,0]=4 3598 B21R3.29713 Cn1c(nc2c1cccc2)CN[C@H]3CC[C@@H](CC3)C 34a_100020625639_100000748711 [0,2,0,0,0,0|2,0,0]=4 3599 B21R3.29713 Cn1c(nc2c1cccc2)CN[C@H]3CC[C@H](CC3)O 207a_100020628982_100000188960 [0,2,0,0,0,0|2,0,0]=4 3600 B21R3.29713 Cn1c(nc2c1cccc2)CN[C@H]3CC[C@H](CC3)O 270004a_100020628982_100000188960 [0,2,0,0,0,0|2,0,0]=4 3601 B21R3.29713 OC1CCC(CC1)NCc2sc3ccccc3c2Cl 270004a_200015185765_100000764474 [0,2,0,0,0,0|2,0,0]=4 3602 B21R3.29713 O[C@H]1CC[C@H](CC1)NCc2sc3ccccc3c2Br 207a_100020628982_100009816528 [0,2,0,0,0,0|2,0,0]=4 3603 B21R3.29713 O[C@H]1CC[C@H](CC1)NCc2sc3ccccc3c2Cl 207a_100020628982_100000017830 [0,2,0,0,0,0|2,0,0]=4 3604 B21R3.29713 O[C@H]1CC[C@H](CC1)NCc2sc3ccccc3c2Cl 270004a_100020628982_100000017830 [0,2,0,0,0,0|2,0,0]=4 3605 B21R3.437727 Cn1c(nc2c1ccc(c2)Cl)CNC3CCCCC3 207a_100000182618_100000692104 [0,2,0,0,0,0|2,0,0]=4 3606 B21R3.437727 Cn1c(nc2c1ccc(c2)Cl)CNC3CCCCC3 2230a_100000182618_100000741338 [0,2,0,0,0,0|2,0,0]=4 3607 B21R3.437727 Cn1c(nc2c1ccc(c2)Cl)CNC3CCCCC3 270004a_100000182618_100000692104 [0,2,0,0,0,0|2,0,0]=4 3608 B21R3.437727 Cn1c(nc2c1ccc(c2)Cl)CNC3CCCCC3 270004a_100000708595_100000210434 [0,2,0,0,0,0|2,0,0]=4 3609 B21R3.437727 Cn1c(nc2c1ccc(c2)Cl)CNC3CCCCC3 34a_100000182618_100000741338 [0,2,0,0,0,0|2,0,0]=4 3610 B21R3.4973811 Cn1c(nc2c1cccc2)CNC3(CCCCC3)C 207a_100000741114_100000188960 [0,2,0,0,0,0|2,0,0]=4 3611 B21R3.4973811 Cn1c(nc2c1cccc2)CNC3(CCCCC3)C 2230a_100000741114_100000748711 [0,2,0,0,0,0|2,0,0]=4 3612 B21R3.4973811 Cn1c(nc2c1cccc2)CNC3(CCCCC3)C 270004a_100000741114_100000188960 [0,2,0,0,0,0|2,0,0]=4 3613 B21R3.4973811 Cn1c(nc2c1cccc2)CNC3(CCCCC3)C 34a_100000741114_100000748711 [0,2,0,0,0,0|2,0,0]=4 3614 B21R3.2502 CCN(Cc1nc2ccccc2[nH]1)C3CCCCC3 2230a_100000201195_100000737899 [0,2,0,0,0,0|2,0,0]=4 3615 B21R3.2502 CCN(Cc1nc2ccccc2[nH]1)C3CCCCC3 269982a_100000201195_100000737899 [0,2,0,0,0,0|2,0,0]=4 3616 B21R3.2502 CCN(Cc1nc2ccccc2[nH]1)C3CCCCC3 270004a_100000201195_100000185668 [0,2,0,0,0,0|2,0,0]=4 3617 B21R3.2502 CCN(Cc1nc2ccccc2o1)C3CCCCC3 2230a_100000201195_100000195508 [0,2,0,0,0,0|1,1,0]=4 3618 B21R3.2502 CCN(Cc1nc2ccccc2o1)C3CCCCC3 34a_100000201195_200012361514 [0,2,0,0,0,0|1,1,0]=4 3619 B21R3.2502 CCN(Cc1nc2ccccc2s1)C3CCCCC3 2230a_100000201195_100000766747 [0,2,0,0,0,0|1,0,0]=3 3620 B21R3.2502 CCN(Cc1nc2ccccc2s1)C3CCCCC3 269982a_100000201195_100011217541 [0,2,0,0,0,0|1,0,0]=3 3621 B21R3.2502 CCN(Cc1nc2ccccc2s1)C3CCCCC3 270004a_100000201195_100011204187 [0,2,0,0,0,0|1,0,0]=3 3622 B21R3.2502 CCN(Cc1nc2ccccc2s1)C3CCCCC3 34a_100000201195_100011217541 [0,2,0,0,0,0|1,0,0]=3 3623 B21R3.2502 CCN(Cc1nc2ccccc2s1)C3CCOCC3 2230a_100011324086_100000766747 [0,2,0,0,0,0|2,0,0]=4 3624 B21R3.2502 CCN(Cc1nc2ccccc2s1)C3CCOCC3 269982a_100011324086_100011217541 [0,2,0,0,0,0|2,0,0]=4 3625 B21R3.2502 CCN(Cc1nc2ccccc2s1)C3CCOCC3 270004a_100011324086_100011204187 [0,2,0,0,0,0|2,0,0]=4 3626 B21R3.2502 CCN(Cc1nc2ccccc2s1)C3CCOCC3 34a_100011324086_100011217541 [0,2,0,0,0,0|2,0,0]=4 3627 B21R3.2502 N#CC(=Cc1nc2ccccc2s1)C3CCCCC3 6a_100011204187_100000743093 [0,2,0,0,0,0|2,0,0]=4 3628 B21R3.2502 OC[C@H](Nc1nc2ccccc2s1)C3CCCCC3 27a_100009817630_100000751744 [0,2,0,0,0,0|2,0,0]=4 3629 B21R3.154841 CN(Cc1nc2cc(ccc2[nH]1)Br)C3CCCCC3 2230a_100000207522_100000701424 [0,2,0,0,0,0|2,0,0]=4 3630 B21R3.154841 CN(Cc1nc2cc(ccc2[nH]1)Br)C3CCCCC3 269982a_100000207522_100000701424 [0,2,0,0,0,0|2,0,0]=4 3631 B21R3.154841 CN(Cc1nc2cc(ccc2[nH]1)Br)C3CCCCC3 34a_100000207522_100000701424 [0,2,0,0,0,0|2,0,0]=4 3632 B21R3.154841 CN(Cc1nc2cc(ccc2[nH]1)Cl)C3CCCCC3 2230a_100000207522_100000179801 [0,2,0,0,0,0|2,0,0]=4 3633 B21R3.154841 CN(Cc1nc2cc(ccc2[nH]1)Cl)C3CCCCC3 269982a_100000207522_100000179801 [0,2,0,0,0,0|2,0,0]=4 3634 B21R3.154841 CN(Cc1nc2cc(ccc2[nH]1)Cl)C3CCCCC3 269982a_200015185327_100000210327 [0,2,0,0,0,0|2,0,0]=4 3635 B21R3.154841 CN(Cc1nc2cc(ccc2[nH]1)Cl)C3CCCCC3 270004a_200015185327_100000210434 [0,2,0,0,0,0|2,0,0]=4 3636 B21R3.154841 CN(Cc1nc2cc(ccc2[nH]1)F)C3CCCCC3 270004a_100000207522_200011915233 [0,2,0,0,0,0|2,0,0]=4 3637 B21R3.154841 CN(Cc1nc2cc(ccc2o1)Br)C3CCCCC3 2230a_100000207522_100000730559 [0,2,0,0,0,0|1,1,0]=4 3638 B21R3.154841 CN(Cc1nc2cc(ccc2o1)Br)C3CCCCC3 34a_100000207522_100000730559 [0,2,0,0,0,0|1,1,0]=4 3639 B21R3.154841 CN(Cc1nc2cc(ccc2o1)Cl)C3CCCCC3 2230a_100000207522_100011222916 [0,2,0,0,0,0|1,1,0]=4 3640 B21R3.154841 CN(Cc1nc2cc(ccc2o1)Cl)C3CCCCC3 269982a_100000207522_100011222916 [0,2,0,0,0,0|1,1,0]=4 3641 B21R3.154841 CN(Cc1nc2cc(ccc2o1)F)C3CCCCC3 2230a_100000207522_100000687093 [0,2,0,0,0,0|1,1,0]=4 3642 B21R3.154841 CN(Cc1nc2cc(ccc2o1)F)C3CCCCC3 269982a_100000207522_100000687093 [0,2,0,0,0,0|1,1,0]=4 3643 B21R3.154841 CN(Cc1nc2cc(ccc2o1)F)C3CCCCC3 34a_100000207522_100000687093 [0,2,0,0,0,0|1,1,0]=4 3644 B21R3.154841 CN(Cc1nc2ccc(cc2[nH]1)Br)C3CCCCC3 270004a_100000207522_200011361486 [0,2,0,0,0,0|2,0,0]=4 3645 B21R3.154841 CN(Cc1nc2ccc(cc2[nH]1)F)C3CCCCC3 2230a_100000207522_200011347187 [0,2,0,0,0,0|2,0,0]=4 3646 B21R3.154841 CN(Cc1nc2ccc(cc2[nH]1)F)C3CCCCC3 269982a_100000207522_200011347187 [0,2,0,0,0,0|2,0,0]=4 3647 B21R3.154841 CN(Cc1nc2ccc(cc2[nH]1)F)C3CCCCC3 269982a_100015183913_100000210327 [0,2,0,0,0,0|2,0,0]=4 3648 B21R3.154841 CN(Cc1nc2ccc(cc2[nH]1)F)C3CCCCC3 270004a_100015183913_100000210434 [0,2,0,0,0,0|2,0,0]=4 3649 B21R3.154841 CN(Cc1nc2ccc(cc2o1)Br)C3CCCCC3 2230a_100000207522_100000729449 [0,2,0,0,0,0|1,1,0]=4 3650 B21R3.154841 CN(Cc1nc2ccc(cc2o1)Br)C3CCCCC3 34a_100000207522_100000729449 [0,2,0,0,0,0|1,1,0]=4 3651 B21R3.154841 CN(Cc1nc2ccc(cc2o1)F)C3CCCCC3 2230a_100000207522_100000687025 [0,2,0,0,0,0|1,1,0]=4 3652 B21R3.154841 CN(Cc1nc2ccc(cc2o1)F)C3CCCCC3 269982a_100000207522_100000687025 [0,2,0,0,0,0|1,1,0]=4 3653 B21R3.154841 CN(Cc1nc2ccc(cc2o1)F)C3CCCCC3 34a_100000207522_100000687025 [0,2,0,0,0,0|1,1,0]=4 3654 B21R3.154841 C[C@@H](Nc1nc2cc(ccc2s1)F)C3CCCCC3 27a_100025707633_200010206605 [0,2,0,0,0,0|2,0,0]=4 3655 B21R3.154841 C[C@@H](Nc1nc2cc(ccc2s1)N)C3CCCCC3 27a_100025707633_100010329861 [0,2,0,0,0,0|2,0,0]=4 3656 B21R3.154841 C[C@@H](Nc1nc2ccc(cc2s1)F)C3CCCCC3 27a_100025707633_100000751617 [0,2,0,0,0,0|2,0,0]=4 3657 B21R3.154841 C[C@@H](Nc1nc2ccc(cc2s1)N)C3CCCCC3 27a_100025707633_100010253933 [0,2,0,0,0,0|2,0,0]=4 3658 B21R3.154841 C[C@@H](Nc1nc2ccc(cc2s1)O)C3CCCCC3 27a_100025707633_100010063415 [0,2,0,0,0,0|2,0,0]=4 3659 B21R3.154841 Cc1ccc2[nH]c(nc2c1)CN(C)C3CCCCC3 269982a_200015187218_100000210327 [0,2,0,0,0,0|2,0,0]=4 3660 B21R3.154841 Cc1ccc2[nH]c(nc2c1)CN(C)C3CCCCC3 270004a_200015187218_100000210434 [0,2,0,0,0,0|2,0,0]=4 3661 B21R3.154841 Cc1ccc2nc([nH]c2c1)CN(C)C3CCCCC3 2230a_100000207522_100020603265 [0,2,0,0,0,0|2,0,0]=4 3662 B21R3.154841 Cc1ccc2nc([nH]c2c1)CN(C)C3CCCCC3 269982a_100000207522_100020603265 [0,2,0,0,0,0|2,0,0]=4 3663 B21R3.154841 Cc1ccc2nc([nH]c2c1)CN(C)C3CCCCC3 34a_100000207522_100020603265 [0,2,0,0,0,0|2,0,0]=4 3664 B21R3.154841 Cc1ccc2nc(oc2c1)CN(C)C3CCCCC3 2230a_100000207522_100011295139 [0,2,0,0,0,0|1,1,0]=4 3665 B21R3.154841 Cc1ccc2nc(oc2c1)CN(C)C3CCCCC3 269982a_100000207522_100011295139 [0,2,0,0,0,0|1,1,0]=4 3666 B21R3.154841 Cc1ccc2nc(oc2c1)CN(C)C3CCCCC3 34a_100000207522_100011295139 [0,2,0,0,0,0|1,1,0]=4 3667 B21R3.154841 Cc1ccc2nc(sc2c1)N[C@H](C)C3CCCCC3 27a_100025707633_100010186437 [0,2,0,0,0,0|2,0,0]=4 3668 B21R3.154841 Cc1ccc2oc(nc2c1)CN(C)C3CCCCC3 2230a_100000207522_100011374149 [0,2,0,0,0,0|1,1,0]=4 3669 B21R3.154841 Cc1ccc2oc(nc2c1)CN(C)C3CCCCC3 269982a_100000207522_100011374149 [0,2,0,0,0,0|1,1,0]=4 3670 B21R3.154841 Cc1ccc2oc(nc2c1)CN(C)C3CCCCC3 34a_100000207522_100011374149 [0,2,0,0,0,0|1,1,0]=4 3671 B21R3.154841 Cc1ccc2sc(cc2c1)CN(C)C3CCCCC3 270004a_100000207522_100000050833 [0,2,0,0,0,0|2,0,0]=4 3672 B21R3.393376 C[C@@H](Nc1nc2c(cccc2s1)F)C3CCCCC3 27a_100025707633_100010008856 [0,2,0,0,0,0|2,0,0]=4 3673 B21R3.393376 Cc1cccc2c1[nH]c(n2)CN(C)C3CCCCC3 269982a_100015185812_100000210327 [0,2,0,0,0,0|2,0,0]=4 3674 B21R3.393376 Cc1cccc2c1[nH]c(n2)CN(C)C3CCCCC3 270004a_100015185812_100000210434 [0,2,0,0,0,0|2,0,0]=4 3675 B21R3.393376 Cc1cccc2c1nc(o2)CN(C)C3CCCCC3 2230a_100000207522_100011397728 [0,2,0,0,0,0|1,1,0]=4 3676 B21R3.393376 Cc1cccc2c1nc(o2)CN(C)C3CCCCC3 269982a_100000207522_100011397728 [0,2,0,0,0,0|1,1,0]=4 3677 B21R3.393376 Cc1cccc2c1nc(o2)CN(C)C3CCCCC3 34a_100000207522_100011397728 [0,2,0,0,0,0|1,1,0]=4 3678 B21R3.393376 Cc1cccc2c1nc(s2)N[C@H](C)C3CCCCC3 27a_100025707633_100010008827 [0,2,0,0,0,0|2,0,0]=4 3679 B21R3.654672 C=C1CCC(CC1)N(C)Cc2nc3ccccc3s2 270004a_100000204650_100010272673 [0,2,0,0,0,0|1,0,1]=4 3680 B21R3.654672 CC1CCC(CC1)N(C)Cc2cc3ccccc3s2 269982a_100015183267_200011216234 [0,2,0,0,0,0|2,0,0]=4 3681 B21R3.654672 CC1CCC(CC1)N(C)Cc2cc3ccccc3s2 270004a_100015183267_100000185489 [0,2,0,0,0,0|2,0,0]=4 3682 B21R3.654672 CC1CCC(CC1)N(C)Cc2nc3ccccc3[nH]2 269982a_100000736437_200011216234 [0,2,0,0,0,0|2,0,0]=4 3683 B21R3.654672 CC1CCC(CC1)N(C)Cc2nc3ccccc3[nH]2 270004a_100000736437_100000185489 [0,2,0,0,0,0|2,0,0]=4 3684 B21R3.654672 CC1CCC(CC1)N(C)Cc2nc3ccccc3s2 269982a_100000204650_200011216234 [0,2,0,0,0,0|1,0,0]=3 3685 B21R3.654672 CC1CCC(CC1)N(C)Cc2nc3ccccc3s2 270004a_100000204650_100000185489 [0,2,0,0,0,0|1,0,0]=3 3686 B21R3.654672 CN(Cc1cc2ccccc2s1)C3CCC(CC3)O 270004a_100015183267_100000764474 [0,2,0,0,0,0|2,0,0]=4 3687 B21R3.654672 CN(Cc1cc2ccccc2s1)[C@H]3CC[C@H](CC3)O 270004a_100020636401_100000686906 [0,2,0,0,0,0|2,0,0]=4 3688 B21R3.654672 CN(Cc1nc2ccccc2[nH]1)C3CCC(CC3)O 270004a_100000736437_100000764474 [0,2,0,0,0,0|2,0,0]=4 3689 B21R3.654672 CN(Cc1nc2ccccc2[nH]1)[C@H]3CC[C@H](CC3)O 2230a_100020636401_100000737899 [0,2,0,0,0,0|2,0,0]=4 3690 B21R3.654672 CN(Cc1nc2ccccc2[nH]1)[C@H]3CC[C@H](CC3)O 269982a_100020636401_100000737899 [0,2,0,0,0,0|2,0,0]=4 3691 B21R3.654672 CN(Cc1nc2ccccc2[nH]1)[C@H]3CC[C@H](CC3)O 270004a_100020636401_100000185668 [0,2,0,0,0,0|2,0,0]=4 3692 B21R3.654672 CN(Cc1nc2ccccc2o1)[C@H]3CC[C@H](CC3)O 2230a_100020636401_100000195508 [0,2,0,0,0,0|1,1,0]=4 3693 B21R3.654672 CN(Cc1nc2ccccc2s1)C3CCC(CC3)O 270004a_100000204650_100000764474 [0,2,0,0,0,0|1,0,0]=3 3694 B21R3.654672 CN(Cc1nc2ccccc2s1)[C@H]3CC[C@H](CC3)O 2230a_100020636401_100000766747 [0,2,0,0,0,0|1,0,0]=3 3695 B21R3.654672 CN(Cc1nc2ccccc2s1)[C@H]3CC[C@H](CC3)O 269982a_100020636401_100011217541 [0,2,0,0,0,0|1,0,0]=3 3696 B21R3.654672 CN(Cc1nc2ccccc2s1)[C@H]3CC[C@H](CC3)O 270004a_100020636401_100011204187 [0,2,0,0,0,0|1,0,0]=3 3697 B21R3.654672 CN1CCC(CC1)N(C)Cc2nc3ccccc3s2 2230a_100025768347_100000766747 [0,2,0,0,0,0|2,0,0]=4 3698 B21R3.654672 CN1CCC(CC1)N(C)Cc2nc3ccccc3s2 269982a_100000204650_100011215917 [0,2,0,0,0,0|2,0,0]=4 3699 B21R3.654672 CN1CCC(CC1)N(C)Cc2nc3ccccc3s2 269982a_100025768347_100011217541 [0,2,0,0,0,0|2,0,0]=4 3700 B21R3.654672 CN1CCC(CC1)N(C)Cc2nc3ccccc3s2 270004a_100000204650_100000210137 [0,2,0,0,0,0|2,0,0]=4 3701 B21R3.654672 CN1CCC(CC1)N(C)Cc2nc3ccccc3s2 270004a_100025768347_100011204187 [0,2,0,0,0,0|2,0,0]=4 3702 B21R3.654672 C[C@H]1CC[C@@H](CC1)C(=O)Cc2nc3ccccc3s2 1458a_100009815934_100011217541 [0,2,0,0,0,0|2,0,0]=4 3703 B21R3.654672 O=C(Cc1nc2ccccc2s1)C3CCC(CC3)O 1458a_100000743365_100011217541 [0,2,0,0,0,0|2,0,0]=4 3704 B21R3.3965166 CC1CCCCC1C(=O)Cc2nc3ccccc3s2 1458a_100011215568_100011217541 [0,2,0,0,0,0|2,0,0]=4 3705 B21R3.3965166 CC1CCCCC1N(C)Cc2cc3ccccc3s2 270004a_100015183267_100000210921 [0,2,0,0,0,0|2,0,0]=4 3706 B21R3.3965166 CC1CCCCC1N(C)Cc2nc3ccccc3[nH]2 270004a_100000736437_100000210921 [0,2,0,0,0,0|2,0,0]=4 3707 B21R3.3965166 CC1CCCCC1N(C)Cc2nc3ccccc3s2 270004a_100000204650_100000210921 [0,2,0,0,0,0|1,0,0]=3 3708 B21R3.3965166 CC1CNCCC1N(C)Cc2nc3ccccc3s2 270004a_100000204650_100000703950 [0,2,0,0,0,0|2,0,0]=4 3709 B21R3.3965166 CC1COCCC1N(C)Cc2nc3ccccc3s2 270004a_100000204650_100000755695 [0,2,0,0,0,0|2,0,0]=4 3710 B21R3.3965166 CN(Cc1cc2ccccc2s1)C3CCCCC3F 269982a_100015183267_100015423560 [0,2,0,0,0,0|2,0,0]=4 3711 B21R3.3965166 CN(Cc1cc2ccccc2s1)C3CCCCC3O 269982a_100015183267_100000038908 [0,2,0,0,0,0|2,0,0]=4 3712 B21R3.3965166 CN(Cc1cc2ccccc2s1)[C@@H]3CCCC[C@H]3O 270004a_100000708425_100000686906 [0,2,0,0,0,0|2,0,0]=4 3713 B21R3.3965166 CN(Cc1nc2ccccc2[nH]1)C3CCCCC3F 269982a_100000736437_100015423560 [0,2,0,0,0,0|2,0,0]=4 3714 B21R3.3965166 CN(Cc1nc2ccccc2[nH]1)C3CCCCC3O 269982a_100000736437_100000038908 [0,2,0,0,0,0|2,0,0]=4 3715 B21R3.3965166 CN(Cc1nc2ccccc2[nH]1)[C@@H]3CCCC[C@H]3O 269982a_100000708425_100000737899 [0,2,0,0,0,0|2,0,0]=4 3716 B21R3.3965166 CN(Cc1nc2ccccc2[nH]1)[C@@H]3CCCC[C@H]3O 270004a_100000708425_100000185668 [0,2,0,0,0,0|2,0,0]=4 3717 B21R3.3965166 CN(Cc1nc2ccccc2s1)C3CCCCC3=O 269982a_100000204650_100000204591 [0,2,0,0,0,0|1,0,1]=4 3718 B21R3.3965166 CN(Cc1nc2ccccc2s1)C3CCCCC3F 269982a_100000204650_100015423560 [0,2,0,0,0,0|1,0,0]=3 3719 B21R3.3965166 CN(Cc1nc2ccccc2s1)C3CCCCC3O 269982a_100000204650_100000038908 [0,2,0,0,0,0|1,0,0]=3 3720 B21R3.3965166 CN(Cc1nc2ccccc2s1)[C@@H]3CCCC[C@H]3O 269982a_100000708425_100011217541 [0,2,0,0,0,0|1,0,0]=3 3721 B21R3.3965166 CN(Cc1nc2ccccc2s1)[C@@H]3CCCC[C@H]3O 270004a_100000708425_100011204187 [0,2,0,0,0,0|1,0,0]=3 3722 B21R3.3965166 O=C(Cc1nc2ccccc2s1)C3CCCCC3O 1458a_100011803323_100011217541 [0,2,0,0,0,0|2,0,0]=4 3723 B21R3.7433480 CC1CC(CCO1)N(C)Cc2nc3ccccc3s2 270004a_100000204650_100000755752 [0,2,0,0,0,0|2,0,0]=4 3724 B21R3.7433480 CC1CCCC(C1)C(=O)Cc2nc3ccccc3s2 1458a_100011215569_100011217541 [0,2,0,0,0,0|2,0,0]=4 3725 B21R3.7433480 CC1CCCC(C1)N(C)Cc2cc3ccccc3s2 270004a_100015183267_100000183594 [0,2,0,0,0,0|2,0,0]=4 3726 B21R3.7433480 CC1CCCC(C1)N(C)Cc2nc3ccccc3[nH]2 270004a_100000736437_100000183594 [0,2,0,0,0,0|2,0,0]=4 3727 B21R3.7433480 CC1CCCC(C1)N(C)Cc2nc3ccccc3s2 270004a_100000204650_100000183594 [0,2,0,0,0,0|1,0,0]=3 3728 B21R3.7433480 CN(Cc1cc2ccccc2s1)C3CCCC(C3)O 270004a_100015183267_100012613340 [0,2,0,0,0,0|2,0,0]=4 3729 B21R3.7433480 CN(Cc1nc2ccccc2[nH]1)C3CCCC(C3)O 270004a_100000736437_100012613340 [0,2,0,0,0,0|2,0,0]=4 3730 B21R3.7433480 CN(Cc1nc2ccccc2s1)C3CCCC(C3)O 270004a_100000204650_100012613340 [0,2,0,0,0,0|1,0,0]=3 3731 B21R3.7433480 C[C@@H]1CC(CCN1)N(C)Cc2nc3ccccc3s2 270004a_100000204650_100016994030 [0,2,0,0,0,0|2,0,0]=4 3732 B21R3.7433480 O=C(Cc1nc2ccccc2s1)C3CCCC(C3)O 1458a_100000707227_100011217541 [0,2,0,0,0,0|2,0,0]=4 3733 B21R3.14886901 CC(c1nc2ccccc2[nH]1)N(C)C3CCCCC3 270004a_100000207522_100000199114 [0,2,0,0,0,0|2,0,0]=4 3734 B21R3.43796953 CC1(CCCCC1)C(=O)Cc2nc3ccccc3s2 1458a_100000762840_100011217541 [0,2,0,0,0,0|2,0,0]=4 3735 B21R3.43796953 O=C(Cc1nc2ccccc2s1)C3(CCCCC3)F 1458a_100000069003_100011217541 [0,2,0,0,0,0|2,0,0]=4 3736 B21R3.43796953 O=C(Cc1nc2ccccc2s1)C3(CCCCC3)O 1458a_100000242742_100011217541 [0,2,0,0,0,0|2,0,0]=4 3737 B21R3.7332 CC1CC(CC(C1)NCc2cc3ccccc3s2)C 270004a_100015187092_100000753413 [0,2,0,0,0,0|2,0,0]=4 3738 B21R3.7332 CC1CC(CC(C1)NCc2nc3ccccc3[nH]2)C 270004a_100000729406_100000753413 [0,2,0,0,0,0|2,0,0]=4 3739 B21R3.7332 CC1CC(CC(C1)NCc2nc3ccccc3o2)C 270004a_100000733820_100000753413 [0,2,0,0,0,0|1,1,0]=4 3740 B21R3.8712 CC1CCC(C(C1)NCc2cc3ccccc3s2)C 269862a_100015187092_100000034887 [0,2,0,0,0,0|2,0,0]=4 3741 B21R3.8712 CC1CCC(C(C1)NCc2cc3ccccc3s2)C 270004a_100015187092_100000034887 [0,2,0,0,0,0|2,0,0]=4 3742 B21R3.8712 CC1CCC(C(C1)NCc2nc3ccccc3[nH]2)C 270004a_100000729406_100000034887 [0,2,0,0,0,0|2,0,0]=4 3743 B21R3.8712 CC1CCC(C(C1)NCc2nc3ccccc3o2)C 270004a_100000733820_100000034887 [0,2,0,0,0,0|1,1,0]=4 3744 B21R3.8712 CC1CCC(C(C1)OCc2nc3ccccc3s2)C 34a_100011217446_100011217541 [0,2,0,0,0,0|2,0,0]=4 3745 B21R3.8712 CC1CCC(C(C1)OCc2nc3ccccc3s2)C 7a_100011217446_100011217541 [0,2,0,0,0,0|2,0,0]=4 3746 B21R3.67358 CCC1CCCC(C1)NCc2cc3ccccc3s2 270004a_100015187092_100000756783 [0,2,0,0,0,0|2,0,0]=4 3747 B21R3.67358 CCC1CCCC(C1)NCc2nc3ccccc3[nH]2 270004a_100000729406_100000756783 [0,2,0,0,0,0|2,0,0]=4 3748 B21R3.67358 CCC1CCCC(C1)NCc2nc3ccccc3o2 270004a_100000733820_100000756783 [0,2,0,0,0,0|1,1,0]=4 3749 B21R3.67358 CCC1CCCC(C1)OCc2nc3ccccc3s2 7a_100011985506_100011217541 [0,2,0,0,0,0|2,0,0]=4 3750 B21R3.67358 CCN1CCC[C@H](C1)NCc2nc3ccccc3s2 2230a_100025775482_100000766747 [0,2,0,0,0,0|2,0,0]=4 3751 B21R3.67358 CCN1CCC[C@H](C1)NCc2nc3ccccc3s2 270004a_100025775482_100011204187 [0,2,0,0,0,0|2,0,0]=4 3752 B21R3.67358 CSC1CCCC(C1)NCc2cc3ccccc3s2 270004a_100015187092_100012138059 [0,2,0,0,0,0|2,0,0]=4 3753 B21R3.67358 CSC1CCCC(C1)NCc2nc3ccccc3[nH]2 270004a_100000729406_100012138059 [0,2,0,0,0,0|2,0,0]=4 3754 B21R3.67358 CSC1CCCC(C1)NCc2nc3ccccc3o2 270004a_100000733820_100012138059 [0,2,0,0,0,0|1,1,0]=4 3755 B21R3.67358 N#CC1CCCC(C1)NCc2cc3ccccc3s2 270004a_100015187092_100000747296 [0,2,0,0,0,0|2,0,0]=4 3756 B21R3.67358 N#CC1CCCC(C1)NCc2nc3ccccc3[nH]2 270004a_100000729406_100000747296 [0,2,0,0,0,0|2,0,0]=4 3757 B21R3.67358 N#CC1CCCC(C1)NCc2nc3ccccc3o2 270004a_100000733820_100000747296 [0,2,0,0,0,0|1,1,0]=4 3758 B21R3.67358 NCC1CCCC(C1)OCc2nc3ccccc3s2 34a_100011254705_100011217541 [0,2,0,0,0,0|2,0,0]=4 3759 B21R3.152148 CC1CCCC(C1C)NCc2cc3ccccc3s2 207a_100000211273_100000686906 [0,2,0,0,0,0|2,0,0]=4 3760 B21R3.152148 CC1CCCC(C1C)NCc2cc3ccccc3s2 270004a_100000211273_100000686906 [0,2,0,0,0,0|2,0,0]=4 3761 B21R3.152148 CC1CCCC(C1C)NCc2nc3ccccc3[nH]2 207a_100000211273_100000185668 [0,2,0,0,0,0|2,0,0]=4 3762 B21R3.152148 CC1CCCC(C1C)NCc2nc3ccccc3[nH]2 2230a_100000211273_100000737899 [0,2,0,0,0,0|2,0,0]=4 3763 B21R3.152148 CC1CCCC(C1C)NCc2nc3ccccc3[nH]2 270004a_100000211273_100000185668 [0,2,0,0,0,0|2,0,0]=4 3764 B21R3.152148 CC1CCCC(C1C)NCc2nc3ccccc3o2 2230a_100000211273_100000195508 [0,2,0,0,0,0|1,1,0]=4 3765 B21R3.152148 CC1CCCC(C1C)NCc2nc3ccccc3o2 34a_100000211273_200012361514 [0,2,0,0,0,0|1,1,0]=4 3766 B21R3.152148 CC1CCCC(C1C)NCc2nc3ccccc3s2 2230a_100000211273_100000766747 [0,2,0,0,0,0|1,0,0]=3 3767 B21R3.152148 CC1CCCC(C1C)NCc2nc3ccccc3s2 270004a_100000211273_100011204187 [0,2,0,0,0,0|1,0,0]=3 3768 B21R3.152148 CC1CCCC(C1C)NCc2nc3ccccc3s2 34a_100000211273_100011217541 [0,2,0,0,0,0|1,0,0]=3 3769 B21R3.152148 CC1CCCC(C1C)OCc2nc3ccccc3s2 34a_100011217532_100011217541 [0,2,0,0,0,0|2,0,0]=4 3770 B21R3.152148 CC1CCCC(C1C)OCc2nc3ccccc3s2 7a_100011217532_100011217541 [0,2,0,0,0,0|2,0,0]=4 3771 B21R3.223553 CC1(CC(CCO1)NCc2nc3ccccc3s2)C 2230a_100000696200_100000766747 [0,2,0,0,0,0|2,0,0]=4 3772 B21R3.223553 CC1(CC(CCO1)NCc2nc3ccccc3s2)C 270004a_100000696200_100011204187 [0,2,0,0,0,0|2,0,0]=4 3773 B21R3.223553 CC1(CCCC(C1)NCc2cc3ccccc3s2)C 270004a_100015187092_100000031663 [0,2,0,0,0,0|2,0,0]=4 3774 B21R3.223553 CC1(CCCC(C1)NCc2nc3ccccc3[nH]2)C 270004a_100000729406_100000031663 [0,2,0,0,0,0|2,0,0]=4 3775 B21R3.223553 CC1(CCCC(C1)NCc2nc3ccccc3o2)C 270004a_100000733820_100000031663 [0,2,0,0,0,0|1,1,0]=4 3776 B21R3.223553 CC1(CCCC(C1)OCc2nc3ccccc3s2)C 7a_100011995757_100011217541 [0,2,0,0,0,0|2,0,0]=4 3777 B21R3.469754 CC1CCCC(C1)NCc2nc3cc(ccc3[nH]2)Br 2230a_100011194320_100000701424 [0,2,0,0,0,0|2,0,0]=4 3778 B21R3.469754 CC1CCCC(C1)NCc2nc3cc(ccc3[nH]2)Br 34a_100011194320_100000701424 [0,2,0,0,0,0|2,0,0]=4 3779 B21R3.469754 CC1CCCC(C1)NCc2nc3cc(ccc3[nH]2)Cl 2230a_100011194320_100000179801 [0,2,0,0,0,0|2,0,0]=4 3780 B21R3.469754 CC1CCCC(C1)NCc2nc3cc(ccc3[nH]2)F 207a_100011194320_200011915233 [0,2,0,0,0,0|2,0,0]=4 3781 B21R3.469754 CC1CCCC(C1)NCc2nc3cc(ccc3[nH]2)F 270004a_100011194320_200011915233 [0,2,0,0,0,0|2,0,0]=4 3782 B21R3.469754 CC1CCCC(C1)NCc2nc3cc(ccc3o2)Br 2230a_100011194320_100000730559 [0,2,0,0,0,0|1,1,0]=4 3783 B21R3.469754 CC1CCCC(C1)NCc2nc3cc(ccc3o2)Br 34a_100011194320_100000730559 [0,2,0,0,0,0|1,1,0]=4 3784 B21R3.469754 CC1CCCC(C1)NCc2nc3cc(ccc3o2)Cl 2230a_100011194320_100011222916 [0,2,0,0,0,0|1,1,0]=4 3785 B21R3.469754 CC1CCCC(C1)NCc2nc3cc(ccc3o2)F 2230a_100011194320_100000687093 [0,2,0,0,0,0|1,1,0]=4 3786 B21R3.469754 CC1CCCC(C1)NCc2nc3cc(ccc3o2)F 34a_100011194320_100000687093 [0,2,0,0,0,0|1,1,0]=4 3787 B21R3.469754 CC1CCCC(C1)NCc2nc3ccc(cc3[nH]2)Br 207a_100011194320_200011361486 [0,2,0,0,0,0|2,0,0]=4 3788 B21R3.469754 CC1CCCC(C1)NCc2nc3ccc(cc3[nH]2)Br 270004a_100011194320_200011361486 [0,2,0,0,0,0|2,0,0]=4 3789 B21R3.469754 CC1CCCC(C1)NCc2nc3ccc(cc3[nH]2)F 2230a_100011194320_200011347187 [0,2,0,0,0,0|2,0,0]=4 3790 B21R3.469754 CC1CCCC(C1)NCc2nc3ccc(cc3o2)Br 2230a_100011194320_100000729449 [0,2,0,0,0,0|1,1,0]=4 3791 B21R3.469754 CC1CCCC(C1)NCc2nc3ccc(cc3o2)Br 34a_100011194320_100000729449 [0,2,0,0,0,0|1,1,0]=4 3792 B21R3.469754 CC1CCCC(C1)NCc2nc3ccc(cc3o2)F 2230a_100011194320_100000687025 [0,2,0,0,0,0|1,1,0]=4 3793 B21R3.469754 CC1CCCC(C1)NCc2nc3ccc(cc3o2)F 34a_100011194320_100000687025 [0,2,0,0,0,0|1,1,0]=4 3794 B21R3.469754 CN1CCCC(C1)CSc2nc3cc(ccc3s2)F 62a_100000752043_200010206605 [0,2,0,0,0,0|2,0,0]=4 3795 B21R3.469754 CN1CCCC(C1)CSc2nc3cc(ccc3s2)F 62a_200010206605_100000752043 [0,2,0,0,0,0|2,0,0]=4 3796 B21R3.469754 CN1CCCC(C1)CSc2nc3cc(ccc3s2)N 62a_100000752043_100010329861 [0,2,0,0,0,0|2,0,0]=4 3797 B21R3.469754 CN1CCCC(C1)CSc2nc3cc(ccc3s2)N 62a_100010329861_100000752043 [0,2,0,0,0,0|2,0,0]=4 3798 B21R3.469754 CN1CCCC(C1)CSc2nc3ccc(cc3s2)F 62a_100000751617_100000752043 [0,2,0,0,0,0|2,0,0]=4 3799 B21R3.469754 CN1CCCC(C1)CSc2nc3ccc(cc3s2)F 62a_100000752043_100000751617 [0,2,0,0,0,0|2,0,0]=4 3800 B21R3.469754 CN1CCCC(C1)CSc2nc3ccc(cc3s2)N 62a_100000752043_100010253933 [0,2,0,0,0,0|2,0,0]=4 3801 B21R3.469754 CN1CCCC(C1)CSc2nc3ccc(cc3s2)N 62a_100010253933_100000752043 [0,2,0,0,0,0|2,0,0]=4 3802 B21R3.469754 CN1CCCC(C1)CSc2nc3ccc(cc3s2)O 62a_100000752043_100010063415 [0,2,0,0,0,0|2,0,0]=4 3803 B21R3.469754 Cc1ccc2[nH]c(nc2c1)CNC3CCCC(C3)C 270004a_100000754707_100000183594 [0,2,0,0,0,0|2,0,0]=4 3804 B21R3.469754 Cc1ccc2[nH]c(nc2c1)CNC3CCCC(C3)O 270004a_100000754707_100012613340 [0,2,0,0,0,0|2,0,0]=4 3805 B21R3.469754 Cc1ccc2nc([nH]c2c1)CNC3CCCC(C3)C 2230a_100011194320_100020603265 [0,2,0,0,0,0|2,0,0]=4 3806 B21R3.469754 Cc1ccc2nc([nH]c2c1)CNC3CCCC(C3)C 34a_100011194320_100020603265 [0,2,0,0,0,0|2,0,0]=4 3807 B21R3.469754 Cc1ccc2nc([nH]c2c1)CNC3CCCC(C3)O 2230a_100015190357_100020603265 [0,2,0,0,0,0|2,0,0]=4 3808 B21R3.469754 Cc1ccc2nc(oc2c1)CNC3CCCC(C3)C 2230a_100011194320_100011295139 [0,2,0,0,0,0|1,1,0]=4 3809 B21R3.469754 Cc1ccc2nc(oc2c1)CNC3CCCC(C3)C 34a_100011194320_100011295139 [0,2,0,0,0,0|1,1,0]=4 3810 B21R3.469754 Cc1ccc2nc(oc2c1)CNC3CCCC(C3)O 2230a_100015190357_100011295139 [0,2,0,0,0,0|1,1,0]=4 3811 B21R3.469754 Cc1ccc2nc(sc2c1)NCC3CCCC(C3)O 27a_100011254705_100010186437 [0,2,0,0,0,0|2,0,0]=4 3812 B21R3.469754 Cc1ccc2nc(sc2c1)SCC3CCCN(C3)C 62a_100000752043_100010186437 [0,2,0,0,0,0|2,0,0]=4 3813 B21R3.469754 Cc1ccc2oc(nc2c1)CNC3CCCC(C3)C 2230a_100011194320_100011374149 [0,2,0,0,0,0|1,1,0]=4 3814 B21R3.469754 Cc1ccc2oc(nc2c1)CNC3CCCC(C3)C 34a_100011194320_100011374149 [0,2,0,0,0,0|1,1,0]=4 3815 B21R3.469754 Cc1ccc2oc(nc2c1)CNC3CCCC(C3)O 2230a_100015190357_100011374149 [0,2,0,0,0,0|1,1,0]=4 3816 B21R3.469754 Cc1ccc2sc(cc2c1)CNC3CCCC(C3)C 207a_100011194320_100000050833 [0,2,0,0,0,0|2,0,0]=4 3817 B21R3.469754 Cc1ccc2sc(cc2c1)CNC3CCCC(C3)C 270004a_100011194320_100000050833 [0,2,0,0,0,0|2,0,0]=4 3818 B21R3.469754 Cc1ccc2sc(cc2c1)CNC3CCCC(C3)O 207a_100015190357_100000050833 [0,2,0,0,0,0|2,0,0]=4 3819 B21R3.469754 Cc1ccc2sc(cc2c1)CNC3CCCC(C3)O 270004a_100015190357_100000050833 [0,2,0,0,0,0|2,0,0]=4 3820 B21R3.469754 Nc1ccc2nc(sc2c1)NCC3CCCC(C3)O 27a_100011254705_100010253933 [0,2,0,0,0,0|2,0,0]=4 3821 B21R3.469754 Nc1ccc2sc(nc2c1)NCC3CCCC(C3)O 27a_100011254705_100010329861 [0,2,0,0,0,0|2,0,0]=4 3822 B21R3.469754 OC1CCCC(C1)CNc2nc3cc(ccc3s2)F 27a_100011254705_200010206605 [0,2,0,0,0,0|2,0,0]=4 3823 B21R3.469754 OC1CCCC(C1)CNc2nc3ccc(cc3s2)F 27a_100011254705_100000751617 [0,2,0,0,0,0|2,0,0]=4 3824 B21R3.469754 OC1CCCC(C1)NCc2cc3cc(ccc3s2)Br 207a_100015190357_100010238522 [0,2,0,0,0,0|2,0,0]=4 3825 B21R3.469754 OC1CCCC(C1)NCc2cc3cc(ccc3s2)Br 270004a_100015190357_100010238522 [0,2,0,0,0,0|2,0,0]=4 3826 B21R3.469754 OC1CCCC(C1)NCc2cc3cc(ccc3s2)Cl 207a_100015190357_200000119088 [0,2,0,0,0,0|2,0,0]=4 3827 B21R3.469754 OC1CCCC(C1)NCc2cc3cc(ccc3s2)Cl 270004a_100015190357_200000119088 [0,2,0,0,0,0|2,0,0]=4 3828 B21R3.469754 OC1CCCC(C1)NCc2cc3ccc(cc3s2)Br 207a_100015190357_100009814784 [0,2,0,0,0,0|2,0,0]=4 3829 B21R3.469754 OC1CCCC(C1)NCc2cc3ccc(cc3s2)Br 270004a_100015190357_100009814784 [0,2,0,0,0,0|2,0,0]=4 3830 B21R3.469754 OC1CCCC(C1)NCc2nc3cc(ccc3[nH]2)Br 2230a_100015190357_100000701424 [0,2,0,0,0,0|2,0,0]=4 3831 B21R3.469754 OC1CCCC(C1)NCc2nc3cc(ccc3[nH]2)Cl 2230a_100015190357_100000179801 [0,2,0,0,0,0|2,0,0]=4 3832 B21R3.469754 OC1CCCC(C1)NCc2nc3cc(ccc3[nH]2)F 207a_100015190357_200011915233 [0,2,0,0,0,0|2,0,0]=4 3833 B21R3.469754 OC1CCCC(C1)NCc2nc3cc(ccc3[nH]2)F 270004a_100015190357_200011915233 [0,2,0,0,0,0|2,0,0]=4 3834 B21R3.469754 OC1CCCC(C1)NCc2nc3cc(ccc3o2)Br 2230a_100015190357_100000730559 [0,2,0,0,0,0|1,1,0]=4 3835 B21R3.469754 OC1CCCC(C1)NCc2nc3cc(ccc3o2)Cl 2230a_100015190357_100011222916 [0,2,0,0,0,0|1,1,0]=4 3836 B21R3.469754 OC1CCCC(C1)NCc2nc3cc(ccc3o2)F 2230a_100015190357_100000687093 [0,2,0,0,0,0|1,1,0]=4 3837 B21R3.469754 OC1CCCC(C1)NCc2nc3ccc(cc3[nH]2)Br 207a_100015190357_200011361486 [0,2,0,0,0,0|2,0,0]=4 3838 B21R3.469754 OC1CCCC(C1)NCc2nc3ccc(cc3[nH]2)Br 270004a_100015190357_200011361486 [0,2,0,0,0,0|2,0,0]=4 3839 B21R3.469754 OC1CCCC(C1)NCc2nc3ccc(cc3[nH]2)F 2230a_100015190357_200011347187 [0,2,0,0,0,0|2,0,0]=4 3840 B21R3.469754 OC1CCCC(C1)NCc2nc3ccc(cc3o2)Br 2230a_100015190357_100000729449 [0,2,0,0,0,0|1,1,0]=4 3841 B21R3.469754 OC1CCCC(C1)NCc2nc3ccc(cc3o2)F 2230a_100015190357_100000687025 [0,2,0,0,0,0|1,1,0]=4 3842 B21R3.469754 Oc1ccc2nc(sc2c1)NCC3CCCC(C3)O 27a_100011254705_100010063415 [0,2,0,0,0,0|2,0,0]=4 3843 B21R3.469755 CC1CCCC(C1)NCc2nc3c(cccc3[nH]2)F 270004a_100011347252_100000183594 [0,2,0,0,0,0|2,0,0]=4 3844 B21R3.469755 CN1CCCC(C1)CSc2nc3c(cccc3s2)F 62a_100000752043_100010008856 [0,2,0,0,0,0|2,0,0]=4 3845 B21R3.469755 Cc1cccc2c1nc([nH]2)CNC3CCCC(C3)C 270004a_100015183929_100000183594 [0,2,0,0,0,0|2,0,0]=4 3846 B21R3.469755 Cc1cccc2c1nc([nH]2)CNC3CCCC(C3)O 270004a_100015183929_100012613340 [0,2,0,0,0,0|2,0,0]=4 3847 B21R3.469755 Cc1cccc2c1nc(o2)CNC3CCCC(C3)C 2230a_100011194320_100011397728 [0,2,0,0,0,0|1,1,0]=4 3848 B21R3.469755 Cc1cccc2c1nc(o2)CNC3CCCC(C3)C 34a_100011194320_100011397728 [0,2,0,0,0,0|1,1,0]=4 3849 B21R3.469755 Cc1cccc2c1nc(o2)CNC3CCCC(C3)O 2230a_100015190357_100011397728 [0,2,0,0,0,0|1,1,0]=4 3850 B21R3.469755 Cc1cccc2c1nc(s2)NCC3CCCC(C3)O 27a_100011254705_100010008827 [0,2,0,0,0,0|2,0,0]=4 3851 B21R3.469755 Cc1cccc2c1nc(s2)SCC3CCCN(C3)C 62a_100000752043_100010008827 [0,2,0,0,0,0|2,0,0]=4 3852 B21R3.469755 OC1CCCC(C1)CNc2nc3c(cccc3s2)F 27a_100011254705_100010008856 [0,2,0,0,0,0|2,0,0]=4 3853 B21R3.469755 OC1CCCC(C1)NCc2cc3c(cccc3s2)Br 207a_100015190357_100010109917 [0,2,0,0,0,0|2,0,0]=4 3854 B21R3.469755 OC1CCCC(C1)NCc2cc3c(cccc3s2)Br 270004a_100015190357_100010109917 [0,2,0,0,0,0|2,0,0]=4 3855 B21R3.469755 OC1CCCC(C1)NCc2cc3c(cccc3s2)Cl 207a_100015190357_100000117544 [0,2,0,0,0,0|2,0,0]=4 3856 B21R3.469755 OC1CCCC(C1)NCc2cc3c(cccc3s2)Cl 270004a_100015190357_100000117544 [0,2,0,0,0,0|2,0,0]=4 3857 B21R3.469755 OC1CCCC(C1)NCc2cc3cccc(c3s2)Br 207a_100015190357_100010110135 [0,2,0,0,0,0|2,0,0]=4 3858 B21R3.469755 OC1CCCC(C1)NCc2cc3cccc(c3s2)Br 270004a_100015190357_100010110135 [0,2,0,0,0,0|2,0,0]=4 3859 B21R3.469755 OC1CCCC(C1)NCc2nc3c(cccc3[nH]2)F 270004a_100011347252_100012613340 [0,2,0,0,0,0|2,0,0]=4 3860 B21R3.653951 CC1CC(CCN1C)NCc2nc3ccccc3s2 270004a_200000760522_100011204187 [0,2,0,0,0,0|2,0,0]=4 3861 B21R3.653951 CC1CCC(CC1C)NCc2cc3ccccc3s2 270004a_100015187092_100000759390 [0,2,0,0,0,0|2,0,0]=4 3862 B21R3.653951 CC1CCC(CC1C)NCc2nc3ccccc3[nH]2 270004a_100000729406_100000759390 [0,2,0,0,0,0|2,0,0]=4 3863 B21R3.653951 CC1CCC(CC1C)NCc2nc3ccccc3o2 270004a_100000733820_100000759390 [0,2,0,0,0,0|1,1,0]=4 3864 B21R3.653951 CC1CCC(CC1C)OCc2nc3ccccc3s2 34a_100011215933_100011217541 [0,2,0,0,0,0|2,0,0]=4 3865 B21R3.653951 CC1CCC(CC1C)OCc2nc3ccccc3s2 7a_100011215933_100011217541 [0,2,0,0,0,0|2,0,0]=4 3866 B21R3.7440939 CC(NC1CCCC(C1)O)c2cc3ccccc3s2 269862a_100015190357_100011216072 [0,2,0,0,0,0|2,0,0]=4 3867 B21R3.7440939 CC(NC1CCCC(C1)O)c2nc3ccccc3[nH]2 270004a_100015190357_100000199114 [0,2,0,0,0,0|2,0,0]=4 3868 B21R3.7440939 CC(NC1CCCC(C1)O)c2nc3ccccc3s2 270004a_100000213967_100012613340 [0,2,0,0,0,0|1,0,0]=3 3869 B21R3.7440939 CC(NC1CCN[C@@H](C1)C)c2nc3ccccc3s2 270004a_100000213967_100016994030 [0,2,0,0,0,0|2,0,0]=4 3870 B21R3.7440939 CC1CC(CCO1)NC(C)c2nc3ccccc3s2 270004a_100000213967_100000755752 [0,2,0,0,0,0|2,0,0]=4 3871 B21R3.7440939 CC1CCCC(C1)NC(C)c2nc3ccccc3[nH]2 270004a_100011194320_100000199114 [0,2,0,0,0,0|2,0,0]=4 3872 B21R3.7440939 CC1CCCC(C1)NC(C)c2nc3ccccc3s2 270004a_100000213967_100000183594 [0,2,0,0,0,0|1,0,0]=3 3873 B21R3.7440939 CC1CCCC(C1)N[C@@H](C)c2nc3ccccc3[nH]2 270004a_100015206438_100000183594 [0,2,0,0,0,0|2,0,0]=4 3874 B21R3.7440939 C[C@H](NC1CCCC(C1)O)c2nc3ccccc3[nH]2 270004a_100015206438_100012613340 [0,2,0,0,0,0|2,0,0]=4 3875 B21R3.21352 Cc1cc2nc([nH]c2cc1C)CNC3CCCCC3 270004a_200011649678_100000210434 [0,2,0,0,0,0|2,0,0]=4 3876 B21R3.21352 Clc1cc2nc([nH]c2cc1Cl)CNC3CCCCC3 2230a_100000182618_100012557037 [0,2,0,0,0,0|2,0,0]=4 3877 B21R3.21352 Fc1cc2nc([nH]c2cc1F)CNC3CCCCC3 2230a_100000182618_100000736236 [0,2,0,0,0,0|2,0,0]=4 3878 B21R3.21352 Fc1cc2nc([nH]c2cc1F)CNC3CCCCC3 34a_100000182618_100000736236 [0,2,0,0,0,0|2,0,0]=4 3879 B21R3.30898 CC1CCC(CC1)CNc2nc3cc(ccc3s2)F 27a_103436935547_200010206605 [0,2,0,0,0,0|2,0,0]=4 3880 B21R3.30898 CC1CCC(CC1)CNc2nc3cc(ccc3s2)N 27a_103436935547_100010329861 [0,2,0,0,0,0|2,0,0]=4 3881 B21R3.30898 CC1CCC(CC1)CNc2nc3ccc(cc3s2)F 27a_103436935547_100000751617 [0,2,0,0,0,0|2,0,0]=4 3882 B21R3.30898 CC1CCC(CC1)CNc2nc3ccc(cc3s2)N 27a_103436935547_100010253933 [0,2,0,0,0,0|2,0,0]=4 3883 B21R3.30898 CC1CCC(CC1)CNc2nc3ccc(cc3s2)O 27a_103436935547_100010063415 [0,2,0,0,0,0|2,0,0]=4 3884 B21R3.30898 CN1CCC(CC1)CSc2nc3cc(ccc3s2)F 62a_100015183002_200010206605 [0,2,0,0,0,0|2,0,0]=4 3885 B21R3.30898 CN1CCC(CC1)CSc2nc3cc(ccc3s2)F 62a_200010206605_100015183002 [0,2,0,0,0,0|2,0,0]=4 3886 B21R3.30898 CN1CCC(CC1)CSc2nc3cc(ccc3s2)N 62a_100010329861_100015183002 [0,2,0,0,0,0|2,0,0]=4 3887 B21R3.30898 CN1CCC(CC1)CSc2nc3cc(ccc3s2)N 62a_100015183002_100010329861 [0,2,0,0,0,0|2,0,0]=4 3888 B21R3.30898 CN1CCC(CC1)CSc2nc3ccc(cc3s2)F 62a_100000751617_100015183002 [0,2,0,0,0,0|2,0,0]=4 3889 B21R3.30898 CN1CCC(CC1)CSc2nc3ccc(cc3s2)F 62a_100015183002_100000751617 [0,2,0,0,0,0|2,0,0]=4 3890 B21R3.30898 CN1CCC(CC1)CSc2nc3ccc(cc3s2)N 62a_100010253933_100015183002 [0,2,0,0,0,0|2,0,0]=4 3891 B21R3.30898 CN1CCC(CC1)CSc2nc3ccc(cc3s2)N 62a_100015183002_100010253933 [0,2,0,0,0,0|2,0,0]=4 3892 B21R3.30898 CN1CCC(CC1)CSc2nc3ccc(cc3s2)O 62a_100015183002_100010063415 [0,2,0,0,0,0|2,0,0]=4 3893 B21R3.30898 C[C@H]1CC[C@@H](CC1)NCc2nc3cc(ccc3[nH]2)Br 2230a_100020625639_100000701424 [0,2,0,0,0,0|2,0,0]=4 3894 B21R3.30898 C[C@H]1CC[C@@H](CC1)NCc2nc3cc(ccc3[nH]2)Br 34a_100020625639_100000701424 [0,2,0,0,0,0|2,0,0]=4 3895 B21R3.30898 C[C@H]1CC[C@@H](CC1)NCc2nc3cc(ccc3[nH]2)Cl 2230a_100020625639_100000179801 [0,2,0,0,0,0|2,0,0]=4 3896 B21R3.30898 C[C@H]1CC[C@@H](CC1)NCc2nc3cc(ccc3[nH]2)F 207a_100020625639_200011915233 [0,2,0,0,0,0|2,0,0]=4 3897 B21R3.30898 C[C@H]1CC[C@@H](CC1)NCc2nc3cc(ccc3[nH]2)F 270004a_100020625639_200011915233 [0,2,0,0,0,0|2,0,0]=4 3898 B21R3.30898 C[C@H]1CC[C@@H](CC1)NCc2nc3cc(ccc3o2)Br 2230a_100020625639_100000730559 [0,2,0,0,0,0|1,1,0]=4 3899 B21R3.30898 C[C@H]1CC[C@@H](CC1)NCc2nc3cc(ccc3o2)Br 34a_100020625639_100000730559 [0,2,0,0,0,0|1,1,0]=4 3900 B21R3.30898 C[C@H]1CC[C@@H](CC1)NCc2nc3cc(ccc3o2)Cl 2230a_100020625639_100011222916 [0,2,0,0,0,0|1,1,0]=4 3901 B21R3.30898 C[C@H]1CC[C@@H](CC1)NCc2nc3cc(ccc3o2)F 2230a_100020625639_100000687093 [0,2,0,0,0,0|1,1,0]=4 3902 B21R3.30898 C[C@H]1CC[C@@H](CC1)NCc2nc3cc(ccc3o2)F 34a_100020625639_100000687093 [0,2,0,0,0,0|1,1,0]=4 3903 B21R3.30898 C[C@H]1CC[C@@H](CC1)NCc2nc3ccc(cc3[nH]2)Br 207a_100020625639_200011361486 [0,2,0,0,0,0|2,0,0]=4 3904 B21R3.30898 C[C@H]1CC[C@@H](CC1)NCc2nc3ccc(cc3[nH]2)Br 270004a_100020625639_200011361486 [0,2,0,0,0,0|2,0,0]=4 3905 B21R3.30898 C[C@H]1CC[C@@H](CC1)NCc2nc3ccc(cc3[nH]2)F 2230a_100020625639_200011347187 [0,2,0,0,0,0|2,0,0]=4 3906 B21R3.30898 C[C@H]1CC[C@@H](CC1)NCc2nc3ccc(cc3o2)Br 2230a_100020625639_100000729449 [0,2,0,0,0,0|1,1,0]=4 3907 B21R3.30898 C[C@H]1CC[C@@H](CC1)NCc2nc3ccc(cc3o2)Br 34a_100020625639_100000729449 [0,2,0,0,0,0|1,1,0]=4 3908 B21R3.30898 C[C@H]1CC[C@@H](CC1)NCc2nc3ccc(cc3o2)F 2230a_100020625639_100000687025 [0,2,0,0,0,0|1,1,0]=4 3909 B21R3.30898 C[C@H]1CC[C@@H](CC1)NCc2nc3ccc(cc3o2)F 34a_100020625639_100000687025 [0,2,0,0,0,0|1,1,0]=4 3910 B21R3.30898 Cc1ccc2[nH]c(nc2c1)CNC3CCC(CC3)C 270004a_100000754707_100000185489 [0,2,0,0,0,0|2,0,0]=4 3911 B21R3.30898 Cc1ccc2[nH]c(nc2c1)CNC3CCC(CC3)O 270004a_100000754707_100000764474 [0,2,0,0,0,0|2,0,0]=4 3912 B21R3.30898 Cc1ccc2nc([nH]c2c1)CN[C@H]3CC[C@@H](CC3)C 2230a_100020625639_100020603265 [0,2,0,0,0,0|2,0,0]=4 3913 B21R3.30898 Cc1ccc2nc([nH]c2c1)CN[C@H]3CC[C@@H](CC3)C 34a_100020625639_100020603265 [0,2,0,0,0,0|2,0,0]=4 3914 B21R3.30898 Cc1ccc2nc(oc2c1)CN[C@H]3CC[C@@H](CC3)C 2230a_100020625639_100011295139 [0,2,0,0,0,0|1,1,0]=4 3915 B21R3.30898 Cc1ccc2nc(oc2c1)CN[C@H]3CC[C@@H](CC3)C 34a_100020625639_100011295139 [0,2,0,0,0,0|1,1,0]=4 3916 B21R3.30898 Cc1ccc2nc(sc2c1)NCC3CCC(CC3)C 27a_103436935547_100010186437 [0,2,0,0,0,0|2,0,0]=4 3917 B21R3.30898 Cc1ccc2nc(sc2c1)SCC3CCN(CC3)C 62a_100015183002_100010186437 [0,2,0,0,0,0|2,0,0]=4 3918 B21R3.30898 Cc1ccc2oc(nc2c1)CN[C@H]3CC[C@@H](CC3)C 2230a_100020625639_100011374149 [0,2,0,0,0,0|1,1,0]=4 3919 B21R3.30898 Cc1ccc2oc(nc2c1)CN[C@H]3CC[C@@H](CC3)C 34a_100020625639_100011374149 [0,2,0,0,0,0|1,1,0]=4 3920 B21R3.30898 Cc1ccc2sc(cc2c1)CN[C@H]3CC[C@@H](CC3)C 207a_100020625639_100000050833 [0,2,0,0,0,0|2,0,0]=4 3921 B21R3.30898 Cc1ccc2sc(cc2c1)CN[C@H]3CC[C@@H](CC3)C 270004a_100020625639_100000050833 [0,2,0,0,0,0|2,0,0]=4 3922 B21R3.30898 Cc1ccc2sc(cc2c1)CN[C@H]3CC[C@H](CC3)O 207a_100020628982_100000050833 [0,2,0,0,0,0|2,0,0]=4 3923 B21R3.30898 Cc1ccc2sc(cc2c1)CN[C@H]3CC[C@H](CC3)O 270004a_100020628982_100000050833 [0,2,0,0,0,0|2,0,0]=4 3924 B21R3.30898 O[C@H]1CC[C@H](CC1)NCc2cc3cc(ccc3s2)Br 207a_100020628982_100010238522 [0,2,0,0,0,0|2,0,0]=4 3925 B21R3.30898 O[C@H]1CC[C@H](CC1)NCc2cc3cc(ccc3s2)Br 270004a_100020628982_100010238522 [0,2,0,0,0,0|2,0,0]=4 3926 B21R3.30898 O[C@H]1CC[C@H](CC1)NCc2cc3cc(ccc3s2)Cl 207a_100020628982_200000119088 [0,2,0,0,0,0|2,0,0]=4 3927 B21R3.30898 O[C@H]1CC[C@H](CC1)NCc2cc3cc(ccc3s2)Cl 270004a_100020628982_200000119088 [0,2,0,0,0,0|2,0,0]=4 3928 B21R3.30898 O[C@H]1CC[C@H](CC1)NCc2cc3ccc(cc3s2)Br 207a_100020628982_100009814784 [0,2,0,0,0,0|2,0,0]=4 3929 B21R3.30898 O[C@H]1CC[C@H](CC1)NCc2cc3ccc(cc3s2)Br 270004a_100020628982_100009814784 [0,2,0,0,0,0|2,0,0]=4 3930 B21R3.30898 O[C@H]1CC[C@H](CC1)NCc2nc3cc(ccc3[nH]2)F 207a_100020628982_200011915233 [0,2,0,0,0,0|2,0,0]=4 3931 B21R3.30898 O[C@H]1CC[C@H](CC1)NCc2nc3cc(ccc3[nH]2)F 270004a_100020628982_200011915233 [0,2,0,0,0,0|2,0,0]=4 3932 B21R3.30898 O[C@H]1CC[C@H](CC1)NCc2nc3ccc(cc3[nH]2)Br 207a_100020628982_200011361486 [0,2,0,0,0,0|2,0,0]=4 3933 B21R3.30898 O[C@H]1CC[C@H](CC1)NCc2nc3ccc(cc3[nH]2)Br 270004a_100020628982_200011361486 [0,2,0,0,0,0|2,0,0]=4 3934 B21R3.71105 COc1ccc2cc(sc2c1)CNC3CCCCC3 207a_100000182618_100000101954 [0,2,0,0,0,0|2,0,0]=4 3935 B21R3.71105 COc1ccc2cc(sc2c1)CNC3CCCCC3 270004a_100000182618_100000101954 [0,2,0,0,0,0|2,0,0]=4 3936 B21R3.71105 COc1ccc2nc(oc2c1)CNC3CCCCC3 2230a_100000182618_100012001647 [0,2,0,0,0,0|1,1,0]=4 3937 B21R3.71105 COc1ccc2nc(oc2c1)CNC3CCCCC3 34a_100000182618_100012001647 [0,2,0,0,0,0|1,1,0]=4 3938 B21R3.71105 COc1ccc2nc(sc2c1)C=CC3CCCCC3 271570a_100016283615_100010195960 [0,2,0,0,0,0|2,0,0]=4 3939 B21R3.71105 COc1ccc2nc(sc2c1)NCC3CCCCC3 27a_100000210473_100010195960 [0,2,0,0,0,0|2,0,0]=4 3940 B21R3.71105 COc1ccc2nc(sc2c1)SCC3CCCCC3 62a_100000211423_100010195960 [0,2,0,0,0,0|1,0,0]=3 3941 B21R3.71105 COc1ccc2nc(sc2c1)SCC3CCCCO3 62a_100000211543_100010195960 [0,2,0,0,0,0|2,0,0]=4 3942 B21R3.71105 COc1ccc2nc(sc2c1)SCC3CCCOC3 62a_100000741521_100010195960 [0,2,0,0,0,0|2,0,0]=4 3943 B21R3.71105 COc1ccc2nc(sc2c1)SCC3CCOCC3 62a_100000754603_100010195960 [0,2,0,0,0,0|2,0,0]=4 3944 B21R3.71105 COc1ccc2oc(nc2c1)CNC3CCCCC3 2230a_100000182618_100012184194 [0,2,0,0,0,0|1,1,0]=4 3945 B21R3.71105 COc1ccc2oc(nc2c1)CNC3CCCCC3 34a_100000182618_100012184194 [0,2,0,0,0,0|1,1,0]=4 3946 B21R3.71105 COc1ccc2sc(cc2c1)CNC3CCCCC3 207a_100000182618_100000101953 [0,2,0,0,0,0|2,0,0]=4 3947 B21R3.71105 COc1ccc2sc(cc2c1)CNC3CCCCC3 270004a_100000182618_100000101953 [0,2,0,0,0,0|2,0,0]=4 3948 B21R3.71105 N#Cc1ccc2nc([nH]c2c1)CNC3CCCCC3 2230a_100000182618_200000087547 [0,2,0,0,0,0|2,0,0]=4 3949 B21R3.71105 O=Cc1ccc2nc(sc2c1)C=CC3CCCCC3 271570a_100016283615_200010272093 [0,2,0,0,0,0|2,0,0]=4 3950 B21R3.71105 O=Cc1ccc2nc(sc2c1)NCC3CCCCC3 27a_100000210473_200010272093 [0,2,0,0,0,0|2,0,0]=4 3951 B21R3.71105 O=Cc1ccc2nc(sc2c1)SCC3CCCCC3 62a_100000211423_200010272093 [0,2,0,0,0,0|1,0,0]=3 3952 B21R3.71105 O=Cc1ccc2nc(sc2c1)SCC3CCCCC3 62a_200010272093_100000211423 [0,2,0,0,0,0|1,0,0]=3 3953 B21R3.71105 O=Cc1ccc2nc(sc2c1)SCC3CCCCO3 62a_100000211543_200010272093 [0,2,0,0,0,0|2,0,0]=4 3954 B21R3.71105 O=Cc1ccc2nc(sc2c1)SCC3CCCCO3 62a_200010272093_100000211543 [0,2,0,0,0,0|2,0,0]=4 3955 B21R3.71105 O=Cc1ccc2nc(sc2c1)SCC3CCCOC3 62a_100000741521_200010272093 [0,2,0,0,0,0|2,0,0]=4 3956 B21R3.71105 O=Cc1ccc2nc(sc2c1)SCC3CCCOC3 62a_200010272093_100000741521 [0,2,0,0,0,0|2,0,0]=4 3957 B21R3.71105 O=Cc1ccc2nc(sc2c1)SCC3CCOCC3 62a_100000754603_200010272093 [0,2,0,0,0,0|2,0,0]=4 3958 B21R3.71105 O=Cc1ccc2nc(sc2c1)SCC3CCOCC3 62a_200010272093_100000749018 [0,2,0,0,0,0|2,0,0]=4 3959 B21R3.154829 CC(NC1CCCCC1)c2nc3ccc(cc3[nH]2)Br 269862a_100000182618_200011795181 [0,2,0,0,0,0|2,0,0]=4 3960 B21R3.154829 CC(NC1CCCCC1)c2nc3ccc(cc3[nH]2)Br 270004a_100000182618_200011795181 [0,2,0,0,0,0|2,0,0]=4 3961 B21R3.154829 CN(CC1CCCCC1)c2nc3cc(ccc3s2)F 27a_100000736448_200010206605 [0,2,0,0,0,0|2,0,0]=4 3962 B21R3.154829 CN(CC1CCCCC1)c2nc3cc(ccc3s2)N 27a_100000736448_100010329861 [0,2,0,0,0,0|2,0,0]=4 3963 B21R3.154829 CN(CC1CCCCC1)c2nc3ccc(cc3s2)F 27a_100000736448_100000751617 [0,2,0,0,0,0|2,0,0]=4 3964 B21R3.154829 CN(CC1CCCCC1)c2nc3ccc(cc3s2)N 27a_100000736448_100010253933 [0,2,0,0,0,0|2,0,0]=4 3965 B21R3.154829 CN(CC1CCCCC1)c2nc3ccc(cc3s2)O 27a_100000736448_100010063415 [0,2,0,0,0,0|2,0,0]=4 3966 B21R3.154829 Cc1ccc2nc([nH]c2c1)C(C)NC3CCCCC3 269862a_100000182618_100000754901 [0,2,0,0,0,0|2,0,0]=4 3967 B21R3.154829 Cc1ccc2nc([nH]c2c1)C(C)NC3CCCCC3 270004a_100000182618_100000754901 [0,2,0,0,0,0|2,0,0]=4 3968 B21R3.154829 Cc1ccc2nc(sc2c1)N(C)CC3CCCCC3 27a_100000736448_100010186437 [0,2,0,0,0,0|2,0,0]=4 3969 B21R3.154830 Cc1ccc2nc([nH]c2c1C)CNC3CCCCC3 2230a_100000182618_200011935217 [0,2,0,0,0,0|2,0,0]=4 3970 B21R3.154830 Cc1ccc2nc([nH]c2c1C)CNC3CCCCC3 34a_100000182618_200011935217 [0,2,0,0,0,0|2,0,0]=4 3971 B21R3.3871600 CC1CCCCC1NCc2nc3cc(ccc3[nH]2)Br 2230a_100000211402_100000701424 [0,2,0,0,0,0|2,0,0]=4 3972 B21R3.3871600 CC1CCCCC1NCc2nc3cc(ccc3[nH]2)Br 34a_100000211402_100000701424 [0,2,0,0,0,0|2,0,0]=4 3973 B21R3.3871600 CC1CCCCC1NCc2nc3cc(ccc3[nH]2)Cl 2230a_100000211402_100000179801 [0,2,0,0,0,0|2,0,0]=4 3974 B21R3.3871600 CC1CCCCC1NCc2nc3cc(ccc3[nH]2)F 207a_100000211402_200011915233 [0,2,0,0,0,0|2,0,0]=4 3975 B21R3.3871600 CC1CCCCC1NCc2nc3cc(ccc3[nH]2)F 270004a_100000211402_200011915233 [0,2,0,0,0,0|2,0,0]=4 3976 B21R3.3871600 CC1CCCCC1NCc2nc3cc(ccc3o2)Br 2230a_100000211402_100000730559 [0,2,0,0,0,0|1,1,0]=4 3977 B21R3.3871600 CC1CCCCC1NCc2nc3cc(ccc3o2)Br 34a_100000211402_100000730559 [0,2,0,0,0,0|1,1,0]=4 3978 B21R3.3871600 CC1CCCCC1NCc2nc3cc(ccc3o2)Cl 2230a_100000211402_100011222916 [0,2,0,0,0,0|1,1,0]=4 3979 B21R3.3871600 CC1CCCCC1NCc2nc3cc(ccc3o2)F 2230a_100000211402_100000687093 [0,2,0,0,0,0|1,1,0]=4 3980 B21R3.3871600 CC1CCCCC1NCc2nc3cc(ccc3o2)F 34a_100000211402_100000687093 [0,2,0,0,0,0|1,1,0]=4 3981 B21R3.3871600 CC1CCCCC1NCc2nc3ccc(cc3[nH]2)Br 207a_100000211402_200011361486 [0,2,0,0,0,0|2,0,0]=4 3982 B21R3.3871600 CC1CCCCC1NCc2nc3ccc(cc3[nH]2)Br 270004a_100000211402_200011361486 [0,2,0,0,0,0|2,0,0]=4 3983 B21R3.3871600 CC1CCCCC1NCc2nc3ccc(cc3[nH]2)F 2230a_100000211402_200011347187 [0,2,0,0,0,0|2,0,0]=4 3984 B21R3.3871600 CC1CCCCC1NCc2nc3ccc(cc3o2)Br 2230a_100000211402_100000729449 [0,2,0,0,0,0|1,1,0]=4 3985 B21R3.3871600 CC1CCCCC1NCc2nc3ccc(cc3o2)Br 34a_100000211402_100000729449 [0,2,0,0,0,0|1,1,0]=4 3986 B21R3.3871600 CC1CCCCC1NCc2nc3ccc(cc3o2)F 2230a_100000211402_100000687025 [0,2,0,0,0,0|1,1,0]=4 3987 B21R3.3871600 CC1CCCCC1NCc2nc3ccc(cc3o2)F 34a_100000211402_100000687025 [0,2,0,0,0,0|1,1,0]=4 3988 B21R3.3871600 CN1CCCCC1CSc2nc3cc(ccc3s2)F 62a_100015185383_200010206605 [0,2,0,0,0,0|2,0,0]=4 3989 B21R3.3871600 CN1CCCCC1CSc2nc3cc(ccc3s2)F 62a_200010206605_100015185383 [0,2,0,0,0,0|2,0,0]=4 3990 B21R3.3871600 CN1CCCCC1CSc2nc3cc(ccc3s2)N 62a_100010329861_100015185383 [0,2,0,0,0,0|2,0,0]=4 3991 B21R3.3871600 CN1CCCCC1CSc2nc3cc(ccc3s2)N 62a_100015185383_100010329861 [0,2,0,0,0,0|2,0,0]=4 3992 B21R3.3871600 CN1CCCCC1CSc2nc3ccc(cc3s2)F 62a_100000751617_100015185383 [0,2,0,0,0,0|2,0,0]=4 3993 B21R3.3871600 CN1CCCCC1CSc2nc3ccc(cc3s2)F 62a_100015185383_100000751617 [0,2,0,0,0,0|2,0,0]=4 3994 B21R3.3871600 CN1CCCCC1CSc2nc3ccc(cc3s2)N 62a_100010253933_100015185383 [0,2,0,0,0,0|2,0,0]=4 3995 B21R3.3871600 CN1CCCCC1CSc2nc3ccc(cc3s2)N 62a_100015185383_100010253933 [0,2,0,0,0,0|2,0,0]=4 3996 B21R3.3871600 CN1CCCCC1CSc2nc3ccc(cc3s2)O 62a_100015185383_100010063415 [0,2,0,0,0,0|2,0,0]=4 3997 B21R3.3871600 Cc1ccc2[nH]c(nc2c1)CNC3CCCCC3C 270004a_100000754707_100000210921 [0,2,0,0,0,0|2,0,0]=4 3998 B21R3.3871600 Cc1ccc2nc([nH]c2c1)CNC3CCCCC3C 2230a_100000211402_100020603265 [0,2,0,0,0,0|2,0,0]=4 3999 B21R3.3871600 Cc1ccc2nc([nH]c2c1)CNC3CCCCC3C 34a_100000211402_100020603265 [0,2,0,0,0,0|2,0,0]=4 4000 B21R3.3871600 Cc1ccc2nc([nH]c2c1)CN[C@@H]3CCCC[C@H]3F 2230a_100015195156_100020603265 [0,2,0,0,0,0|2,0,0]=4 4001 B21R3.3871600 Cc1ccc2nc([nH]c2c1)CN[C@@H]3CCCC[C@H]3F 34a_100015195156_100020603265 [0,2,0,0,0,0|2,0,0]=4 4002 B21R3.3871600 Cc1ccc2nc(oc2c1)CNC3CCCCC3C 2230a_100000211402_100011295139 [0,2,0,0,0,0|1,1,0]=4 4003 B21R3.3871600 Cc1ccc2nc(oc2c1)CNC3CCCCC3C 34a_100000211402_100011295139 [0,2,0,0,0,0|1,1,0]=4 4004 B21R3.3871600 Cc1ccc2nc(oc2c1)CN[C@@H]3CCCC[C@H]3F 2230a_100015195156_100011295139 [0,2,0,0,0,0|1,1,0]=4 4005 B21R3.3871600 Cc1ccc2nc(oc2c1)CN[C@@H]3CCCC[C@H]3F 34a_100015195156_100011295139 [0,2,0,0,0,0|1,1,0]=4 4006 B21R3.3871600 Cc1ccc2nc(sc2c1)NCC3CCCCC3O 27a_100011216029_100010186437 [0,2,0,0,0,0|2,0,0]=4 4007 B21R3.3871600 Cc1ccc2nc(sc2c1)SCC3CCCCN3C 62a_100015185383_100010186437 [0,2,0,0,0,0|2,0,0]=4 4008 B21R3.3871600 Cc1ccc2oc(nc2c1)CNC3CCCCC3C 2230a_100000211402_100011374149 [0,2,0,0,0,0|1,1,0]=4 4009 B21R3.3871600 Cc1ccc2oc(nc2c1)CNC3CCCCC3C 34a_100000211402_100011374149 [0,2,0,0,0,0|1,1,0]=4 4010 B21R3.3871600 Cc1ccc2oc(nc2c1)CN[C@@H]3CCCC[C@H]3F 2230a_100015195156_100011374149 [0,2,0,0,0,0|1,1,0]=4 4011 B21R3.3871600 Cc1ccc2oc(nc2c1)CN[C@@H]3CCCC[C@H]3F 34a_100015195156_100011374149 [0,2,0,0,0,0|1,1,0]=4 4012 B21R3.3871600 Cc1ccc2sc(cc2c1)CNC3CCCCC3C 207a_100000211402_100000050833 [0,2,0,0,0,0|2,0,0]=4 4013 B21R3.3871600 Cc1ccc2sc(cc2c1)CNC3CCCCC3C 270004a_100000211402_100000050833 [0,2,0,0,0,0|2,0,0]=4 4014 B21R3.3871600 Cc1ccc2sc(cc2c1)CN[C@@H]3CCCC[C@@H]3O 207a_100015191688_100000050833 [0,2,0,0,0,0|2,0,0]=4 4015 B21R3.3871600 Cc1ccc2sc(cc2c1)CN[C@@H]3CCCC[C@@H]3O 270004a_100015191688_100000050833 [0,2,0,0,0,0|2,0,0]=4 4016 B21R3.3871600 Cc1ccc2sc(cc2c1)CN[C@@H]3CCCC[C@H]3F 207a_100015195156_100000050833 [0,2,0,0,0,0|2,0,0]=4 4017 B21R3.3871600 Cc1ccc2sc(cc2c1)CN[C@@H]3CCCC[C@H]3F 270004a_100015195156_100000050833 [0,2,0,0,0,0|2,0,0]=4 4018 B21R3.3871600 F[C@@H]1CCCC[C@H]1NCc2cc3cc(ccc3s2)Cl 207a_100015195156_200000119088 [0,2,0,0,0,0|2,0,0]=4 4019 B21R3.3871600 F[C@@H]1CCCC[C@H]1NCc2cc3cc(ccc3s2)Cl 270004a_100015195156_200000119088 [0,2,0,0,0,0|2,0,0]=4 4020 B21R3.3871600 F[C@@H]1CCCC[C@H]1NCc2nc3cc(ccc3[nH]2)Br 2230a_100015195156_100000701424 [0,2,0,0,0,0|2,0,0]=4 4021 B21R3.3871600 F[C@@H]1CCCC[C@H]1NCc2nc3cc(ccc3[nH]2)Br 34a_100015195156_100000701424 [0,2,0,0,0,0|2,0,0]=4 4022 B21R3.3871600 F[C@@H]1CCCC[C@H]1NCc2nc3cc(ccc3[nH]2)Cl 2230a_100015195156_100000179801 [0,2,0,0,0,0|2,0,0]=4 4023 B21R3.3871600 F[C@@H]1CCCC[C@H]1NCc2nc3cc(ccc3o2)Br 2230a_100015195156_100000730559 [0,2,0,0,0,0|1,1,0]=4 4024 B21R3.3871600 F[C@@H]1CCCC[C@H]1NCc2nc3cc(ccc3o2)Br 34a_100015195156_100000730559 [0,2,0,0,0,0|1,1,0]=4 4025 B21R3.3871600 F[C@@H]1CCCC[C@H]1NCc2nc3cc(ccc3o2)Cl 2230a_100015195156_100011222916 [0,2,0,0,0,0|1,1,0]=4 4026 B21R3.3871600 F[C@@H]1CCCC[C@H]1NCc2nc3ccc(cc3[nH]2)Br 207a_100015195156_200011361486 [0,2,0,0,0,0|2,0,0]=4 4027 B21R3.3871600 F[C@@H]1CCCC[C@H]1NCc2nc3ccc(cc3[nH]2)Br 270004a_100015195156_200011361486 [0,2,0,0,0,0|2,0,0]=4 4028 B21R3.3871600 F[C@@H]1CCCC[C@H]1NCc2nc3ccc(cc3o2)Br 2230a_100015195156_100000729449 [0,2,0,0,0,0|1,1,0]=4 4029 B21R3.3871600 F[C@@H]1CCCC[C@H]1NCc2nc3ccc(cc3o2)Br 34a_100015195156_100000729449 [0,2,0,0,0,0|1,1,0]=4 4030 B21R3.3871600 Fc1ccc2[nH]c(nc2c1)CN[C@@H]3CCCC[C@H]3F 207a_100015195156_200011915233 [0,2,0,0,0,0|2,0,0]=4 4031 B21R3.3871600 Fc1ccc2[nH]c(nc2c1)CN[C@@H]3CCCC[C@H]3F 270004a_100015195156_200011915233 [0,2,0,0,0,0|2,0,0]=4 4032 B21R3.3871600 Fc1ccc2nc([nH]c2c1)CN[C@@H]3CCCC[C@H]3F 2230a_100015195156_200011347187 [0,2,0,0,0,0|2,0,0]=4 4033 B21R3.3871600 Fc1ccc2nc(oc2c1)CN[C@@H]3CCCC[C@H]3F 2230a_100015195156_100000687025 [0,2,0,0,0,0|1,1,0]=4 4034 B21R3.3871600 Fc1ccc2nc(oc2c1)CN[C@@H]3CCCC[C@H]3F 34a_100015195156_100000687025 [0,2,0,0,0,0|1,1,0]=4 4035 B21R3.3871600 Fc1ccc2oc(nc2c1)CN[C@@H]3CCCC[C@H]3F 2230a_100015195156_100000687093 [0,2,0,0,0,0|1,1,0]=4 4036 B21R3.3871600 Fc1ccc2oc(nc2c1)CN[C@@H]3CCCC[C@H]3F 34a_100015195156_100000687093 [0,2,0,0,0,0|1,1,0]=4 4037 B21R3.3871600 Nc1ccc2nc(sc2c1)NCC3CCCCC3O 27a_100011216029_100010253933 [0,2,0,0,0,0|2,0,0]=4 4038 B21R3.3871600 Nc1ccc2sc(nc2c1)NCC3CCCCC3O 27a_100011216029_100010329861 [0,2,0,0,0,0|2,0,0]=4 4039 B21R3.3871600 OC1CCCCC1CNc2nc3cc(ccc3s2)F 27a_100011216029_200010206605 [0,2,0,0,0,0|2,0,0]=4 4040 B21R3.3871600 OC1CCCCC1CNc2nc3ccc(cc3s2)F 27a_100011216029_100000751617 [0,2,0,0,0,0|2,0,0]=4 4041 B21R3.3871600 O[C@H]1CCCC[C@H]1NCc2cc3cc(ccc3s2)Br 207a_100015191688_100010238522 [0,2,0,0,0,0|2,0,0]=4 4042 B21R3.3871600 O[C@H]1CCCC[C@H]1NCc2cc3cc(ccc3s2)Br 270004a_100015191688_100010238522 [0,2,0,0,0,0|2,0,0]=4 4043 B21R3.3871600 O[C@H]1CCCC[C@H]1NCc2cc3cc(ccc3s2)Cl 207a_100015191688_200000119088 [0,2,0,0,0,0|2,0,0]=4 4044 B21R3.3871600 O[C@H]1CCCC[C@H]1NCc2cc3cc(ccc3s2)Cl 270004a_100015191688_200000119088 [0,2,0,0,0,0|2,0,0]=4 4045 B21R3.3871600 O[C@H]1CCCC[C@H]1NCc2cc3ccc(cc3s2)Br 207a_100015191688_100009814784 [0,2,0,0,0,0|2,0,0]=4 4046 B21R3.3871600 O[C@H]1CCCC[C@H]1NCc2cc3ccc(cc3s2)Br 270004a_100015191688_100009814784 [0,2,0,0,0,0|2,0,0]=4 4047 B21R3.3871600 O[C@H]1CCCC[C@H]1NCc2nc3cc(ccc3[nH]2)F 207a_100015191688_200011915233 [0,2,0,0,0,0|2,0,0]=4 4048 B21R3.3871600 O[C@H]1CCCC[C@H]1NCc2nc3cc(ccc3[nH]2)F 270004a_100015191688_200011915233 [0,2,0,0,0,0|2,0,0]=4 4049 B21R3.3871600 O[C@H]1CCCC[C@H]1NCc2nc3ccc(cc3[nH]2)Br 207a_100015191688_200011361486 [0,2,0,0,0,0|2,0,0]=4 4050 B21R3.3871600 O[C@H]1CCCC[C@H]1NCc2nc3ccc(cc3[nH]2)Br 270004a_100015191688_200011361486 [0,2,0,0,0,0|2,0,0]=4 4051 B21R3.3871600 Oc1ccc2nc(sc2c1)NCC3CCCCC3O 27a_100011216029_100010063415 [0,2,0,0,0,0|2,0,0]=4 4052 B21R3.116761650 CC1(CCCCC1)CNc2nc3cc(ccc3s2)F 27a_100000706052_200010206605 [0,2,0,0,0,0|2,0,0]=4 4053 B21R3.116761650 CC1(CCCCC1)CNc2nc3cc(ccc3s2)N 27a_100000706052_100010329861 [0,2,0,0,0,0|2,0,0]=4 4054 B21R3.116761650 CC1(CCCCC1)CNc2nc3ccc(cc3s2)F 27a_100000706052_100000751617 [0,2,0,0,0,0|2,0,0]=4 4055 B21R3.116761650 CC1(CCCCC1)CNc2nc3ccc(cc3s2)N 27a_100000706052_100010253933 [0,2,0,0,0,0|2,0,0]=4 4056 B21R3.116761650 CC1(CCCCC1)CNc2nc3ccc(cc3s2)O 27a_100000706052_100010063415 [0,2,0,0,0,0|2,0,0]=4 4057 B21R3.116761650 CC1(CCCCC1)NCc2nc3cc(ccc3[nH]2)Br 2230a_100000741114_100000701424 [0,2,0,0,0,0|2,0,0]=4 4058 B21R3.116761650 CC1(CCCCC1)NCc2nc3cc(ccc3[nH]2)Br 34a_100000741114_100000701424 [0,2,0,0,0,0|2,0,0]=4 4059 B21R3.116761650 CC1(CCCCC1)NCc2nc3cc(ccc3[nH]2)Cl 2230a_100000741114_100000179801 [0,2,0,0,0,0|2,0,0]=4 4060 B21R3.116761650 CC1(CCCCC1)NCc2nc3cc(ccc3[nH]2)F 207a_100000741114_200011915233 [0,2,0,0,0,0|2,0,0]=4 4061 B21R3.116761650 CC1(CCCCC1)NCc2nc3cc(ccc3[nH]2)F 270004a_100000741114_200011915233 [0,2,0,0,0,0|2,0,0]=4 4062 B21R3.116761650 CC1(CCCCC1)NCc2nc3cc(ccc3o2)Br 2230a_100000741114_100000730559 [0,2,0,0,0,0|1,1,0]=4 4063 B21R3.116761650 CC1(CCCCC1)NCc2nc3cc(ccc3o2)Br 34a_100000741114_100000730559 [0,2,0,0,0,0|1,1,0]=4 4064 B21R3.116761650 CC1(CCCCC1)NCc2nc3cc(ccc3o2)Cl 2230a_100000741114_100011222916 [0,2,0,0,0,0|1,1,0]=4 4065 B21R3.116761650 CC1(CCCCC1)NCc2nc3cc(ccc3o2)F 2230a_100000741114_100000687093 [0,2,0,0,0,0|1,1,0]=4 4066 B21R3.116761650 CC1(CCCCC1)NCc2nc3cc(ccc3o2)F 34a_100000741114_100000687093 [0,2,0,0,0,0|1,1,0]=4 4067 B21R3.116761650 CC1(CCCCC1)NCc2nc3ccc(cc3[nH]2)Br 207a_100000741114_200011361486 [0,2,0,0,0,0|2,0,0]=4 4068 B21R3.116761650 CC1(CCCCC1)NCc2nc3ccc(cc3[nH]2)Br 270004a_100000741114_200011361486 [0,2,0,0,0,0|2,0,0]=4 4069 B21R3.116761650 CC1(CCCCC1)NCc2nc3ccc(cc3[nH]2)F 2230a_100000741114_200011347187 [0,2,0,0,0,0|2,0,0]=4 4070 B21R3.116761650 CC1(CCCCC1)NCc2nc3ccc(cc3o2)Br 2230a_100000741114_100000729449 [0,2,0,0,0,0|1,1,0]=4 4071 B21R3.116761650 CC1(CCCCC1)NCc2nc3ccc(cc3o2)Br 34a_100000741114_100000729449 [0,2,0,0,0,0|1,1,0]=4 4072 B21R3.116761650 CC1(CCCCC1)NCc2nc3ccc(cc3o2)F 2230a_100000741114_100000687025 [0,2,0,0,0,0|1,1,0]=4 4073 B21R3.116761650 CC1(CCCCC1)NCc2nc3ccc(cc3o2)F 34a_100000741114_100000687025 [0,2,0,0,0,0|1,1,0]=4 4074 B21R3.116761650 Cc1ccc2nc([nH]c2c1)CNC3(CCCCC3)C 2230a_100000741114_100020603265 [0,2,0,0,0,0|2,0,0]=4 4075 B21R3.116761650 Cc1ccc2nc([nH]c2c1)CNC3(CCCCC3)C 34a_100000741114_100020603265 [0,2,0,0,0,0|2,0,0]=4 4076 B21R3.116761650 Cc1ccc2nc(oc2c1)CNC3(CCCCC3)C 2230a_100000741114_100011295139 [0,2,0,0,0,0|1,1,0]=4 4077 B21R3.116761650 Cc1ccc2nc(oc2c1)CNC3(CCCCC3)C 34a_100000741114_100011295139 [0,2,0,0,0,0|1,1,0]=4 4078 B21R3.116761650 Cc1ccc2nc(sc2c1)NCC3(CCCCC3)C 27a_100000706052_100010186437 [0,2,0,0,0,0|2,0,0]=4 4079 B21R3.116761650 Cc1ccc2nc(sc2c1)NCC3(CCCCC3)O 27a_100000748649_100010186437 [0,2,0,0,0,0|2,0,0]=4 4080 B21R3.116761650 Cc1ccc2oc(nc2c1)CNC3(CCCCC3)C 2230a_100000741114_100011374149 [0,2,0,0,0,0|1,1,0]=4 4081 B21R3.116761650 Cc1ccc2oc(nc2c1)CNC3(CCCCC3)C 34a_100000741114_100011374149 [0,2,0,0,0,0|1,1,0]=4 4082 B21R3.116761650 Nc1ccc2nc(sc2c1)NCC3(CCCCC3)O 27a_100000748649_100010253933 [0,2,0,0,0,0|2,0,0]=4 4083 B21R3.116761650 Nc1ccc2sc(nc2c1)NCC3(CCCCC3)O 27a_100000748649_100010329861 [0,2,0,0,0,0|2,0,0]=4 4084 B21R3.116761650 OC1(CCCCC1)CNc2nc3cc(ccc3s2)F 27a_100000748649_200010206605 [0,2,0,0,0,0|2,0,0]=4 4085 B21R3.116761650 OC1(CCCCC1)CNc2nc3ccc(cc3s2)F 27a_100000748649_100000751617 [0,2,0,0,0,0|2,0,0]=4 4086 B21R3.116761650 Oc1ccc2nc(sc2c1)NCC3(CCCCC3)O 27a_100000748649_100010063415 [0,2,0,0,0,0|2,0,0]=4 4087 B21R3.21603 CC1CCCC(C1NCc2cc3ccccc3s2)C 269862a_100015187092_100000211995 [0,2,0,0,0,0|2,0,0]=4 4088 B21R3.21603 CC1CCCC(C1OCc2nc3ccccc3s2)C 34a_100011218088_100011217541 [0,2,0,0,0,0|2,0,0]=4 4089 B21R3.21603 CC1CCCC(C1OCc2nc3ccccc3s2)C 7a_100011218088_100011217541 [0,2,0,0,0,0|2,0,0]=4 4090 B21R3.75855 CCC1CCCCC1NCc2cc3ccccc3s2 269862a_100015187092_100000757040 [0,2,0,0,0,0|2,0,0]=4 4091 B21R3.75855 CCC1CCCCC1NCc2cc3ccccc3s2 270004a_100015187092_100000757040 [0,2,0,0,0,0|2,0,0]=4 4092 B21R3.75855 CCC1CCCCC1NCc2nc3ccccc3[nH]2 270004a_100000729406_100000757040 [0,2,0,0,0,0|2,0,0]=4 4093 B21R3.75855 CCC1CCCCC1NCc2nc3ccccc3o2 270004a_100000733820_100000757040 [0,2,0,0,0,0|1,1,0]=4 4094 B21R3.75855 CCC1CCCCC1OCc2nc3ccccc3s2 34a_100000210738_100011217541 [0,2,0,0,0,0|2,0,0]=4 4095 B21R3.75855 CCC1CCCCC1OCc2nc3ccccc3s2 7a_100000210738_100011217541 [0,2,0,0,0,0|2,0,0]=4 4096 B21R3.75855 CN[C@@H]1CCCC[C@H]1OCc2nc3ccccc3s2 34a_100000708425_100011217541 [0,2,0,0,0,0|2,0,0]=4 4097 B21R3.75855 COC1CCCCC1NCc2cc3ccccc3s2 207a_100011208099_100000686906 [0,2,0,0,0,0|2,0,0]=4 4098 B21R3.75855 COC1CCCCC1NCc2cc3ccccc3s2 270004a_100011208099_100000686906 [0,2,0,0,0,0|2,0,0]=4 4099 B21R3.75855 COC1CCCCC1NCc2cc3ccccc3s2 270004a_100015187092_100000740605 [0,2,0,0,0,0|2,0,0]=4 4100 B21R3.75855 COC1CCCCC1NCc2nc3ccccc3[nH]2 207a_100011208099_100000185668 [0,2,0,0,0,0|2,0,0]=4 4101 B21R3.75855 COC1CCCCC1NCc2nc3ccccc3[nH]2 270004a_100000729406_100000740605 [0,2,0,0,0,0|2,0,0]=4 4102 B21R3.75855 COC1CCCCC1NCc2nc3ccccc3[nH]2 270004a_100011208099_100000185668 [0,2,0,0,0,0|2,0,0]=4 4103 B21R3.75855 COC1CCCCC1NCc2nc3ccccc3o2 270004a_100000733820_100000740605 [0,2,0,0,0,0|1,1,0]=4 4104 B21R3.75855 COC1CCCCC1NCc2nc3ccccc3o2 34a_100011208099_200012361514 [0,2,0,0,0,0|1,1,0]=4 4105 B21R3.75855 COC1CCCCC1NCc2nc3ccccc3s2 270004a_100011208099_100011204187 [0,2,0,0,0,0|1,0,0]=3 4106 B21R3.75855 COC1CCCCC1NCc2nc3ccccc3s2 34a_100011208099_100011217541 [0,2,0,0,0,0|1,0,0]=3 4107 B21R3.75855 CO[C@H]1CCCC[C@@H]1OCc2nc3ccccc3s2 34a_200009815850_100011217541 [0,2,0,0,0,0|2,0,0]=4 4108 B21R3.75855 CO[C@H]1CCCC[C@@H]1OCc2nc3ccccc3s2 7a_200009815850_100011217541 [0,2,0,0,0,0|2,0,0]=4 4109 B21R3.75855 NCC1CCCCC1OCc2nc3ccccc3s2 34a_100011216029_100011217541 [0,2,0,0,0,0|2,0,0]=4 4110 B21R3.75855 OCC1CCCCC1NCc2cc3ccccc3s2 270004a_100015187092_100009861125 [0,2,0,0,0,0|2,0,0]=4 4111 B21R3.75855 OCC1CCCCC1NCc2nc3ccccc3[nH]2 270004a_100000729406_100009861125 [0,2,0,0,0,0|2,0,0]=4 4112 B21R3.75855 OCC1CCCCC1NCc2nc3ccccc3o2 270004a_100000733820_100009861125 [0,2,0,0,0,0|1,1,0]=4 4113 B21R3.75855 OCC1COCCC1NCc2nc3ccccc3s2 2230a_214813039666_100000766747 [0,2,0,0,0,0|2,0,0]=4 4114 B21R3.75855 OCC1COCCC1NCc2nc3ccccc3s2 270004a_214813039666_100011204187 [0,2,0,0,0,0|2,0,0]=4 4115 B21R3.75855 OCC1COCCC1NCc2nc3ccccc3s2 34a_214813039666_100011217541 [0,2,0,0,0,0|2,0,0]=4 4116 B21R3.218709 CC1CCCCC1NCc2nc3c(cccc3[nH]2)F 270004a_100011347252_100000210921 [0,2,0,0,0,0|2,0,0]=4 4117 B21R3.218709 CN1CCCCC1CSc2nc3c(cccc3s2)F 62a_100015185383_100010008856 [0,2,0,0,0,0|2,0,0]=4 4118 B21R3.218709 Cc1cccc2c1nc([nH]2)CNC3CCCCC3C 270004a_100015183929_100000210921 [0,2,0,0,0,0|2,0,0]=4 4119 B21R3.218709 Cc1cccc2c1nc(o2)CNC3CCCCC3C 2230a_100000211402_100011397728 [0,2,0,0,0,0|1,1,0]=4 4120 B21R3.218709 Cc1cccc2c1nc(o2)CNC3CCCCC3C 34a_100000211402_100011397728 [0,2,0,0,0,0|1,1,0]=4 4121 B21R3.218709 Cc1cccc2c1nc(o2)CN[C@@H]3CCCC[C@H]3F 2230a_100015195156_100011397728 [0,2,0,0,0,0|1,1,0]=4 4122 B21R3.218709 Cc1cccc2c1nc(o2)CN[C@@H]3CCCC[C@H]3F 34a_100015195156_100011397728 [0,2,0,0,0,0|1,1,0]=4 4123 B21R3.218709 Cc1cccc2c1nc(s2)NCC3CCCCC3O 27a_100011216029_100010008827 [0,2,0,0,0,0|2,0,0]=4 4124 B21R3.218709 Cc1cccc2c1nc(s2)SCC3CCCCN3C 62a_100015185383_100010008827 [0,2,0,0,0,0|2,0,0]=4 4125 B21R3.218709 F[C@@H]1CCCC[C@H]1NCc2cc3c(cccc3s2)Cl 207a_100015195156_100000117544 [0,2,0,0,0,0|2,0,0]=4 4126 B21R3.218709 F[C@@H]1CCCC[C@H]1NCc2cc3c(cccc3s2)Cl 270004a_100015195156_100000117544 [0,2,0,0,0,0|2,0,0]=4 4127 B21R3.218709 OC1CCCCC1CNc2nc3c(cccc3s2)F 27a_100011216029_100010008856 [0,2,0,0,0,0|2,0,0]=4 4128 B21R3.218709 O[C@H]1CCCC[C@H]1NCc2cc3c(cccc3s2)Br 207a_100015191688_100010109917 [0,2,0,0,0,0|2,0,0]=4 4129 B21R3.218709 O[C@H]1CCCC[C@H]1NCc2cc3c(cccc3s2)Br 270004a_100015191688_100010109917 [0,2,0,0,0,0|2,0,0]=4 4130 B21R3.218709 O[C@H]1CCCC[C@H]1NCc2cc3c(cccc3s2)Cl 207a_100015191688_100000117544 [0,2,0,0,0,0|2,0,0]=4 4131 B21R3.218709 O[C@H]1CCCC[C@H]1NCc2cc3c(cccc3s2)Cl 270004a_100015191688_100000117544 [0,2,0,0,0,0|2,0,0]=4 4132 B21R3.218709 O[C@H]1CCCC[C@H]1NCc2cc3cccc(c3s2)Br 207a_100015191688_100010110135 [0,2,0,0,0,0|2,0,0]=4 4133 B21R3.218709 O[C@H]1CCCC[C@H]1NCc2cc3cccc(c3s2)Br 270004a_100015191688_100010110135 [0,2,0,0,0,0|2,0,0]=4 4134 B21R3.223271 CC1(CCCCC1NCc2cc3ccccc3s2)C 269862a_100015187092_100000031690 [0,2,0,0,0,0|2,0,0]=4 4135 B21R3.223271 FC1(CCCCC1NCc2cc3ccccc3s2)F 207a_100000686509_100000686906 [0,2,0,0,0,0|2,0,0]=4 4136 B21R3.223271 FC1(CCCCC1NCc2cc3ccccc3s2)F 270004a_100000686509_100000686906 [0,2,0,0,0,0|2,0,0]=4 4137 B21R3.223271 FC1(CCCCC1NCc2nc3ccccc3[nH]2)F 207a_100000686509_100000185668 [0,2,0,0,0,0|2,0,0]=4 4138 B21R3.223271 FC1(CCCCC1NCc2nc3ccccc3[nH]2)F 2230a_100000686509_100000737899 [0,2,0,0,0,0|2,0,0]=4 4139 B21R3.223271 FC1(CCCCC1NCc2nc3ccccc3[nH]2)F 270004a_100000686509_100000185668 [0,2,0,0,0,0|2,0,0]=4 4140 B21R3.223271 FC1(CCCCC1NCc2nc3ccccc3o2)F 2230a_100000686509_100000195508 [0,2,0,0,0,0|1,1,0]=4 4141 B21R3.223271 FC1(CCCCC1NCc2nc3ccccc3o2)F 34a_100000686509_200012361514 [0,2,0,0,0,0|1,1,0]=4 4142 B21R3.223271 FC1(CCCCC1NCc2nc3ccccc3s2)F 2230a_100000686509_100000766747 [0,2,0,0,0,0|1,0,0]=3 4143 B21R3.223271 FC1(CCCCC1NCc2nc3ccccc3s2)F 270004a_100000686509_100011204187 [0,2,0,0,0,0|1,0,0]=3 4144 B21R3.223271 FC1(CCCCC1NCc2nc3ccccc3s2)F 34a_100000686509_100011217541 [0,2,0,0,0,0|1,0,0]=3 4145 B21R3.3957577 CC(NC1CCCCC1C)c2nc3ccccc3[nH]2 270004a_100000211402_100000199114 [0,2,0,0,0,0|2,0,0]=4 4146 B21R3.3957577 CC(NC1CCCCC1C)c2nc3ccccc3s2 270004a_100000213967_100000210921 [0,2,0,0,0,0|1,0,0]=3 4147 B21R3.3957577 CC(NC1CCNCC1C)c2nc3ccccc3s2 270004a_100000213967_100000703950 [0,2,0,0,0,0|2,0,0]=4 4148 B21R3.3957577 CC(NC1CCOCC1C)c2nc3ccccc3s2 270004a_100000213967_100000755695 [0,2,0,0,0,0|2,0,0]=4 4149 B21R3.3957577 CC(N[C@@H]1CCCC[C@@H]1O)c2cc3ccccc3s2 269862a_100015191688_100011216072 [0,2,0,0,0,0|2,0,0]=4 4150 B21R3.3957577 CC(N[C@@H]1CCCC[C@@H]1O)c2nc3ccccc3[nH]2 270004a_100015191688_100000199114 [0,2,0,0,0,0|2,0,0]=4 4151 B21R3.3957577 CC(N[C@@H]1CCCC[C@H]1F)c2cc3ccccc3s2 269862a_100015195156_100011216072 [0,2,0,0,0,0|2,0,0]=4 4152 B21R3.3957577 CC(N[C@@H]1CCCC[C@H]1F)c2nc3ccccc3[nH]2 270004a_100015195156_100000199114 [0,2,0,0,0,0|2,0,0]=4 4153 B21R3.3957577 CC1CCCCC1N[C@@H](C)c2nc3ccccc3[nH]2 270004a_100015206438_100000210921 [0,2,0,0,0,0|2,0,0]=4 4154 B21R3.4001273 CC1CCC(C(C1)C)OCc2nc3ccccc3s2 34a_100011539931_100011217541 [0,2,0,0,0,0|2,0,0]=4 4155 B21R3.4001273 CC1CCC(C(C1)C)OCc2nc3ccccc3s2 7a_100011539931_100011217541 [0,2,0,0,0,0|2,0,0]=4 4156 B21R3.30899 CC1CCC(CC1)CNc2nc3c(cccc3s2)F 27a_103436935547_100010008856 [0,2,0,0,0,0|2,0,0]=4 4157 B21R3.30899 CC1CCC(CC1)NCc2nc3c(cccc3[nH]2)F 270004a_100011347252_100000185489 [0,2,0,0,0,0|2,0,0]=4 4158 B21R3.30899 CN1CCC(CC1)CSc2nc3c(cccc3s2)F 62a_100015183002_100010008856 [0,2,0,0,0,0|2,0,0]=4 4159 B21R3.30899 Cc1cccc2c1nc([nH]2)CNC3CCC(CC3)C 270004a_100015183929_100000185489 [0,2,0,0,0,0|2,0,0]=4 4160 B21R3.30899 Cc1cccc2c1nc([nH]2)CNC3CCC(CC3)O 270004a_100015183929_100000764474 [0,2,0,0,0,0|2,0,0]=4 4161 B21R3.30899 Cc1cccc2c1nc(o2)CN[C@H]3CC[C@@H](CC3)C 2230a_100020625639_100011397728 [0,2,0,0,0,0|1,1,0]=4 4162 B21R3.30899 Cc1cccc2c1nc(o2)CN[C@H]3CC[C@@H](CC3)C 34a_100020625639_100011397728 [0,2,0,0,0,0|1,1,0]=4 4163 B21R3.30899 Cc1cccc2c1nc(s2)NCC3CCC(CC3)C 27a_103436935547_100010008827 [0,2,0,0,0,0|2,0,0]=4 4164 B21R3.30899 Cc1cccc2c1nc(s2)SCC3CCN(CC3)C 62a_100015183002_100010008827 [0,2,0,0,0,0|2,0,0]=4 4165 B21R3.30899 OC1CCC(CC1)NCc2nc3c(cccc3[nH]2)F 270004a_100011347252_100000764474 [0,2,0,0,0,0|2,0,0]=4 4166 B21R3.30899 O[C@H]1CC[C@H](CC1)NCc2cc3c(cccc3s2)Br 207a_100020628982_100010109917 [0,2,0,0,0,0|2,0,0]=4 4167 B21R3.30899 O[C@H]1CC[C@H](CC1)NCc2cc3c(cccc3s2)Br 270004a_100020628982_100010109917 [0,2,0,0,0,0|2,0,0]=4 4168 B21R3.30899 O[C@H]1CC[C@H](CC1)NCc2cc3c(cccc3s2)Cl 207a_100020628982_100000117544 [0,2,0,0,0,0|2,0,0]=4 4169 B21R3.30899 O[C@H]1CC[C@H](CC1)NCc2cc3c(cccc3s2)Cl 270004a_100020628982_100000117544 [0,2,0,0,0,0|2,0,0]=4 4170 B21R3.30899 O[C@H]1CC[C@H](CC1)NCc2cc3cccc(c3s2)Br 207a_100020628982_100010110135 [0,2,0,0,0,0|2,0,0]=4 4171 B21R3.30899 O[C@H]1CC[C@H](CC1)NCc2cc3cccc(c3s2)Br 270004a_100020628982_100010110135 [0,2,0,0,0,0|2,0,0]=4 4172 B21R3.393361 CN(CC1CCCCC1)c2nc3c(cccc3s2)F 27a_100000736448_100010008856 [0,2,0,0,0,0|2,0,0]=4 4173 B21R3.393361 Cc1cccc2c1nc(s2)N(C)CC3CCCCC3 27a_100000736448_100010008827 [0,2,0,0,0,0|2,0,0]=4 4174 B21R3.727906 COc1cccc2c1nc(s2)C=CC3CCCCC3 271570a_100016283615_100010195968 [0,2,0,0,0,0|2,0,0]=4 4175 B21R3.727906 COc1cccc2c1nc(s2)NCC3CCCCC3 27a_100000210473_100010195968 [0,2,0,0,0,0|2,0,0]=4 4176 B21R3.38112063 CC1(CCCCC1)CNc2nc3c(cccc3s2)F 27a_100000706052_100010008856 [0,2,0,0,0,0|2,0,0]=4 4177 B21R3.38112063 Cc1cccc2c1nc(o2)CNC3(CCCCC3)C 2230a_100000741114_100011397728 [0,2,0,0,0,0|1,1,0]=4 4178 B21R3.38112063 Cc1cccc2c1nc(o2)CNC3(CCCCC3)C 34a_100000741114_100011397728 [0,2,0,0,0,0|1,1,0]=4 4179 B21R3.38112063 Cc1cccc2c1nc(s2)NCC3(CCCCC3)C 27a_100000706052_100010008827 [0,2,0,0,0,0|2,0,0]=4 4180 B21R3.38112063 Cc1cccc2c1nc(s2)NCC3(CCCCC3)O 27a_100000748649_100010008827 [0,2,0,0,0,0|2,0,0]=4 4181 B21R3.38112063 OC1(CCCCC1)CNc2nc3c(cccc3s2)F 27a_100000748649_100010008856 [0,2,0,0,0,0|2,0,0]=4 4182 B21R3.659958 C=C1CCC(CC1)NC(C)c2nc3ccccc3s2 270004a_100000213967_100010272673 [0,2,0,0,0,0|1,0,1]=4 4183 B21R3.659958 CC(NC1CCC(CC1)O)c2nc3ccccc3s2 270004a_100000213967_100000764474 [0,2,0,0,0,0|1,0,0]=3 4184 B21R3.659958 CC(NC1CCN(CC1)C)c2nc3ccccc3s2 270004a_100000213967_100000210137 [0,2,0,0,0,0|2,0,0]=4 4185 B21R3.659958 CC(N[C@H]1CC[C@@H](CC1)C)c2nc3ccccc3[nH]2 270004a_100020625639_100000199114 [0,2,0,0,0,0|2,0,0]=4 4186 B21R3.659958 CC(N[C@H]1CC[C@H](CC1)O)c2cc3ccccc3s2 269862a_100020628982_100011216072 [0,2,0,0,0,0|2,0,0]=4 4187 B21R3.659958 CC(N[C@H]1CC[C@H](CC1)O)c2nc3ccccc3[nH]2 270004a_100020628982_100000199114 [0,2,0,0,0,0|2,0,0]=4 4188 B21R3.659958 CC1CCC(CC1)NC(C)c2nc3ccccc3s2 270004a_100000213967_100000185489 [0,2,0,0,0,0|1,0,0]=3 4189 B21R3.659958 CC1CCC(CC1)N[C@@H](C)c2nc3ccccc3[nH]2 270004a_100015206438_100000185489 [0,2,0,0,0,0|2,0,0]=4 4190 B21R3.659958 C[C@H](NC1CCC(CC1)O)c2nc3ccccc3[nH]2 270004a_100015206438_100000764474 [0,2,0,0,0,0|2,0,0]=4 4191 B21R3.23765488 FC(F)(NC1CCCCC1)c2nc3ccccc3o2 34a_100000182618_100009817096 [0,2,0,0,0,0|1,1,0]=4 4192 B21R3.23765488 O=S(=O)(NC1CCCCC1)c2cc3ccccc3s2 270084a_100000182618_100000042183 [0,2,0,0,0,0|1,0,1]=4 4193 B21R3.23765488 O=S(=O)(NC1CCCCC1)c2cc3ccccc3s2 274078a_100000182618_100000042183 [0,2,0,0,0,0|1,0,1]=4 4194 B21R3.147573735 CC(NC1(CCCCC1)C)c2nc3ccccc3[nH]2 270004a_100000741114_100000199114 [0,2,0,0,0,0|2,0,0]=4 4195 B21R3.9705 C#CC1CCC(CC1)NCc2cc3ccccc3s2 270004a_100015187092_100000722563 [0,2,0,0,0,0|2,0,0]=4 4196 B21R3.9705 C#CC1CCC(CC1)NCc2nc3ccccc3[nH]2 270004a_100000729406_100000722563 [0,2,0,0,0,0|2,0,0]=4 4197 B21R3.9705 C#CC1CCC(CC1)NCc2nc3ccccc3o2 270004a_100000733820_100000722563 [0,2,0,0,0,0|1,1,0]=4 4198 B21R3.9705 CCC1CCC(CC1)NCc2cc3ccccc3s2 207a_100011194317_100000686906 [0,2,0,0,0,0|2,0,0]=4 4199 B21R3.9705 CCC1CCC(CC1)NCc2cc3ccccc3s2 270004a_100011194317_100000686906 [0,2,0,0,0,0|2,0,0]=4 4200 B21R3.9705 CCC1CCC(CC1)NCc2cc3ccccc3s2 270004a_100015187092_100000210631 [0,2,0,0,0,0|2,0,0]=4 4201 B21R3.9705 CCC1CCC(CC1)NCc2nc3ccccc3[nH]2 207a_100011194317_100000185668 [0,2,0,0,0,0|2,0,0]=4 4202 B21R3.9705 CCC1CCC(CC1)NCc2nc3ccccc3[nH]2 2230a_100011194317_100000737899 [0,2,0,0,0,0|2,0,0]=4 4203 B21R3.9705 CCC1CCC(CC1)NCc2nc3ccccc3[nH]2 270004a_100000729406_100000210631 [0,2,0,0,0,0|2,0,0]=4 4204 B21R3.9705 CCC1CCC(CC1)NCc2nc3ccccc3[nH]2 270004a_100011194317_100000185668 [0,2,0,0,0,0|2,0,0]=4 4205 B21R3.9705 CCC1CCC(CC1)NCc2nc3ccccc3o2 2230a_100011194317_100000195508 [0,2,0,0,0,0|1,1,0]=4 4206 B21R3.9705 CCC1CCC(CC1)NCc2nc3ccccc3o2 270004a_100000733820_100000210631 [0,2,0,0,0,0|1,1,0]=4 4207 B21R3.9705 CCC1CCC(CC1)NCc2nc3ccccc3o2 34a_100011194317_200012361514 [0,2,0,0,0,0|1,1,0]=4 4208 B21R3.9705 CCC1CCC(CC1)NCc2nc3ccccc3s2 2230a_100011194317_100000766747 [0,2,0,0,0,0|1,0,0]=3 4209 B21R3.9705 CCC1CCC(CC1)NCc2nc3ccccc3s2 270004a_100011194317_100011204187 [0,2,0,0,0,0|1,0,0]=3 4210 B21R3.9705 CCC1CCC(CC1)NCc2nc3ccccc3s2 34a_100011194317_100011217541 [0,2,0,0,0,0|1,0,0]=3 4211 B21R3.9705 CCC1CCC(CC1)OCc2nc3ccccc3s2 34a_100011215326_100011217541 [0,2,0,0,0,0|2,0,0]=4 4212 B21R3.9705 CCC1CCC(CC1)OCc2nc3ccccc3s2 7a_100011215326_100011217541 [0,2,0,0,0,0|2,0,0]=4 4213 B21R3.9705 CCN1CCC(CC1)NCc2nc3ccccc3s2 2230a_100000199033_100000766747 [0,2,0,0,0,0|2,0,0]=4 4214 B21R3.9705 CCN1CCC(CC1)NCc2nc3ccccc3s2 270004a_100000199033_100011204187 [0,2,0,0,0,0|2,0,0]=4 4215 B21R3.9705 CNC1CCC(CC1)NCc2cc3ccccc3s2 270004a_100015187092_200016988011 [0,2,0,0,0,0|2,0,0]=4 4216 B21R3.9705 CNC1CCC(CC1)NCc2nc3ccccc3[nH]2 270004a_100000729406_200016988011 [0,2,0,0,0,0|2,0,0]=4 4217 B21R3.9705 CNC1CCC(CC1)NCc2nc3ccccc3o2 270004a_100000733820_200016988011 [0,2,0,0,0,0|1,1,0]=4 4218 B21R3.9705 CN[C@H]1CC[C@H](CC1)OCc2nc3ccccc3s2 34a_100020636401_100011217541 [0,2,0,0,0,0|2,0,0]=4 4219 B21R3.9705 COC1CCC(CC1)CSc2nc3ccccc3[nH]2 62a_100013032858_100009814255 [0,2,0,0,0,0|2,0,0]=4 4220 B21R3.9705 COC1CCC(CC1)CSc2nc3ccccc3s2 62a_100013032858_100000751744 [0,2,0,0,0,0|1,0,0]=3 4221 B21R3.9705 COC1CCC(CC1)CSc2nc3cccnc3s2 62a_100010188088_100013032858 [0,2,0,0,0,0|2,0,0]=4 4222 B21R3.9705 COC1CCC(CC1)CSc2nc3cccnc3s2 62a_100013032858_100010188088 [0,2,0,0,0,0|2,0,0]=4 4223 B21R3.9705 COC1CCC(CC1)NCc2cc3ccccc3s2 207a_100015205214_100000686906 [0,2,0,0,0,0|2,0,0]=4 4224 B21R3.9705 COC1CCC(CC1)NCc2cc3ccccc3s2 270004a_100015187092_100000747084 [0,2,0,0,0,0|2,0,0]=4 4225 B21R3.9705 COC1CCC(CC1)NCc2cc3ccccc3s2 270004a_100015205214_100000686906 [0,2,0,0,0,0|2,0,0]=4 4226 B21R3.9705 COC1CCC(CC1)NCc2nc3ccccc3[nH]2 207a_100015205214_100000185668 [0,2,0,0,0,0|2,0,0]=4 4227 B21R3.9705 COC1CCC(CC1)NCc2nc3ccccc3[nH]2 270004a_100000729406_100000747084 [0,2,0,0,0,0|2,0,0]=4 4228 B21R3.9705 COC1CCC(CC1)NCc2nc3ccccc3[nH]2 270004a_100015205214_100000185668 [0,2,0,0,0,0|2,0,0]=4 4229 B21R3.9705 COC1CCC(CC1)NCc2nc3ccccc3o2 270004a_100000733820_100000747084 [0,2,0,0,0,0|1,1,0]=4 4230 B21R3.9705 COC1CCC(CC1)NCc2nc3ccccc3o2 34a_100015205214_200012361514 [0,2,0,0,0,0|1,1,0]=4 4231 B21R3.9705 COC1CCC(CC1)NCc2nc3ccccc3s2 270004a_100015205214_100011204187 [0,2,0,0,0,0|1,0,0]=3 4232 B21R3.9705 COC1CCC(CC1)NCc2nc3ccccc3s2 34a_100015205214_100011217541 [0,2,0,0,0,0|1,0,0]=3 4233 B21R3.9705 COC1CCC(CC1)OCc2nc3ccccc3s2 34a_100011581665_100011217541 [0,2,0,0,0,0|2,0,0]=4 4234 B21R3.9705 COC1CCC(CC1)OCc2nc3ccccc3s2 7a_100011581665_100011217541 [0,2,0,0,0,0|2,0,0]=4 4235 B21R3.9705 N#CC1CCC(CC1)NCc2cc3ccccc3s2 207a_100102422146_100000686906 [0,2,0,0,0,0|2,0,0]=4 4236 B21R3.9705 N#CC1CCC(CC1)NCc2cc3ccccc3s2 270004a_100015187092_100009880307 [0,2,0,0,0,0|2,0,0]=4 4237 B21R3.9705 N#CC1CCC(CC1)NCc2cc3ccccc3s2 270004a_100102422146_100000686906 [0,2,0,0,0,0|2,0,0]=4 4238 B21R3.9705 N#CC1CCC(CC1)NCc2nc3ccccc3[nH]2 207a_100102422146_100000185668 [0,2,0,0,0,0|2,0,0]=4 4239 B21R3.9705 N#CC1CCC(CC1)NCc2nc3ccccc3[nH]2 2230a_100102422146_100000737899 [0,2,0,0,0,0|2,0,0]=4 4240 B21R3.9705 N#CC1CCC(CC1)NCc2nc3ccccc3[nH]2 270004a_100000729406_100009880307 [0,2,0,0,0,0|2,0,0]=4 4241 B21R3.9705 N#CC1CCC(CC1)NCc2nc3ccccc3[nH]2 270004a_100102422146_100000185668 [0,2,0,0,0,0|2,0,0]=4 4242 B21R3.9705 N#CC1CCC(CC1)NCc2nc3ccccc3o2 2230a_100102422146_100000195508 [0,2,0,0,0,0|1,1,0]=4 4243 B21R3.9705 N#CC1CCC(CC1)NCc2nc3ccccc3o2 270004a_100000733820_100009880307 [0,2,0,0,0,0|1,1,0]=4 4244 B21R3.9705 N#CC1CCC(CC1)NCc2nc3ccccc3o2 34a_100102422146_200012361514 [0,2,0,0,0,0|1,1,0]=4 4245 B21R3.9705 N#CC1CCC(CC1)NCc2nc3ccccc3s2 2230a_100102422146_100000766747 [0,2,0,0,0,0|1,0,0]=3 4246 B21R3.9705 N#CC1CCC(CC1)NCc2nc3ccccc3s2 270004a_100102422146_100011204187 [0,2,0,0,0,0|1,0,0]=3 4247 B21R3.9705 N#CC1CCC(CC1)NCc2nc3ccccc3s2 34a_100102422146_100011217541 [0,2,0,0,0,0|1,0,0]=3 4248 B21R3.9705 N#CC1CCC(CC1)OCc2nc3ccccc3s2 34a_100009859913_100011217541 [0,2,0,0,0,0|2,0,0]=4 4249 B21R3.9705 N#CC1CCC(CC1)OCc2nc3ccccc3s2 7a_100009859913_100011217541 [0,2,0,0,0,0|2,0,0]=4 4250 B21R3.9705 OCC1CCC(CC1)NCc2cc3ccccc3s2 270004a_100015187092_100000062911 [0,2,0,0,0,0|2,0,0]=4 4251 B21R3.9705 OCC1CCC(CC1)NCc2nc3ccccc3[nH]2 270004a_100000729406_100000062911 [0,2,0,0,0,0|2,0,0]=4 4252 B21R3.9705 OCC1CCC(CC1)NCc2nc3ccccc3o2 270004a_100000733820_100000062911 [0,2,0,0,0,0|1,1,0]=4 4253 B21R3.9705 OC[C@H]1CC[C@@H](CC1)CNc2nc3ccccc3s2 27a_100121570882_100000751744 [0,2,0,0,0,0|2,0,0]=4 4254 B21R3.9705 OC[C@H]1CC[C@@H](CC1)NCc2cc3ccccc3s2 207a_100009821084_100000686906 [0,2,0,0,0,0|2,0,0]=4 4255 B21R3.9705 OC[C@H]1CC[C@@H](CC1)NCc2cc3ccccc3s2 270004a_100009821084_100000686906 [0,2,0,0,0,0|2,0,0]=4 4256 B21R3.9705 OC[C@H]1CC[C@@H](CC1)NCc2nc3ccccc3[nH]2 207a_100009821084_100000185668 [0,2,0,0,0,0|2,0,0]=4 4257 B21R3.9705 OC[C@H]1CC[C@@H](CC1)NCc2nc3ccccc3[nH]2 270004a_100009821084_100000185668 [0,2,0,0,0,0|2,0,0]=4 4258 B21R3.9705 OC[C@H]1CC[C@@H](CC1)NCc2nc3ccccc3o2 34a_100009821084_200012361514 [0,2,0,0,0,0|1,1,0]=4 4259 B21R3.9705 OC[C@H]1CC[C@@H](CC1)NCc2nc3ccccc3s2 270004a_100009821084_100011204187 [0,2,0,0,0,0|1,0,0]=3 4260 B21R3.9705 OC[C@H]1CC[C@@H](CC1)NCc2nc3ccccc3s2 34a_100009821084_100011217541 [0,2,0,0,0,0|1,0,0]=3 4261 B21R3.198480 CC1(CCC(CC1)NCc2cc3ccccc3s2)C 207a_100000757809_100000686906 [0,2,0,0,0,0|2,0,0]=4 4262 B21R3.198480 CC1(CCC(CC1)NCc2cc3ccccc3s2)C 270004a_100000757809_100000686906 [0,2,0,0,0,0|2,0,0]=4 4263 B21R3.198480 CC1(CCC(CC1)NCc2cc3ccccc3s2)C 270004a_100015187092_100000061838 [0,2,0,0,0,0|2,0,0]=4 4264 B21R3.198480 CC1(CCC(CC1)NCc2cc3ccccc3s2)O 270004a_100015187092_100012184276 [0,2,0,0,0,0|2,0,0]=4 4265 B21R3.198480 CC1(CCC(CC1)NCc2nc3ccccc3[nH]2)C 207a_100000757809_100000185668 [0,2,0,0,0,0|2,0,0]=4 4266 B21R3.198480 CC1(CCC(CC1)NCc2nc3ccccc3[nH]2)C 2230a_100000757809_100000737899 [0,2,0,0,0,0|2,0,0]=4 4267 B21R3.198480 CC1(CCC(CC1)NCc2nc3ccccc3[nH]2)C 270004a_100000729406_100000061838 [0,2,0,0,0,0|2,0,0]=4 4268 B21R3.198480 CC1(CCC(CC1)NCc2nc3ccccc3[nH]2)C 270004a_100000757809_100000185668 [0,2,0,0,0,0|2,0,0]=4 4269 B21R3.198480 CC1(CCC(CC1)NCc2nc3ccccc3[nH]2)O 270004a_100000729406_100012184276 [0,2,0,0,0,0|2,0,0]=4 4270 B21R3.198480 CC1(CCC(CC1)NCc2nc3ccccc3o2)C 2230a_100000757809_100000195508 [0,2,0,0,0,0|1,1,0]=4 4271 B21R3.198480 CC1(CCC(CC1)NCc2nc3ccccc3o2)C 270004a_100000733820_100000061838 [0,2,0,0,0,0|1,1,0]=4 4272 B21R3.198480 CC1(CCC(CC1)NCc2nc3ccccc3o2)C 34a_100000757809_200012361514 [0,2,0,0,0,0|1,1,0]=4 4273 B21R3.198480 CC1(CCC(CC1)NCc2nc3ccccc3o2)O 270004a_100000733820_100012184276 [0,2,0,0,0,0|1,1,0]=4 4274 B21R3.198480 CC1(CCC(CC1)NCc2nc3ccccc3s2)C 2230a_100000757809_100000766747 [0,2,0,0,0,0|1,0,0]=3 4275 B21R3.198480 CC1(CCC(CC1)NCc2nc3ccccc3s2)C 270004a_100000757809_100011204187 [0,2,0,0,0,0|1,0,0]=3 4276 B21R3.198480 CC1(CCC(CC1)NCc2nc3ccccc3s2)C 34a_100000757809_100011217541 [0,2,0,0,0,0|1,0,0]=3 4277 B21R3.198480 CC1(CCC(CC1)OCc2nc3ccccc3s2)C 34a_100000703974_100011217541 [0,2,0,0,0,0|2,0,0]=4 4278 B21R3.198480 CC1(CCC(CC1)OCc2nc3ccccc3s2)C 7a_100000703974_100011217541 [0,2,0,0,0,0|2,0,0]=4 4279 B21R3.198480 C[C@@]1(CC[C@@H](CC1)NCc2cc3ccccc3s2)O 207a_202125554758_100000686906 [0,2,0,0,0,0|2,0,0]=4 4280 B21R3.198480 C[C@@]1(CC[C@@H](CC1)NCc2cc3ccccc3s2)O 270004a_202125554758_100000686906 [0,2,0,0,0,0|2,0,0]=4 4281 B21R3.198480 C[C@@]1(CC[C@@H](CC1)NCc2nc3ccccc3[nH]2)O 207a_202125554758_100000185668 [0,2,0,0,0,0|2,0,0]=4 4282 B21R3.198480 C[C@@]1(CC[C@@H](CC1)NCc2nc3ccccc3[nH]2)O 2230a_202125554758_100000737899 [0,2,0,0,0,0|2,0,0]=4 4283 B21R3.198480 C[C@@]1(CC[C@@H](CC1)NCc2nc3ccccc3[nH]2)O 270004a_202125554758_100000185668 [0,2,0,0,0,0|2,0,0]=4 4284 B21R3.198480 C[C@@]1(CC[C@@H](CC1)NCc2nc3ccccc3o2)O 2230a_202125554758_100000195508 [0,2,0,0,0,0|1,1,0]=4 4285 B21R3.198480 C[C@@]1(CC[C@@H](CC1)NCc2nc3ccccc3o2)O 34a_202125554758_200012361514 [0,2,0,0,0,0|1,1,0]=4 4286 B21R3.198480 C[C@@]1(CC[C@@H](CC1)NCc2nc3ccccc3s2)O 2230a_202125554758_100000766747 [0,2,0,0,0,0|1,0,0]=3 4287 B21R3.198480 C[C@@]1(CC[C@@H](CC1)NCc2nc3ccccc3s2)O 270004a_202125554758_100011204187 [0,2,0,0,0,0|1,0,0]=3 4288 B21R3.198480 C[C@@]1(CC[C@@H](CC1)NCc2nc3ccccc3s2)O 34a_202125554758_100011217541 [0,2,0,0,0,0|1,0,0]=3 4289 B21R3.198480 FC1(CCC(CC1)CNc2nc3ccccc3s2)F 27a_100016988479_100000751744 [0,2,0,0,0,0|2,0,0]=4 4290 B21R3.198480 FC1(CCC(CC1)CSc2nc3ccccc3[nH]2)F 62a_100012361406_100009814255 [0,2,0,0,0,0|2,0,0]=4 4291 B21R3.198480 FC1(CCC(CC1)CSc2nc3cccnc3s2)F 62a_100010188088_100012361406 [0,2,0,0,0,0|2,0,0]=4 4292 B21R3.198480 FC1(CCC(CC1)CSc2nc3cccnc3s2)F 62a_100012361406_100010188088 [0,2,0,0,0,0|2,0,0]=4 4293 B21R3.198480 FC1(CCC(CC1)NCc2cc3ccccc3s2)F 207a_100000694335_100000686906 [0,2,0,0,0,0|2,0,0]=4 4294 B21R3.198480 FC1(CCC(CC1)NCc2cc3ccccc3s2)F 270004a_100000694335_100000686906 [0,2,0,0,0,0|2,0,0]=4 4295 B21R3.198480 FC1(CCC(CC1)NCc2cc3ccccc3s2)F 270004a_100015187092_100000052966 [0,2,0,0,0,0|2,0,0]=4 4296 B21R3.198480 FC1(CCC(CC1)NCc2nc3ccccc3[nH]2)F 207a_100000694335_100000185668 [0,2,0,0,0,0|2,0,0]=4 4297 B21R3.198480 FC1(CCC(CC1)NCc2nc3ccccc3[nH]2)F 2230a_100000694335_100000737899 [0,2,0,0,0,0|2,0,0]=4 4298 B21R3.198480 FC1(CCC(CC1)NCc2nc3ccccc3[nH]2)F 270004a_100000694335_100000185668 [0,2,0,0,0,0|2,0,0]=4 4299 B21R3.198480 FC1(CCC(CC1)NCc2nc3ccccc3[nH]2)F 270004a_100000729406_100000052966 [0,2,0,0,0,0|2,0,0]=4 4300 B21R3.198480 FC1(CCC(CC1)NCc2nc3ccccc3o2)F 2230a_100000694335_100000195508 [0,2,0,0,0,0|1,1,0]=4 4301 B21R3.198480 FC1(CCC(CC1)NCc2nc3ccccc3o2)F 270004a_100000733820_100000052966 [0,2,0,0,0,0|1,1,0]=4 4302 B21R3.198480 FC1(CCC(CC1)NCc2nc3ccccc3o2)F 34a_100000694335_200012361514 [0,2,0,0,0,0|1,1,0]=4 4303 B21R3.198480 FC1(CCC(CC1)NCc2nc3ccccc3s2)F 2230a_100000694335_100000766747 [0,2,0,0,0,0|1,0,0]=3 4304 B21R3.198480 FC1(CCC(CC1)NCc2nc3ccccc3s2)F 270004a_100000694335_100011204187 [0,2,0,0,0,0|1,0,0]=3 4305 B21R3.198480 FC1(CCC(CC1)NCc2nc3ccccc3s2)F 34a_100000694335_100011217541 [0,2,0,0,0,0|1,0,0]=3 4306 B21R3.198480 FC1(CCC(CC1)OCc2nc3ccccc3s2)F 34a_100000098475_100011217541 [0,2,0,0,0,0|2,0,0]=4 4307 B21R3.198480 FC1(CCC(CC1)OCc2nc3ccccc3s2)F 7a_100000098475_100011217541 [0,2,0,0,0,0|2,0,0]=4 4308 B21R3.198480 O=S1(=O)CCC(CC1)NCc2nc3ccccc3s2 2230a_100000739226_100000766747 [0,2,0,0,0,0|2,0,0]=4 4309 B21R3.198480 O=S1(=O)CCC(CC1)NCc2nc3ccccc3s2 270004a_100000739226_100011204187 [0,2,0,0,0,0|2,0,0]=4 4310 B21R3.198480 O=S1(=O)CCC(CC1)NCc2nc3ccccc3s2 34a_100000739226_100011217541 [0,2,0,0,0,0|2,0,0]=4 4311 B21R3.655362 C[C@@]1(CC[C@@H](CC1)N)OCc2nc3ccccc3s2 34a_202125554758_100011217541 [0,2,0,0,0,0|2,0,0]=4 4312 B21R3.16819414 C#CC1(CCCCC1)NCc2cc3ccccc3s2 270004a_100132314160_100000686906 [0,2,0,0,0,0|2,0,0]=4 4313 B21R3.16819414 C#CC1(CCCCC1)NCc2nc3ccccc3[nH]2 2230a_100132314160_100000737899 [0,2,0,0,0,0|2,0,0]=4 4314 B21R3.16819414 C#CC1(CCCCC1)NCc2nc3ccccc3[nH]2 270004a_100132314160_100000185668 [0,2,0,0,0,0|2,0,0]=4 4315 B21R3.16819414 C#CC1(CCCCC1)NCc2nc3ccccc3o2 2230a_100132314160_100000195508 [0,2,0,0,0,0|1,1,0]=4 4316 B21R3.16819414 C#CC1(CCCCC1)NCc2nc3ccccc3o2 34a_100132314160_200012361514 [0,2,0,0,0,0|1,1,0]=4 4317 B21R3.16819414 C#CC1(CCCCC1)NCc2nc3ccccc3s2 2230a_100132314160_100000766747 [0,2,0,0,0,0|1,0,0]=3 4318 B21R3.16819414 C#CC1(CCCCC1)NCc2nc3ccccc3s2 270004a_100132314160_100011204187 [0,2,0,0,0,0|1,0,0]=3 4319 B21R3.16819414 C#CC1(CCCCC1)NCc2nc3ccccc3s2 34a_100132314160_100011217541 [0,2,0,0,0,0|1,0,0]=3 4320 B21R3.16819414 C#CC1(CCCCC1)OCc2nc3ccccc3s2 34a_100011215672_100011217541 [0,2,0,0,0,0|2,0,0]=4 4321 B21R3.16819414 C#CC1(CCCCC1)OCc2nc3ccccc3s2 7a_100011215672_100011217541 [0,2,0,0,0,0|2,0,0]=4 4322 B21R3.16819414 C=CC1(CCCCC1)OCc2nc3ccccc3s2 34a_200011934219_100011217541 [0,2,0,0,0,0|2,0,0]=4 4323 B21R3.16819414 C=CC1(CCCCC1)OCc2nc3ccccc3s2 7a_200011934219_100011217541 [0,2,0,0,0,0|2,0,0]=4 4324 B21R3.16819414 CCC1(CCCCC1)OCc2nc3ccccc3s2 34a_100011216009_100011217541 [0,2,0,0,0,0|2,0,0]=4 4325 B21R3.16819414 CCC1(CCCCC1)OCc2nc3ccccc3s2 7a_100011216009_100011217541 [0,2,0,0,0,0|2,0,0]=4 4326 B21R3.16819414 N#CC1(CCCCC1)CSc2nc3ccccc3[nH]2 62a_100011219015_100009814255 [0,2,0,0,0,0|2,0,0]=4 4327 B21R3.16819414 N#CC1(CCCCC1)CSc2nc3ccccc3s2 62a_100011219015_100000751744 [0,2,0,0,0,0|1,0,0]=3 4328 B21R3.16819414 N#CC1(CCCCC1)CSc2nc3cccnc3s2 62a_100010188088_100011219015 [0,2,0,0,0,0|2,0,0]=4 4329 B21R3.16819414 N#CC1(CCCCC1)CSc2nc3cccnc3s2 62a_100011219015_100010188088 [0,2,0,0,0,0|2,0,0]=4 4330 B21R3.16819414 N#CC1(CCCCC1)NCc2nc3ccccc3o2 34a_100000184641_200012361514 [0,2,0,0,0,0|1,1,0]=4 4331 B21R3.16819414 N#CC1(CCCCC1)NCc2nc3ccccc3s2 34a_100000184641_100011217541 [0,2,0,0,0,0|1,0,0]=3 4332 B21R3.16819414 N#CC1(CCOCC1)NCc2nc3ccccc3s2 2230a_100000754898_100000766747 [0,2,0,0,0,0|2,0,0]=4 4333 B21R3.16819414 N#CC1(CCOCC1)NCc2nc3ccccc3s2 270004a_100000754898_100011204187 [0,2,0,0,0,0|2,0,0]=4 4334 B21R3.16819414 N#CC1(CCOCC1)NCc2nc3ccccc3s2 34a_100000754898_100011217541 [0,2,0,0,0,0|2,0,0]=4 4335 B21R3.16819414 N#CC1(CCSCC1)NCc2nc3ccccc3s2 270004a_100000693394_100011204187 [0,2,0,0,0,0|2,0,0]=4 4336 B21R3.16819414 NCC1(CCCCC1)OCc2nc3ccccc3s2 34a_100000748649_100011217541 [0,2,0,0,0,0|2,0,0]=4 4337 B21R3.16819414 OCC1(CCCCC1)NCc2cc3ccccc3s2 207a_100000740034_100000686906 [0,2,0,0,0,0|2,0,0]=4 4338 B21R3.16819414 OCC1(CCCCC1)NCc2cc3ccccc3s2 270004a_100000740034_100000686906 [0,2,0,0,0,0|2,0,0]=4 4339 B21R3.16819414 OCC1(CCCCC1)NCc2nc3ccccc3[nH]2 207a_100000740034_100000185668 [0,2,0,0,0,0|2,0,0]=4 4340 B21R3.16819414 OCC1(CCCCC1)NCc2nc3ccccc3[nH]2 2230a_100000740034_100000737899 [0,2,0,0,0,0|2,0,0]=4 4341 B21R3.16819414 OCC1(CCCCC1)NCc2nc3ccccc3[nH]2 270004a_100000740034_100000185668 [0,2,0,0,0,0|2,0,0]=4 4342 B21R3.16819414 OCC1(CCCCC1)NCc2nc3ccccc3o2 2230a_100000740034_100000195508 [0,2,0,0,0,0|1,1,0]=4 4343 B21R3.16819414 OCC1(CCCCC1)NCc2nc3ccccc3o2 34a_100000740034_200012361514 [0,2,0,0,0,0|1,1,0]=4 4344 B21R3.16819414 OCC1(CCCCC1)NCc2nc3ccccc3s2 2230a_100000740034_100000766747 [0,2,0,0,0,0|1,0,0]=3 4345 B21R3.16819414 OCC1(CCCCC1)NCc2nc3ccccc3s2 270004a_100000740034_100011204187 [0,2,0,0,0,0|1,0,0]=3 4346 B21R3.16819414 OCC1(CCCCC1)NCc2nc3ccccc3s2 34a_100000740034_100011217541 [0,2,0,0,0,0|1,0,0]=3 4347 B21R3.16819414 OCC1(CCOCC1)NCc2nc3ccccc3s2 2230a_100000751404_100000766747 [0,2,0,0,0,0|2,0,0]=4 4348 B21R3.16819414 OCC1(CCOCC1)NCc2nc3ccccc3s2 270004a_100000751404_100011204187 [0,2,0,0,0,0|2,0,0]=4 4349 B21R3.16819414 OCC1(CCOCC1)NCc2nc3ccccc3s2 34a_100000751404_100011217541 [0,2,0,0,0,0|2,0,0]=4 4350 B19R3.17749 CC1CCC(N1Cc2nc3ccccc3[nH]2)C 2230a_100000687148_100000737899 [0,0,1,1,0,0|2,0,0]=4 4351 B19R3.17749 CC1CCC(N1Cc2nc3ccccc3[nH]2)C 269982a_100000687148_100000737899 [0,0,1,1,0,0|2,0,0]=4 4352 B19R3.17749 CC1CCC(N1Cc2nc3ccccc3o2)C 2230a_100000687148_100000195508 [0,0,1,1,0,0|1,1,0]=4 4353 B19R3.17749 CC1CCC(N1Cc2nc3ccccc3o2)C 34a_100000687148_200012361514 [0,0,1,1,0,0|1,1,0]=4 4354 B19R3.17749 CC1CCC(N1Cc2nc3ccccc3s2)C 2230a_100000687148_100000766747 [0,0,1,1,0,0|1,0,0]=3 4355 B19R3.17749 CC1CCC(N1Cc2nc3ccccc3s2)C 269982a_100000687148_100011217541 [0,0,1,1,0,0|1,0,0]=3 4356 B19R3.17749 CC1CCC(N1Cc2nc3ccccc3s2)C 34a_100000687148_100011217541 [0,0,1,1,0,0|1,0,0]=3 4357 B19R3.202284 CC(NCc1cc2ccccc2s1)C3CCC3 207a_100016994624_100000686906 [0,0,1,1,0,0|2,0,0]=4 4358 B19R3.202284 CC(NCc1cc2ccccc2s1)C3CCC3 269862a_100015187092_100000760154 [0,0,1,1,0,0|2,0,0]=4 4359 B19R3.202284 CC(NCc1cc2ccccc2s1)C3CCC3 270004a_100016994624_100000686906 [0,0,1,1,0,0|2,0,0]=4 4360 B19R3.202284 CC(NCc1nc2ccccc2[nH]1)C3CCC3 207a_100016994624_100000185668 [0,0,1,1,0,0|2,0,0]=4 4361 B19R3.202284 CC(NCc1nc2ccccc2[nH]1)C3CCC3 2230a_100016994624_100000737899 [0,0,1,1,0,0|2,0,0]=4 4362 B19R3.202284 CC(NCc1nc2ccccc2[nH]1)C3CCC3 270004a_100016994624_100000185668 [0,0,1,1,0,0|2,0,0]=4 4363 B19R3.202284 CC(NCc1nc2ccccc2o1)C3CCC3 2230a_100016994624_100000195508 [0,0,1,1,0,0|1,1,0]=4 4364 B19R3.202284 CC(NCc1nc2ccccc2o1)C3CCC3 34a_100016994624_200012361514 [0,0,1,1,0,0|1,1,0]=4 4365 B19R3.202284 CC(NCc1nc2ccccc2s1)C3CCC3 2230a_100016994624_100000766747 [0,0,1,1,0,0|1,0,0]=3 4366 B19R3.202284 CC(NCc1nc2ccccc2s1)C3CCC3 270004a_100016994624_100011204187 [0,0,1,1,0,0|1,0,0]=3 4367 B19R3.202284 CC(NCc1nc2ccccc2s1)C3CCC3 34a_100016994624_100011217541 [0,0,1,1,0,0|1,0,0]=3 4368 B19R3.202284 CC(OCc1nc2ccccc2s1)C3CCC3 34a_100000766398_100011217541 [0,0,1,1,0,0|2,0,0]=4 4369 B19R3.202284 CC(OCc1nc2ccccc2s1)C3CCC3 7a_100000766398_100011217541 [0,0,1,1,0,0|2,0,0]=4 4370 B19R3.202285 CC(CC1CC1)NCc2cc3ccccc3s2 270004a_100015187092_200000686933 [0,0,1,1,0,0|2,0,0]=4 4371 B19R3.202285 CC(CC1CC1)NCc2nc3ccccc3[nH]2 270004a_100000729406_200000686933 [0,0,1,1,0,0|2,0,0]=4 4372 B19R3.202285 CC(CC1CC1)NCc2nc3ccccc3o2 270004a_100000733820_200000686933 [0,0,1,1,0,0|1,1,0]=4 4373 B19R3.298247 CCN1CC(C1)NCc2nc3ccccc3s2 2230a_200015199589_100000766747 [0,0,1,1,0,0|2,0,0]=4 4374 B19R3.298247 CO[C@H]1C[C@@H](C1)NCc2nc3ccccc3s2 2230a_100121570643_100000766747 [0,0,1,1,0,0|2,0,0]=4 4375 B19R3.298247 CO[C@H]1C[C@@H](C1)NCc2nc3ccccc3s2 270004a_100121570643_100011204187 [0,0,1,1,0,0|2,0,0]=4 4376 B19R3.298247 OCC1CC(C1)NCc2nc3ccccc3s2 270004a_100000095622_100011204187 [0,0,1,1,0,0|2,0,0]=4 4377 B19R3.110084 COCC1CCN1Cc2nc3ccccc3s2 2230a_100015195929_100000766747 [0,0,1,1,0,0|2,0,0]=4 4378 B19R3.110084 COCC1CCN1Cc2nc3ccccc3s2 269982a_100015195929_100011217541 [0,0,1,1,0,0|2,0,0]=4 4379 B19R3.110084 COCC1CCN1Cc2nc3ccccc3s2 270004a_100015195929_100011204187 [0,0,1,1,0,0|2,0,0]=4 4380 B19R3.110084 COCC1CCN1Cc2nc3ccccc3s2 34a_100015195929_100011217541 [0,0,1,1,0,0|2,0,0]=4 4381 B19R3.209188 CCC(NCc1cc2ccccc2s1)C3CC3 207a_100025715781_100000686906 [0,0,1,1,0,0|2,0,0]=4 4382 B19R3.209188 CCC(NCc1cc2ccccc2s1)C3CC3 269862a_100015187092_100000759681 [0,0,1,1,0,0|2,0,0]=4 4383 B19R3.209188 CCC(NCc1cc2ccccc2s1)C3CC3 270004a_100025715781_100000686906 [0,0,1,1,0,0|2,0,0]=4 4384 B19R3.209188 CCC(NCc1nc2ccccc2[nH]1)C3CC3 207a_100025715781_100000185668 [0,0,1,1,0,0|2,0,0]=4 4385 B19R3.209188 CCC(NCc1nc2ccccc2[nH]1)C3CC3 2230a_100025715781_100000737899 [0,0,1,1,0,0|2,0,0]=4 4386 B19R3.209188 CCC(NCc1nc2ccccc2[nH]1)C3CC3 270004a_100025715781_100000185668 [0,0,1,1,0,0|2,0,0]=4 4387 B19R3.209188 CCC(NCc1nc2ccccc2o1)C3CC3 2230a_100025715781_100000195508 [0,0,1,1,0,0|1,1,0]=4 4388 B19R3.209188 CCC(NCc1nc2ccccc2o1)C3CC3 34a_100025715781_200012361514 [0,0,1,1,0,0|1,1,0]=4 4389 B19R3.209188 CCC(NCc1nc2ccccc2s1)C3CC3 2230a_100025715781_100000766747 [0,0,1,1,0,0|1,0,0]=3 4390 B19R3.209188 CCC(NCc1nc2ccccc2s1)C3CC3 270004a_100025715781_100011204187 [0,0,1,1,0,0|1,0,0]=3 4391 B19R3.209188 CCC(NCc1nc2ccccc2s1)C3CC3 34a_100025715781_100011217541 [0,0,1,1,0,0|1,0,0]=3 4392 B19R3.209188 CCC(OCc1nc2ccccc2s1)C3CC3 34a_100011351122_100011217541 [0,0,1,1,0,0|2,0,0]=4 4393 B19R3.209188 CCC(OCc1nc2ccccc2s1)C3CC3 7a_100011351122_100011217541 [0,0,1,1,0,0|2,0,0]=4 4394 B19R3.209188 OC[C@H](NCc1nc2ccccc2s1)C3CC3 2230a_100020623730_100000766747 [0,0,1,1,0,0|2,0,0]=4 4395 B19R3.209188 OC[C@H](NCc1nc2ccccc2s1)C3CC3 270004a_100020623730_100011204187 [0,0,1,1,0,0|2,0,0]=4 4396 B19R3.209188 OC[C@H](NCc1nc2ccccc2s1)C3CC3 34a_100020623730_100011217541 [0,0,1,1,0,0|2,0,0]=4 4397 B19R3.274609 CCC1CCCN1Cc2cc3ccccc3s2 270004a_100000754278_100000686906 [0,0,1,1,0,0|2,0,0]=4 4398 B19R3.274609 CCC1CCCN1Cc2nc3ccccc3[nH]2 2230a_100000754278_100000737899 [0,0,1,1,0,0|2,0,0]=4 4399 B19R3.274609 CCC1CCCN1Cc2nc3ccccc3[nH]2 269982a_100000754278_100000737899 [0,0,1,1,0,0|2,0,0]=4 4400 B19R3.274609 CCC1CCCN1Cc2nc3ccccc3[nH]2 270004a_100000754278_100000185668 [0,0,1,1,0,0|2,0,0]=4 4401 B19R3.274609 CCC1CCCN1Cc2nc3ccccc3o2 2230a_100000754278_100000195508 [0,0,1,1,0,0|1,1,0]=4 4402 B19R3.274609 CCC1CCCN1Cc2nc3ccccc3o2 34a_100000754278_200012361514 [0,0,1,1,0,0|1,1,0]=4 4403 B19R3.274609 CCC1CCCN1Cc2nc3ccccc3s2 2230a_100000754278_100000766747 [0,0,1,1,0,0|1,0,0]=3 4404 B19R3.274609 CCC1CCCN1Cc2nc3ccccc3s2 269982a_100000754278_100011217541 [0,0,1,1,0,0|1,0,0]=3 4405 B19R3.274609 CCC1CCCN1Cc2nc3ccccc3s2 270004a_100000754278_100011204187 [0,0,1,1,0,0|1,0,0]=3 4406 B19R3.274609 CCC1CCCN1Cc2nc3ccccc3s2 34a_100000754278_100011217541 [0,0,1,1,0,0|1,0,0]=3 4407 B19R3.274609 OC[C@H]1CCCN1Cc2nc3ccccc3s2 2230a_100000745186_100000766747 [0,0,1,1,0,0|2,0,0]=4 4408 B19R3.274609 OC[C@H]1CCCN1Cc2nc3ccccc3s2 269982a_100000745186_100011217541 [0,0,1,1,0,0|2,0,0]=4 4409 B19R3.274609 OC[C@H]1CCCN1Cc2nc3ccccc3s2 270004a_100000745186_100011204187 [0,0,1,1,0,0|2,0,0]=4 4410 B19R3.274609 OC[C@H]1CCCN1Cc2nc3ccccc3s2 34a_100000745186_100011217541 [0,0,1,1,0,0|2,0,0]=4 4411 B19R3.726854 CCCC1(CC1)NCc2cc3ccccc3s2 207a_100015185929_100000686906 [0,0,1,1,0,0|2,0,0]=4 4412 B19R3.726854 CCCC1(CC1)NCc2cc3ccccc3s2 270004a_100015185929_100000686906 [0,0,1,1,0,0|2,0,0]=4 4413 B19R3.726854 CCCC1(CC1)NCc2nc3ccccc3[nH]2 207a_100015185929_100000185668 [0,0,1,1,0,0|2,0,0]=4 4414 B19R3.726854 CCCC1(CC1)NCc2nc3ccccc3[nH]2 2230a_100015185929_100000737899 [0,0,1,1,0,0|2,0,0]=4 4415 B19R3.726854 CCCC1(CC1)NCc2nc3ccccc3[nH]2 270004a_100015185929_100000185668 [0,0,1,1,0,0|2,0,0]=4 4416 B19R3.726854 CCCC1(CC1)NCc2nc3ccccc3o2 2230a_100015185929_100000195508 [0,0,1,1,0,0|1,1,0]=4 4417 B19R3.726854 CCCC1(CC1)NCc2nc3ccccc3s2 2230a_100015185929_100000766747 [0,0,1,1,0,0|1,0,0]=3 4418 B19R3.726854 CCCC1(CC1)NCc2nc3ccccc3s2 270004a_100015185929_100011204187 [0,0,1,1,0,0|1,0,0]=3 4419 B19R3.5285980 CCC1(CCC1)CNc2nc3ccccc3s2 27a_100000685557_100000751744 [0,0,1,1,0,0|2,0,0]=4 4420 B19R3.5285980 CCC1(COC1)CSc2nc3ccccc3s2 62a_200009907690_100000751744 [0,0,1,1,0,0|2,0,0]=4 4421 B19R3.5285980 OCC1(CCC1)NCc2nc3ccccc3s2 2230a_100016993734_100000766747 [0,0,1,1,0,0|2,0,0]=4 4422 B19R3.5285980 OCC1(CCC1)NCc2nc3ccccc3s2 270004a_100016993734_100011204187 [0,0,1,1,0,0|2,0,0]=4 4423 B19R3.19192 C(#Cc1nc2ccccc2s1)CC3CCCC3 271570a_200010126907_100000751744 [0,0,1,1,0,0|2,0,0]=4 4424 B19R3.19192 C(=Cc1nc2ccccc2s1)CC3CCCC3 271570a_200000069456_100000751744 [0,0,1,1,0,0|2,0,0]=4 4425 B19R3.19192 c1ccc2[nH]c(nc2c1)CNCC3CCCC3 207a_100000737975_100000185668 [0,0,1,1,0,0|2,0,0]=4 4426 B19R3.19192 c1ccc2[nH]c(nc2c1)CNCC3CCCC3 2230a_100000737975_100000737899 [0,0,1,1,0,0|2,0,0]=4 4427 B19R3.19192 c1ccc2[nH]c(nc2c1)CNCC3CCCC3 270004a_100000737975_100000185668 [0,0,1,1,0,0|2,0,0]=4 4428 B19R3.19192 c1ccc2[nH]c(nc2c1)SCCC3CCCC3 62a_100000760354_100009814255 [0,0,1,1,0,0|2,0,0]=4 4429 B19R3.19192 c1ccc2oc(nc2c1)CNCC3CCCC3 2230a_100000737975_100000195508 [0,0,1,1,0,0|1,1,0]=4 4430 B19R3.19192 c1ccc2oc(nc2c1)CNCC3CCCC3 34a_100000737975_200012361514 [0,0,1,1,0,0|1,1,0]=4 4431 B19R3.19192 c1ccc2sc(cc2c1)CNCC3CCCC3 207a_100000737975_100000686906 [0,0,1,1,0,0|2,0,0]=4 4432 B19R3.19192 c1ccc2sc(cc2c1)CNCC3CCCC3 2230a_100015187092_100000740388 [0,0,1,1,0,0|2,0,0]=4 4433 B19R3.19192 c1ccc2sc(cc2c1)CNCC3CCCC3 269862a_100015187092_100000746403 [0,0,1,1,0,0|2,0,0]=4 4434 B19R3.19192 c1ccc2sc(cc2c1)CNCC3CCCC3 270004a_100000737975_100000686906 [0,0,1,1,0,0|2,0,0]=4 4435 B19R3.19192 c1ccc2sc(nc2c1)CNCC3CCCC3 2230a_100000737975_100000766747 [0,0,1,1,0,0|1,0,0]=3 4436 B19R3.19192 c1ccc2sc(nc2c1)CNCC3CCCC3 270004a_100000737975_100011204187 [0,0,1,1,0,0|1,0,0]=3 4437 B19R3.19192 c1ccc2sc(nc2c1)CNCC3CCCC3 34a_100000737975_100011217541 [0,0,1,1,0,0|1,0,0]=3 4438 B19R3.19192 c1ccc2sc(nc2c1)CNCC3CCOC3 2230a_100000737293_100000766747 [0,0,1,1,0,0|2,0,0]=4 4439 B19R3.19192 c1ccc2sc(nc2c1)CNCC3CCOC3 270004a_100000737293_100011204187 [0,0,1,1,0,0|2,0,0]=4 4440 B19R3.19192 c1ccc2sc(nc2c1)CNCC3CCOC3 34a_100000737293_100011217541 [0,0,1,1,0,0|2,0,0]=4 4441 B19R3.19192 c1ccc2sc(nc2c1)CNC[C@@H]3CCCO3 2230a_100020590478_100000766747 [0,0,1,1,0,0|2,0,0]=4 4442 B19R3.19192 c1ccc2sc(nc2c1)CNC[C@@H]3CCCO3 270004a_100020590478_100011204187 [0,0,1,1,0,0|2,0,0]=4 4443 B19R3.19192 c1ccc2sc(nc2c1)CNC[C@@H]3CCCO3 34a_100020590478_100011217541 [0,0,1,1,0,0|2,0,0]=4 4444 B19R3.19192 c1ccc2sc(nc2c1)COCC3CCCC3 34a_100000742336_100011217541 [0,0,1,1,0,0|2,0,0]=4 4445 B19R3.19192 c1ccc2sc(nc2c1)COCC3CCCC3 7a_100000742336_100011217541 [0,0,1,1,0,0|2,0,0]=4 4446 B19R3.19192 c1ccc2sc(nc2c1)CSCC3CCCC3 62a_100000740388_100000766747 [0,0,1,1,0,0|2,0,0]=4 4447 B19R3.19192 c1ccc2sc(nc2c1)CSCC3CCCC3 62a_100011217541_100000740388 [0,0,1,1,0,0|2,0,0]=4 4448 B19R3.19192 c1ccc2sc(nc2c1)NCCC3CCCC3 27a_100000739158_100000751744 [0,0,1,1,0,0|2,0,0]=4 4449 B19R3.19192 c1ccc2sc(nc2c1)SCCC3CCCC3 62a_100000760354_100000751744 [0,0,1,1,0,0|1,0,0]=3 4450 B19R3.19192 c1ccc2sc(nc2c1)SCCN3CCCC3 62a_100000700749_100000751744 [0,0,1,1,0,0|2,0,0]=4 4451 B19R3.19192 c1cnc2sc(nc2c1)SCCC3CCCC3 62a_100000760354_100010188088 [0,0,1,1,0,0|2,0,0]=4 4452 B19R3.19192 c1cnc2sc(nc2c1)SCCC3CCCC3 62a_100010188088_100000760354 [0,0,1,1,0,0|2,0,0]=4 4453 B19R3.28220 CCC1CCCCN1c2nc3ccccc3s2 27a_100000210034_100000751744 [0,0,1,1,0,0|2,0,0]=4 4454 B19R3.1671973 c1ccc2[nH]c(nc2c1)CN3CCCCCC3 2230a_100000185865_100000737899 [0,0,1,1,0,0|2,0,0]=4 4455 B19R3.1671973 c1ccc2[nH]c(nc2c1)CN3CCCCCC3 269982a_100000185865_100000737899 [0,0,1,1,0,0|2,0,0]=4 4456 B19R3.1671973 c1ccc2[nH]c(nc2c1)CN3CCCCCC3 270004a_100000185865_100000185668 [0,0,1,1,0,0|2,0,0]=4 4457 B19R3.1671973 c1ccc2[nH]c(nc2c1)SC3CCCCCC3 62a_100011217769_100009814255 [0,0,1,1,0,0|2,0,0]=4 4458 B19R3.1671973 c1ccc2oc(nc2c1)CN3CCCCCC3 2230a_100000185865_100000195508 [0,0,1,1,0,0|1,1,0]=4 4459 B19R3.1671973 c1ccc2oc(nc2c1)CN3CCCCCC3 34a_100000185865_200012361514 [0,0,1,1,0,0|1,1,0]=4 4460 B19R3.1671973 c1ccc2sc(cc2c1)CN3CCCCCC3 270004a_100000185865_100000686906 [0,0,1,1,0,0|2,0,0]=4 4461 B19R3.1671973 c1ccc2sc(nc2c1)CN3CCCCCC3 2230a_100000185865_100000766747 [0,0,1,1,0,0|1,0,0]=3 4462 B19R3.1671973 c1ccc2sc(nc2c1)CN3CCCCCC3 269982a_100000185865_100011217541 [0,0,1,1,0,0|1,0,0]=3 4463 B19R3.1671973 c1ccc2sc(nc2c1)CN3CCCCCC3 270004a_100000185865_100011204187 [0,0,1,1,0,0|1,0,0]=3 4464 B19R3.1671973 c1ccc2sc(nc2c1)CN3CCCCCC3 34a_100000185865_100011217541 [0,0,1,1,0,0|1,0,0]=3 4465 B19R3.1671973 c1ccc2sc(nc2c1)CN3CCCOCC3 2230a_100000685342_100000766747 [0,0,1,1,0,0|2,0,0]=4 4466 B19R3.1671973 c1ccc2sc(nc2c1)CN3CCCOCC3 269982a_100000685342_100011217541 [0,0,1,1,0,0|2,0,0]=4 4467 B19R3.1671973 c1ccc2sc(nc2c1)CN3CCCOCC3 270004a_100000685342_100011204187 [0,0,1,1,0,0|2,0,0]=4 4468 B19R3.1671973 c1ccc2sc(nc2c1)CN3CCCOCC3 34a_100000685342_100011217541 [0,0,1,1,0,0|2,0,0]=4 4469 B19R3.1671973 c1ccc2sc(nc2c1)NC3CCCCCC3 27a_100000210984_100000751744 [0,0,1,1,0,0|2,0,0]=4 4470 B19R3.1671973 c1cnc2sc(nc2c1)SC3CCCCCC3 62a_100010188088_100011217769 [0,0,1,1,0,0|2,0,0]=4 4471 B19R3.1671973 c1cnc2sc(nc2c1)SC3CCCCCC3 62a_100011217769_100010188088 [0,0,1,1,0,0|2,0,0]=4 4472 B19R3.1672506 c1ccc2sc(nc2c1)N3CCCCCCC3 27a_100000211400_100000751744 [0,0,1,1,0,0|2,0,0]=4 4473 B19R3.2370 c1ccn2c(ncc2c1)CNC3CCCCC3 207a_100000182618_100000069005 [0,0,1,1,0,0|2,0,0]=4 4474 B19R3.2370 c1ccn2c(ncc2c1)CNC3CCCCC3 270004a_100000182618_100000069005 [0,0,1,1,0,0|2,0,0]=4 4475 B19R4.3060440 c1ccc2sc(nc2c1)N3CC4CCC3C4 27a_100000743476_100000751744 [0,0,0,1,1,0|2,0,0]=4 4476 B19R4.1377847 c1ccc2sc(nc2c1)CN3CC4CC4C3 2230a_100000741873_100000766747 [0,0,0,1,1,0|2,0,0]=4 4477 B19R4.1377847 c1ccc2sc(nc2c1)CN3CC4CC4C3 269982a_100000741873_100011217541 [0,0,0,1,1,0|2,0,0]=4 4478 B19R4.1377847 c1ccc2sc(nc2c1)CN3CC4CC4C3 270004a_100000741873_100011204187 [0,0,0,1,1,0|2,0,0]=4 4479 B19R4.1377847 c1ccc2sc(nc2c1)CN3CC4CC4C3 34a_100000741873_100011217541 [0,0,0,1,1,0|2,0,0]=4 4480 B19R4.3861592 c1ccc2[nH]c(nc2c1)N3C4CCC3CC4 27a_100000735658_100009814255 [0,0,0,1,1,0|1,0,0]=3 4481 B19R4.3861592 c1ccc2sc(nc2c1)N3C4CCC3CC4 27a_100000735658_100000751744 [0,0,0,1,1,0|0,0,0]=2 4482 B19R4.3861592 c1cnc2sc(nc2c1)N3C4CCC3CC4 27a_100000735658_100010188088 [0,0,0,1,1,0|1,0,0]=3 4483 B21R4.2259372 c1ccc2ncc(cc2c1)CNC3CC4CC4C3 270004a_100000742225_100010340937 [0,0,0,1,0,1|2,0,0]=4 4484 B21R4.14522055 c1ccc2cc(ncc2c1)CN3C4CCC3CC4 2230a_100000735658_100009869231 [0,0,0,1,0,1|2,0,0]=4 4485 B21R4.14522055 c1ccc2cc(ncc2c1)CN3C4CCC3CC4 269982a_100000735658_100009869231 [0,0,0,1,0,1|2,0,0]=4 4486 B21R4.14522055 c1ccc2cc(ncc2c1)CN3C4CCC3CC4 270004a_100000735658_100000059776 [0,0,0,1,0,1|2,0,0]=4 4487 B21R4.14522055 c1ccc2cc(ncc2c1)CN3C4CCC3CC4 34a_100000735658_100009869231 [0,0,0,1,0,1|2,0,0]=4 4488 B21R4.14522055 c1ccc2cc(ncc2c1)SC3C4CCC3CC4 62a_100009813300_100000047361 [0,0,0,1,0,1|2,0,0]=4 4489 B21R4.14522055 c1ccc2cc(ncc2c1)SC3C4CCC3CC4 62a_100009816522_100009813300 [0,0,0,1,0,1|2,0,0]=4 4490 B21R4.14522055 c1ccc2nc(ccc2c1)CN3C4CCC3CC4 2230a_100000735658_100000737579 [0,0,0,1,0,1|2,0,0]=4 4491 B21R4.14522055 c1ccc2nc(ccc2c1)CN3C4CCC3CC4 270004a_100000735658_100000759686 [0,0,0,1,0,1|2,0,0]=4 4492 B21R4.14522055 c1ccc2nc(ccc2c1)CN3C4CCC3CC4 34a_100000735658_100000737579 [0,0,0,1,0,1|2,0,0]=4 4493 B21R4.14522055 c1ccc2nc(ccc2c1)SC3C4CCC3CC4 62a_100009813300_100011291633 [0,0,0,1,0,1|2,0,0]=4 4494 B21R4.14522055 c1ccc2nc(ccc2c1)SC3C4CCC3CC4 62a_100011291633_100009813300 [0,0,0,1,0,1|2,0,0]=4 4495 B21R4.14522055 c1ccc2nc(cnc2c1)CN3C4CCC3CC4 270004a_100000735658_100000204677 [0,0,0,1,0,1|2,0,0]=4 4496 B21R4.14522055 c1ccc2nc(cnc2c1)SC3C4CCC3CC4 62a_100000756483_100009813300 [0,0,0,1,0,1|2,0,0]=4 4497 B21R4.14522055 c1ccc2nc(cnc2c1)SC3C4CCC3CC4 62a_100009813300_100000756483 [0,0,0,1,0,1|2,0,0]=4 4498 B21R4.14522055 c1ccc2nc(ncc2c1)CN3C4CCC3CC4 34a_100000735658_100009868571 [0,0,0,1,0,1|2,0,0]=4 4499 B21R4.14522055 c1ccc2nc(ncc2c1)SC3C4CCC3CC4 62a_100009813300_100000097389 [0,0,0,1,0,1|2,0,0]=4 4500 B21R4.14522055 c1ccc2ncc(cc2c1)CN3C4CCC3CC4 270004a_100000735658_100000750898 [0,0,0,1,0,1|2,0,0]=4 4501 B21R4.14522055 c1ccc2ncc(cc2c1)SC3C4CCC3CC4 62a_100009813300_100000737414 [0,0,0,1,0,1|2,0,0]=4 4502 B21R4.14522065 c1ccc2ncc(cc2c1)CNC3CCC4C3C4 269862a_100000742225_100000692480 [0,0,0,1,0,1|2,0,0]=4 4503 B21R4.14522065 c1ccc2ncc(cc2c1)CNC3CCC4C3C4 270004a_100000742225_100000692480 [0,0,0,1,0,1|2,0,0]=4 4504 B21R4.2261458 c1ccc2[nH]c(nc2c1)CCNC3CC4CC4C3 270004a_100015184290_100010340937 [0,0,0,1,0,1|2,0,0]=4 4505 B21R4.2261458 c1ccc2sc(nc2c1)CCNC3CC4CC4C3 270004a_200000203819_100010340937 [0,0,0,1,0,1|1,0,0]=3 4506 B21R4.11089325 c1ccc2[nH]c(nc2c1)CCN3C4CCC3CC4 269982a_100000735658_100015206048 [0,0,0,1,0,1|2,0,0]=4 4507 B21R4.11089325 c1ccc2[nH]c(nc2c1)CSC3C4CCC3CC4 62a_100009813300_100000737899 [0,0,0,1,0,1|2,0,0]=4 4508 B21R4.11089325 c1ccc2oc(nc2c1)CSC3C4CCC3CC4 62a_100009813300_100000195508 [0,0,0,1,0,1|1,1,0]=4 4509 B21R4.11089325 c1ccc2sc(nc2c1)CSC3C4CCC3CC4 62a_100009813300_100000766747 [0,0,0,1,0,1|1,0,0]=3 4510 B21R4.11089325 c1ccc2sc(nc2c1)CSC3C4CCC3CC4 62a_100011217541_100009813300 [0,0,0,1,0,1|1,0,0]=3 4511 B21R4.14529191 c1ccc2[nH]c(nc2c1)CN3CC4CCC3CC4 2230a_100000750499_100000737899 [0,0,0,1,0,1|2,0,0]=4 4512 B21R4.14529191 c1ccc2[nH]c(nc2c1)CN3CC4CCC3CC4 269982a_100000750499_100000737899 [0,0,0,1,0,1|2,0,0]=4 4513 B21R4.14529191 c1ccc2[nH]c(nc2c1)CN3CC4CCC3CC4 270004a_100000750499_100000185668 [0,0,0,1,0,1|2,0,0]=4 4514 B21R4.14529191 c1ccc2oc(nc2c1)CN3CC4CCC3CC4 2230a_100000750499_100000195508 [0,0,0,1,0,1|1,1,0]=4 4515 B21R4.14529191 c1ccc2oc(nc2c1)CN3CC4CCC3CC4 34a_100000750499_200012361514 [0,0,0,1,0,1|1,1,0]=4 4516 B21R4.14529191 c1ccc2sc(cc2c1)CN3CC4CCC3CC4 270004a_100000750499_100000686906 [0,0,0,1,0,1|2,0,0]=4 4517 B21R4.14529191 c1ccc2sc(nc2c1)CN3CC4CCC3CC4 2230a_100000750499_100000766747 [0,0,0,1,0,1|1,0,0]=3 4518 B21R4.14529191 c1ccc2sc(nc2c1)CN3CC4CCC3CC4 269982a_100000750499_100011217541 [0,0,0,1,0,1|1,0,0]=3 4519 B21R4.14529191 c1ccc2sc(nc2c1)CN3CC4CCC3CC4 270004a_100000750499_100011204187 [0,0,0,1,0,1|1,0,0]=3 4520 B21R4.14529191 c1ccc2sc(nc2c1)CN3CC4CCC3CC4 34a_100000750499_100011217541 [0,0,0,1,0,1|1,0,0]=3 4521 B21R4.14529208 c1ccc2[nH]c(nc2c1)CCNC3CCC4C3C4 269862a_100015184290_100000692480 [0,0,0,1,0,1|2,0,0]=4 4522 B21R4.14529208 c1ccc2[nH]c(nc2c1)CCNC3CCC4C3C4 270004a_100015184290_100000692480 [0,0,0,1,0,1|2,0,0]=4 4523 B21R4.14529208 c1ccc2sc(nc2c1)CCNC3CCC4C3C4 269862a_200000203819_100000692480 [0,0,0,1,0,1|1,0,0]=3 4524 B21R4.14529208 c1ccc2sc(nc2c1)CCNC3CCC4C3C4 270004a_200000203819_100000692480 [0,0,0,1,0,1|1,0,0]=3 4525 B21R4.14529190 c1ccc2[nH]c(nc2c1)CN3C4CCC3COC4 2230a_100015205251_100000737899 [0,0,0,1,0,1|2,0,0]=4 4526 B21R4.14529190 c1ccc2[nH]c(nc2c1)CN3C4CCC3COC4 269982a_100015205251_100000737899 [0,0,0,1,0,1|2,0,0]=4 4527 B21R4.14529190 c1ccc2[nH]c(nc2c1)CN3C4CCC3COC4 270004a_100015205251_100000185668 [0,0,0,1,0,1|2,0,0]=4 4528 B21R4.14529190 c1ccc2oc(nc2c1)CN3C4CCC3COC4 2230a_100015205251_100000195508 [0,0,0,1,0,1|1,1,0]=4 4529 B21R4.14529190 c1ccc2oc(nc2c1)CN3C4CCC3COC4 34a_100015205251_200012361514 [0,0,0,1,0,1|1,1,0]=4 4530 B21R4.14529190 c1ccc2sc(cc2c1)CN3C4CCC3COC4 270004a_100015205251_100000686906 [0,0,0,1,0,1|2,0,0]=4 4531 B21R4.14529190 c1ccc2sc(nc2c1)CN3C4CCC3COC4 2230a_100015205251_100000766747 [0,0,0,1,0,1|1,0,0]=3 4532 B21R4.14529190 c1ccc2sc(nc2c1)CN3C4CCC3COC4 269982a_100015205251_100011217541 [0,0,0,1,0,1|1,0,0]=3 4533 B21R4.14529190 c1ccc2sc(nc2c1)CN3C4CCC3COC4 270004a_100015205251_100011204187 [0,0,0,1,0,1|1,0,0]=3 4534 B21R4.14529190 c1ccc2sc(nc2c1)CN3C4CCC3COC4 34a_100015205251_100011217541 [0,0,0,1,0,1|1,0,0]=3 4535 B21R4.14529205 c1ccc2sc(cc2c1)CNC3CCCC4C3C4 269862a_100015187092_100000697651 [0,0,0,1,0,1|2,0,0]=4 4536 B21R4.308468 Clc1c(sc2c1cccc2)CNC3CC4CC4C3 270004a_200015185765_100010340937 [0,1,0,1,0,0|2,0,0]=4 4537 B21R4.308468 Cn1c(nc2c1cccc2)CNC3CC4CC4C3 270004a_100000700934_100010340937 [0,1,0,1,0,0|2,0,0]=4 4538 B21R4.308762 Cc1c(sc2c1cccc2)CN3C4CCC3CC4 270004a_100000735658_100000038699 [0,1,0,1,0,0|2,0,0]=4 4539 B21R4.308762 Clc1c(sc2c1cccc2)CN3C4CCC3CC4 2230a_100000735658_100000021718 [0,1,0,1,0,0|2,0,0]=4 4540 B21R4.308762 Clc1c(sc2c1cccc2)CN3C4CCC3CC4 269982a_100000735658_100000021718 [0,1,0,1,0,0|2,0,0]=4 4541 B21R4.308762 Clc1c(sc2c1cccc2)CN3C4CCC3CC4 270004a_100000735658_100000017830 [0,1,0,1,0,0|2,0,0]=4 4542 B21R4.308762 Clc1c(sc2c1cccc2)CN3C4CCC3CC4 34a_100000735658_100000021718 [0,1,0,1,0,0|2,0,0]=4 4543 B21R4.308762 Cn1c(nc2c1cccc2)CN3C4CCC3CC4 2230a_100000735658_100000748711 [0,1,0,1,0,0|2,0,0]=4 4544 B21R4.308762 Cn1c(nc2c1cccc2)CN3C4CCC3CC4 269982a_100000735658_100000748711 [0,1,0,1,0,0|2,0,0]=4 4545 B21R4.308762 Cn1c(nc2c1cccc2)CN3C4CCC3CC4 270004a_100000735658_100000188960 [0,1,0,1,0,0|2,0,0]=4 4546 B21R4.308762 Cn1c(nc2c1cccc2)CN3C4CCC3CC4 34a_100000735658_100000748711 [0,1,0,1,0,0|2,0,0]=4 4547 B21R4.308762 Cn1c(nc2c1cccc2)SC3C4CCC3CC4 62a_100009813300_200000239431 [0,1,0,1,0,0|2,0,0]=4 4548 B21R4.308762 Cn1c(nc2c1cccc2)SC3C4CCC3CC4 62a_200000239431_100009813300 [0,1,0,1,0,0|2,0,0]=4 4549 B21R4.309345 Clc1c(sc2c1cccc2)CNC3CCC4C3C4 269862a_200015185765_100000692480 [0,1,0,1,0,0|2,0,0]=4 4550 B21R4.309345 Clc1c(sc2c1cccc2)CNC3CCC4C3C4 270004a_200015185765_100000692480 [0,1,0,1,0,0|2,0,0]=4 4551 B21R4.309345 Cn1c(nc2c1cccc2)CNC3CCC4C3C4 269862a_100000700934_100000692480 [0,1,0,1,0,0|2,0,0]=4 4552 B21R4.309345 Cn1c(nc2c1cccc2)CNC3CCC4C3C4 270004a_100000700934_100000692480 [0,1,0,1,0,0|2,0,0]=4 4553 B21R4.629568 CN(Cc1cc2ccccc2s1)C3CC4CC4C3 270004a_100015183267_100010340937 [0,1,0,1,0,0|2,0,0]=4 4554 B21R4.629568 CN(Cc1nc2ccccc2[nH]1)C3CC4CC4C3 270004a_100000736437_100010340937 [0,1,0,1,0,0|2,0,0]=4 4555 B21R4.629568 CN(Cc1nc2ccccc2s1)C3CC4CC4C3 270004a_100000204650_100010340937 [0,1,0,1,0,0|1,0,0]=3 4556 B21R4.50839301 CN(Cc1cc2ccccc2s1)C3CCC4C3C4 270004a_100015183267_100000692480 [0,1,0,1,0,0|2,0,0]=4 4557 B21R4.50839301 CN(Cc1nc2ccccc2[nH]1)C3CCC4C3C4 270004a_100000736437_100000692480 [0,1,0,1,0,0|2,0,0]=4 4558 B21R4.50839301 CN(Cc1nc2ccccc2s1)C3CCC4C3C4 270004a_100000204650_100000692480 [0,1,0,1,0,0|1,0,0]=3 4559 B21R4.14529209 c1ccc2[nH]c(nc2c1)CNC3CC4CCC3C4 2230a_100000758229_100000737899 [0,1,0,1,0,0|2,0,0]=4 4560 B21R4.14529209 c1ccc2[nH]c(nc2c1)CNC3CC4CCC3C4 270004a_100000729406_100000223372 [0,1,0,1,0,0|2,0,0]=4 4561 B21R4.14529209 c1ccc2[nH]c(nc2c1)CNC3CC4CCC3C4 270004a_100000758229_100000185668 [0,1,0,1,0,0|2,0,0]=4 4562 B21R4.14529209 c1ccc2oc(nc2c1)CNC3CC4CCC3C4 2230a_100000758229_100000195508 [0,1,0,1,0,0|1,1,0]=4 4563 B21R4.14529209 c1ccc2oc(nc2c1)CNC3CC4CCC3C4 270004a_100000733820_100000223372 [0,1,0,1,0,0|1,1,0]=4 4564 B21R4.14529209 c1ccc2oc(nc2c1)CNC3CC4CCC3C4 34a_100000758229_200012361514 [0,1,0,1,0,0|1,1,0]=4 4565 B21R4.14529209 c1ccc2sc(cc2c1)CNC3CC4CCC3C4 269862a_100015187092_100000223372 [0,1,0,1,0,0|2,0,0]=4 4566 B21R4.14529209 c1ccc2sc(cc2c1)CNC3CC4CCC3C4 270004a_100000758229_100000686906 [0,1,0,1,0,0|2,0,0]=4 4567 B21R4.14529209 c1ccc2sc(cc2c1)CNC3CC4CCC3C4 270004a_100015187092_100000223372 [0,1,0,1,0,0|2,0,0]=4 4568 B21R4.14529209 c1ccc2sc(nc2c1)CNC3CC4CCC3C4 2230a_100000758229_100000766747 [0,1,0,1,0,0|1,0,0]=3 4569 B21R4.14529209 c1ccc2sc(nc2c1)CNC3CC4CCC3C4 270004a_100000758229_100011204187 [0,1,0,1,0,0|1,0,0]=3 4570 B21R4.14529209 c1ccc2sc(nc2c1)CNC3CC4CCC3C4 34a_100000758229_100011217541 [0,1,0,1,0,0|1,0,0]=3 4571 B21R4.14529209 c1ccc2sc(nc2c1)COC3CC4CCC3C4 34a_100000211339_100011217541 [0,1,0,1,0,0|2,0,0]=4 4572 B21R4.14529209 c1ccc2sc(nc2c1)CSC3CC4CCC3C4 62a_100000727232_100000766747 [0,1,0,1,0,0|2,0,0]=4 4573 B21R4.14529209 c1ccc2sc(nc2c1)CSC3CC4CCC3C4 62a_100011217541_100000727232 [0,1,0,1,0,0|2,0,0]=4 4574 B21R4.3345700 Cc1ccc2[nH]c(nc2c1)CNC3CC4CC4C3 270004a_100000754707_100010340937 [0,1,0,1,0,0|2,0,0]=4 4575 B21R4.22831084 Brc1ccc2[nH]c(nc2c1)CN3C4CCC3CC4 2230a_100000735658_100000701424 [0,1,0,1,0,0|2,0,0]=4 4576 B21R4.22831084 Brc1ccc2[nH]c(nc2c1)CN3C4CCC3CC4 269982a_100000735658_100000701424 [0,1,0,1,0,0|2,0,0]=4 4577 B21R4.22831084 Brc1ccc2[nH]c(nc2c1)CN3C4CCC3CC4 34a_100000735658_100000701424 [0,1,0,1,0,0|2,0,0]=4 4578 B21R4.22831084 Brc1ccc2cc(sc2c1)CN3C4CCC3CC4 270004a_100000735658_100009814784 [0,1,0,1,0,0|2,0,0]=4 4579 B21R4.22831084 Brc1ccc2nc([nH]c2c1)CN3C4CCC3CC4 270004a_100000735658_200011361486 [0,1,0,1,0,0|2,0,0]=4 4580 B21R4.22831084 Brc1ccc2nc(oc2c1)CN3C4CCC3CC4 2230a_100000735658_100000729449 [0,1,0,1,0,0|1,1,0]=4 4581 B21R4.22831084 Brc1ccc2nc(oc2c1)CN3C4CCC3CC4 34a_100000735658_100000729449 [0,1,0,1,0,0|1,1,0]=4 4582 B21R4.22831084 Brc1ccc2oc(nc2c1)CN3C4CCC3CC4 2230a_100000735658_100000730559 [0,1,0,1,0,0|1,1,0]=4 4583 B21R4.22831084 Brc1ccc2oc(nc2c1)CN3C4CCC3CC4 34a_100000735658_100000730559 [0,1,0,1,0,0|1,1,0]=4 4584 B21R4.22831084 Brc1ccc2sc(cc2c1)CN3C4CCC3CC4 270004a_100000735658_100010238522 [0,1,0,1,0,0|2,0,0]=4 4585 B21R4.22831084 Cc1ccc2nc([nH]c2c1)CN3C4CCC3CC4 2230a_100000735658_100020603265 [0,1,0,1,0,0|2,0,0]=4 4586 B21R4.22831084 Cc1ccc2nc([nH]c2c1)CN3C4CCC3CC4 269982a_100000735658_100020603265 [0,1,0,1,0,0|2,0,0]=4 4587 B21R4.22831084 Cc1ccc2nc([nH]c2c1)CN3C4CCC3CC4 34a_100000735658_100020603265 [0,1,0,1,0,0|2,0,0]=4 4588 B21R4.22831084 Cc1ccc2nc(oc2c1)CN3C4CCC3CC4 2230a_100000735658_100011295139 [0,1,0,1,0,0|1,1,0]=4 4589 B21R4.22831084 Cc1ccc2nc(oc2c1)CN3C4CCC3CC4 269982a_100000735658_100011295139 [0,1,0,1,0,0|1,1,0]=4 4590 B21R4.22831084 Cc1ccc2nc(oc2c1)CN3C4CCC3CC4 34a_100000735658_100011295139 [0,1,0,1,0,0|1,1,0]=4 4591 B21R4.22831084 Cc1ccc2nc(sc2c1)SC3C4CCC3CC4 62a_100009813300_100010186437 [0,1,0,1,0,0|1,0,0]=3 4592 B21R4.22831084 Cc1ccc2oc(nc2c1)CN3C4CCC3CC4 2230a_100000735658_100011374149 [0,1,0,1,0,0|1,1,0]=4 4593 B21R4.22831084 Cc1ccc2oc(nc2c1)CN3C4CCC3CC4 269982a_100000735658_100011374149 [0,1,0,1,0,0|1,1,0]=4 4594 B21R4.22831084 Cc1ccc2oc(nc2c1)CN3C4CCC3CC4 34a_100000735658_100011374149 [0,1,0,1,0,0|1,1,0]=4 4595 B21R4.22831084 Cc1ccc2sc(cc2c1)CN3C4CCC3CC4 270004a_100000735658_100000050833 [0,1,0,1,0,0|2,0,0]=4 4596 B21R4.22831084 Clc1ccc2[nH]c(nc2c1)CN3C4CCC3CC4 2230a_100000735658_100000179801 [0,1,0,1,0,0|2,0,0]=4 4597 B21R4.22831084 Clc1ccc2[nH]c(nc2c1)CN3C4CCC3CC4 269982a_100000735658_100000179801 [0,1,0,1,0,0|2,0,0]=4 4598 B21R4.22831084 Clc1ccc2oc(nc2c1)CN3C4CCC3CC4 2230a_100000735658_100011222916 [0,1,0,1,0,0|1,1,0]=4 4599 B21R4.22831084 Clc1ccc2oc(nc2c1)CN3C4CCC3CC4 269982a_100000735658_100011222916 [0,1,0,1,0,0|1,1,0]=4 4600 B21R4.22831084 Clc1ccc2sc(cc2c1)CN3C4CCC3CC4 270004a_100000735658_200000119088 [0,1,0,1,0,0|2,0,0]=4 4601 B21R4.22831084 Fc1ccc2[nH]c(nc2c1)CN3C4CCC3CC4 270004a_100000735658_200011915233 [0,1,0,1,0,0|2,0,0]=4 4602 B21R4.22831084 Fc1ccc2nc([nH]c2c1)CN3C4CCC3CC4 2230a_100000735658_200011347187 [0,1,0,1,0,0|2,0,0]=4 4603 B21R4.22831084 Fc1ccc2nc([nH]c2c1)CN3C4CCC3CC4 269982a_100000735658_200011347187 [0,1,0,1,0,0|2,0,0]=4 4604 B21R4.22831084 Fc1ccc2nc(oc2c1)CN3C4CCC3CC4 2230a_100000735658_100000687025 [0,1,0,1,0,0|1,1,0]=4 4605 B21R4.22831084 Fc1ccc2nc(oc2c1)CN3C4CCC3CC4 269982a_100000735658_100000687025 [0,1,0,1,0,0|1,1,0]=4 4606 B21R4.22831084 Fc1ccc2nc(oc2c1)CN3C4CCC3CC4 34a_100000735658_100000687025 [0,1,0,1,0,0|1,1,0]=4 4607 B21R4.22831084 Fc1ccc2nc(sc2c1)SC3C4CCC3CC4 62a_100000751617_100009813300 [0,1,0,1,0,0|1,0,0]=3 4608 B21R4.22831084 Fc1ccc2nc(sc2c1)SC3C4CCC3CC4 62a_100009813300_100000751617 [0,1,0,1,0,0|1,0,0]=3 4609 B21R4.22831084 Fc1ccc2nc(sc2n1)SC3C4CCC3CC4 62a_100009813300_200010738066 [0,1,0,1,0,0|2,0,0]=4 4610 B21R4.22831084 Fc1ccc2nc(sc2n1)SC3C4CCC3CC4 62a_200010738066_100009813300 [0,1,0,1,0,0|2,0,0]=4 4611 B21R4.22831084 Fc1ccc2oc(nc2c1)CN3C4CCC3CC4 2230a_100000735658_100000687093 [0,1,0,1,0,0|1,1,0]=4 4612 B21R4.22831084 Fc1ccc2oc(nc2c1)CN3C4CCC3CC4 269982a_100000735658_100000687093 [0,1,0,1,0,0|1,1,0]=4 4613 B21R4.22831084 Fc1ccc2oc(nc2c1)CN3C4CCC3CC4 34a_100000735658_100000687093 [0,1,0,1,0,0|1,1,0]=4 4614 B21R4.22831084 Fc1ccc2sc(nc2c1)SC3C4CCC3CC4 62a_100009813300_200010206605 [0,1,0,1,0,0|1,0,0]=3 4615 B21R4.22831084 Fc1ccc2sc(nc2c1)SC3C4CCC3CC4 62a_200010206605_100009813300 [0,1,0,1,0,0|1,0,0]=3 4616 B21R4.22831084 Nc1ccc2nc(sc2c1)SC3C4CCC3CC4 62a_100009813300_100010253933 [0,1,0,1,0,0|1,0,0]=3 4617 B21R4.22831084 Nc1ccc2nc(sc2c1)SC3C4CCC3CC4 62a_100010253933_100009813300 [0,1,0,1,0,0|1,0,0]=3 4618 B21R4.22831084 Nc1ccc2sc(nc2c1)SC3C4CCC3CC4 62a_100009813300_100010329861 [0,1,0,1,0,0|1,0,0]=3 4619 B21R4.22831084 Nc1ccc2sc(nc2c1)SC3C4CCC3CC4 62a_100010329861_100009813300 [0,1,0,1,0,0|1,0,0]=3 4620 B21R4.22831084 Oc1ccc2nc(sc2c1)SC3C4CCC3CC4 62a_100009813300_100010063415 [0,1,0,1,0,0|1,0,0]=3 4621 B21R4.22831568 Cc1ccc2[nH]c(nc2c1)CNC3CCC4C3C4 270004a_100000754707_100000692480 [0,1,0,1,0,0|2,0,0]=4 4622 B21R4.29768859 Cc1ccc2nc(sc2c1)N3CC4CCC3CC4 27a_100000750499_100010186437 [0,1,0,1,0,0|2,0,0]=4 4623 B21R4.29768859 Fc1ccc2nc(sc2c1)N3CC4CCC3CC4 27a_100000750499_100000751617 [0,1,0,1,0,0|2,0,0]=4 4624 B21R4.29768859 Fc1ccc2sc(nc2c1)N3CC4CCC3CC4 27a_100000750499_200010206605 [0,1,0,1,0,0|2,0,0]=4 4625 B21R4.29768859 Nc1ccc2nc(sc2c1)N3CC4CCC3CC4 27a_100000750499_100010253933 [0,1,0,1,0,0|2,0,0]=4 4626 B21R4.29768859 Nc1ccc2sc(nc2c1)N3CC4CCC3CC4 27a_100000750499_100010329861 [0,1,0,1,0,0|2,0,0]=4 4627 B21R4.29768859 Oc1ccc2nc(sc2c1)N3CC4CCC3CC4 27a_100000750499_100010063415 [0,1,0,1,0,0|2,0,0]=4 4628 B21R4.2261448 c1ccc2sc(nc2c1)N3C[C@H]4CCCC[C@H]4C3 27a_100015204113_100000751744 [0,1,0,1,0,0|2,0,0]=4 4629 B21R4.6799416 Cc1cccc2c1nc([nH]2)CNC3CC4CC4C3 270004a_100015183929_100010340937 [0,1,0,1,0,0|2,0,0]=4 4630 B21R4.6799416 Fc1cccc2c1nc([nH]2)CNC3CC4CC4C3 270004a_100011347252_100010340937 [0,1,0,1,0,0|2,0,0]=4 4631 B21R4.6889644 Cc1cccc2c1nc(s2)N3CC4CCC3CC4 27a_100000750499_100010008827 [0,1,0,1,0,0|2,0,0]=4 4632 B21R4.6889644 Fc1cccc2c1nc(s2)N3CC4CCC3CC4 27a_100000750499_100010008856 [0,1,0,1,0,0|2,0,0]=4 4633 B21R4.6889675 Brc1cccc2c1cc(s2)CN3C4CCC3CC4 270004a_100000735658_100010109917 [0,1,0,1,0,0|2,0,0]=4 4634 B21R4.6889675 Brc1cccc2c1sc(c2)CN3C4CCC3CC4 270004a_100000735658_100010110135 [0,1,0,1,0,0|2,0,0]=4 4635 B21R4.6889675 Cc1cccc2c1nc(o2)CN3C4CCC3CC4 2230a_100000735658_100011397728 [0,1,0,1,0,0|1,1,0]=4 4636 B21R4.6889675 Cc1cccc2c1nc(o2)CN3C4CCC3CC4 269982a_100000735658_100011397728 [0,1,0,1,0,0|1,1,0]=4 4637 B21R4.6889675 Cc1cccc2c1nc(o2)CN3C4CCC3CC4 34a_100000735658_100011397728 [0,1,0,1,0,0|1,1,0]=4 4638 B21R4.6889675 Cc1cccc2c1nc(s2)SC3C4CCC3CC4 62a_100009813300_100010008827 [0,1,0,1,0,0|1,0,0]=3 4639 B21R4.6889675 Clc1cccc2c1cc(s2)CN3C4CCC3CC4 270004a_100000735658_100000117544 [0,1,0,1,0,0|2,0,0]=4 4640 B21R4.6889675 Fc1cccc2c1nc(s2)SC3C4CCC3CC4 62a_100009813300_100010008856 [0,1,0,1,0,0|1,0,0]=3 4641 B21R4.42766503 Cc1cccc2c1nc([nH]2)CNC3CCC4C3C4 270004a_100015183929_100000692480 [0,1,0,1,0,0|2,0,0]=4 4642 B21R4.42766503 Fc1cccc2c1nc([nH]2)CNC3CCC4C3C4 270004a_100011347252_100000692480 [0,1,0,1,0,0|2,0,0]=4 4643 B21R4.3289859 CC(c1nc2ccccc2[nH]1)N3C4CCC3CC4 270004a_100000735658_100000199114 [0,1,0,1,0,0|2,0,0]=4 4644 B21R4.50829715 CC(NC1CCC2C1C2)c3nc4ccccc4s3 270004a_100000213967_100000692480 [0,1,0,1,0,0|1,0,0]=3 4645 B21R4.50829715 C[C@H](NC1CCC2C1C2)c3nc4ccccc4[nH]3 270004a_100015206438_100000692480 [0,1,0,1,0,0|2,0,0]=4 4646 B21R4.50839390 CC(NC1CC2CC2C1)c3nc4ccccc4s3 270004a_100000213967_100010340937 [0,1,0,1,0,0|1,0,0]=3 4647 B21R4.50839390 C[C@H](NC1CC2CC2C1)c3nc4ccccc4[nH]3 270004a_100015206438_100010340937 [0,1,0,1,0,0|2,0,0]=4 4648 B17R2.2069 CCCCC(C)Nc1nc2ccccc2[nH]1 27a_100000126638_100009814255 [0,0,1,0,1,0|1,0,0]=3 4649 B17R2.2069 CCCCC(C)Nc1nc2ccccc2s1 27a_100000126638_100000751744 [0,0,1,0,1,0|0,0,0]=2 4650 B17R2.2069 CCCCC(C)Nc1nc2cccnc2s1 27a_100000126638_100010188088 [0,0,1,0,1,0|1,0,0]=3 4651 B17R2.2069 CCCCC(C)Sc1cc2ccccc2[nH]1 62a_200011215066_100010232065 [0,0,1,0,1,0|1,0,1]=4 4652 B17R2.2069 CCCCC(C)Sc1cn2ccccc2n1 62a_200011215066_100009819586 [0,0,1,0,1,0|2,0,0]=4 4653 B17R2.2069 CCCCC(C)Sc1nc2ccccc2[nH]1 62a_200011215066_100009814255 [0,0,1,0,1,0|1,0,0]=3 4654 B17R2.2069 CCCCC(C)Sc1nc2ccccc2s1 62a_200011215066_100000751744 [0,0,1,0,1,0|0,0,0]=2 4655 B17R2.2069 CCCCC(C)Sc1nc2cccnc2s1 62a_100010188088_200011215066 [0,0,1,0,1,0|1,0,0]=3 4656 B17R2.2069 CCCCC(C)Sc1nc2cccnc2s1 62a_200011215066_100010188088 [0,0,1,0,1,0|1,0,0]=3 4657 B17R2.2069 CCCCN(C)Cc1nc2ccccc2s1 2230a_100000204650_100000210211 [0,0,1,0,1,0|2,0,0]=4 4658 B17R2.2069 CCCCN(C)Cc1nc2ccccc2s1 2230a_100000207549_100000766747 [0,0,1,0,1,0|2,0,0]=4 4659 B17R2.2069 CCCCN(C)Cc1nc2ccccc2s1 269982a_100000204650_100000210211 [0,0,1,0,1,0|2,0,0]=4 4660 B17R2.2069 CCCCN(C)Cc1nc2ccccc2s1 269982a_100000207549_100011217541 [0,0,1,0,1,0|2,0,0]=4 4661 B17R2.2069 CCCCN(C)Cc1nc2ccccc2s1 270004a_100000207549_100011204187 [0,0,1,0,1,0|2,0,0]=4 4662 B17R2.143 O=C(Nc1ccccc1)NC2CCCCC2 2430a_100000106764_100000182618 [0,0,1,0,1,0|0,1,1]=4 4663 B17R2.2342 CC(=NNC1CCCCC1)c2ccccc2 4a_100000709804_100000185851 [0,0,1,0,1,0|2,0,0]=4 4664 B17R2.2342 O=C(NNC1CCCCC1)c2ccccc2 22a_100000709804_100000185807 [0,0,1,0,1,0|1,1,0]=4 4665 B17R2.3956 Brc1ccccc1C=NNC2CCCCC2 4a_100000709804_100000211189 [0,0,1,0,1,0|2,0,0]=4 4666 B17R2.3956 Cc1ccccc1C=NNC2CCCCC2 4a_100000709804_100000211143 [0,0,1,0,1,0|2,0,0]=4 4667 B17R2.3956 Clc1ccccc1C=NNC2CCCCC2 4a_100000709804_100000210073 [0,0,1,0,1,0|2,0,0]=4 4668 B17R2.3956 Fc1ccccc1C=NNC2CCCCC2 4a_100000709804_100000210811 [0,0,1,0,1,0|2,0,0]=4 4669 B17R2.3956 Ic1ccccc1C=NNC2CCCCC2 4a_100000709804_100000010305 [0,0,1,0,1,0|2,0,0]=4 4670 B17R2.3956 Oc1ccccc1C=NNC2CCCCC2 4a_100000709804_100000185834 [0,0,1,0,1,0|1,1,0]=4 4671 B17R2.3569 CCC(COC)Nc1nc2ccccc2[nH]1 27a_100000757820_100009814255 [0,0,1,0,1,0|2,0,0]=4 4672 B17R2.3569 CCC(COC)Nc1nc2ccccc2s1 27a_100000757820_100000751744 [0,0,1,0,1,0|1,0,0]=3 4673 B17R2.3569 CCC(COC)Nc1nc2cccnc2s1 27a_100000757820_100010188088 [0,0,1,0,1,0|2,0,0]=4 4674 B17R2.3569 CCCC(CC)Nc1nc2ccccc2[nH]1 27a_100000747048_100009814255 [0,0,1,0,1,0|1,0,0]=3 4675 B17R2.3569 CCCC(CC)Nc1nc2ccccc2s1 27a_100000747048_100000751744 [0,0,1,0,1,0|0,0,0]=2 4676 B17R2.3569 CCCC(CC)Nc1nc2cccnc2s1 27a_100000747048_100010188088 [0,0,1,0,1,0|1,0,0]=3 4677 B17R2.3569 CCCC(CC)Sc1cc2ccccc2[nH]1 62a_100011219200_100010232065 [0,0,1,0,1,0|1,0,1]=4 4678 B17R2.3569 CCCC(CC)Sc1cn2ccccc2n1 62a_100011219200_100009819586 [0,0,1,0,1,0|2,0,0]=4 4679 B17R2.3569 CCCC(CC)Sc1nc2ccccc2[nH]1 62a_100011219200_100009814255 [0,0,1,0,1,0|1,0,0]=3 4680 B17R2.3569 CCCC(CC)Sc1nc2ccccc2s1 62a_100011219200_100000751744 [0,0,1,0,1,0|0,0,0]=2 4681 B17R2.3569 CCCC(CC)Sc1nc2cccnc2s1 62a_100010188088_100011219200 [0,0,1,0,1,0|1,0,0]=3 4682 B17R2.3569 CCCC(CC)Sc1nc2cccnc2s1 62a_100011219200_100010188088 [0,0,1,0,1,0|1,0,0]=3 4683 B17R2.3569 CCCN(CC)Cc1nc2ccccc2s1 2230a_100000226822_100000766747 [0,0,1,0,1,0|2,0,0]=4 4684 B17R2.3569 CCCN(CC)Cc1nc2ccccc2s1 269982a_100000226822_100011217541 [0,0,1,0,1,0|2,0,0]=4 4685 B17R2.3569 CCCN(CC)Cc1nc2ccccc2s1 270004a_100000226822_100011204187 [0,0,1,0,1,0|2,0,0]=4 4686 B17R2.3569 CCC[C@@H](CO)Nc1nc2ccccc2[nH]1 27a_100000732646_100009814255 [0,0,1,0,1,0|2,0,0]=4 4687 B17R2.3569 CCC[C@@H](CO)Nc1nc2ccccc2s1 27a_100000732646_100000751744 [0,0,1,0,1,0|1,0,0]=3 4688 B17R2.3569 CCC[C@@H](CO)Nc1nc2cccnc2s1 27a_100000732646_100010188088 [0,0,1,0,1,0|2,0,0]=4 4689 B17R2.3569 CC[C@H](CC#N)Nc1nc2ccccc2s1 27a_200009818565_100000751744 [0,0,1,0,1,0|1,0,1]=4 4690 B17R2.3569 COCC(CO)Nc1nc2ccccc2s1 27a_100000724102_100000751744 [0,0,1,0,1,0|2,0,0]=4 4691 B17R3.1898 c1ccc2c(c1)CC2=NNC3CCCC3 4a_100000737850_100000051409 [0,0,0,0,2,0|2,0,0]=4 4692 B17R3.1939 c1ccc2c(c1)CC2SC3CCCCC3 62a_100000210327_100009813401 [0,0,0,0,2,0|1,0,1]=4 4693 B17R3.1939 c1ccc2c(c1)CC2SC3CCCCC3 62a_100009813401_100000210327 [0,0,0,0,2,0|1,0,1]=4 4694 B17R3.8685 C(=C1CCCC1)c2nc3ccccc3s2 271570a_100010378317_100000751744 [0,0,0,0,2,0|1,0,1]=4 4695 B17R3.8685 C1=CCC(C1)Nc2nc3ccccc3s2 27a_100015188752_100000751744 [0,0,0,0,2,0|0,0,2]=4 4696 B17R3.8685 c1ccc2[nH]c(cc2c1)SC3CCCC3 62a_100011217020_100010232065 [0,0,0,0,2,0|1,0,1]=4 4697 B17R3.8685 c1ccc2[nH]c(nc2c1)NC3CCCC3 27a_100000211070_100009814255 [0,0,0,0,2,0|1,0,0]=3 4698 B17R3.8685 c1ccc2[nH]c(nc2c1)N[C@@H]3CCOC3 27a_200015188469_100009814255 [0,0,0,0,2,0|2,0,0]=4 4699 B17R3.8685 c1ccc2[nH]c(nc2c1)N[C@H]3CCOC3 27a_100015188467_100009814255 [0,0,0,0,2,0|2,0,0]=4 4700 B17R3.8685 c1ccc2[nH]c(nc2c1)SC3CCCC3 62a_100011217020_100009814255 [0,0,0,0,2,0|1,0,0]=3 4701 B17R3.8685 c1ccc2oc(cc2c1)SC3CCCC3 62a_100011217020_100010159458 [0,0,0,0,2,0|1,1,0]=4 4702 B17R3.8685 c1ccc2sc(cc2c1)SC3CCCC3 62a_100011217020_100009816949 [0,0,0,0,2,0|1,0,0]=3 4703 B17R3.8685 c1ccc2sc(nc2c1)CN3CCCC3 2230a_100000188435_100000766747 [0,0,0,0,2,0|2,0,0]=4 4704 B17R3.8685 c1ccc2sc(nc2c1)CN3CCCC3 269982a_100000188435_100011217541 [0,0,0,0,2,0|2,0,0]=4 4705 B17R3.8685 c1ccc2sc(nc2c1)CN3CCCC3 270004a_100000188435_100011204187 [0,0,0,0,2,0|2,0,0]=4 4706 B17R3.8685 c1ccc2sc(nc2c1)NC3CCCC3 27a_100000211070_100000751744 [0,0,0,0,2,0|0,0,0]=2 4707 B17R3.8685 c1ccc2sc(nc2c1)N[C@@H]3CCOC3 27a_200015188469_100000751744 [0,0,0,0,2,0|1,0,0]=3 4708 B17R3.8685 c1ccc2sc(nc2c1)N[C@H]3CCOC3 27a_100015188467_100000751744 [0,0,0,0,2,0|1,0,0]=3 4709 B17R3.8685 c1ccc2sc(nc2c1)SC3CCCC3 62a_100011217020_100000751744 [0,0,0,0,2,0|0,0,0]=2 4710 B17R3.8685 c1ccn2cc(nc2c1)SC3CCCC3 62a_100011217020_100009819586 [0,0,0,0,2,0|2,0,0]=4 4711 B17R3.8685 c1cnc2sc(nc2c1)NC3CCCC3 27a_100000211070_100010188088 [0,0,0,0,2,0|1,0,0]=3 4712 B17R3.8685 c1cnc2sc(nc2c1)N[C@@H]3CCOC3 27a_200015188469_100010188088 [0,0,0,0,2,0|2,0,0]=4 4713 B17R3.8685 c1cnc2sc(nc2c1)N[C@H]3CCOC3 27a_100015188467_100010188088 [0,0,0,0,2,0|2,0,0]=4 4714 B17R3.8685 c1cnc2sc(nc2c1)SC3CCCC3 62a_100010188088_100000179811 [0,0,0,0,2,0|1,0,0]=3 4715 B17R3.8685 c1cnc2sc(nc2c1)SC3CCCC3 62a_100011217020_100010188088 [0,0,0,0,2,0|1,0,0]=3 4716 B17R3.8685 c1cnc2sc(nc2c1)SC3CCOC3 62a_100010188088_100000690089 [0,0,0,0,2,0|2,0,0]=4 4717 B17R3.123689 c1ccc2[nH]c(nc2c1)CNC3CCC3 2230a_100000749019_100000737899 [0,0,0,0,2,0|2,0,0]=4 4718 B17R3.123689 c1ccc2[nH]c(nc2c1)CNC3CCC3 270004a_100000729406_100000241760 [0,0,0,0,2,0|2,0,0]=4 4719 B17R3.123689 c1ccc2[nH]c(nc2c1)SCC3CCC3 62a_100000763275_100009814255 [0,0,0,0,2,0|2,0,0]=4 4720 B17R3.123689 c1ccc2oc(nc2c1)CNC3CCC3 2230a_100000749019_100000195508 [0,0,0,0,2,0|1,1,0]=4 4721 B17R3.123689 c1ccc2oc(nc2c1)CNC3CCC3 270004a_100000733820_100000241760 [0,0,0,0,2,0|1,1,0]=4 4722 B17R3.123689 c1ccc2oc(nc2c1)CNC3CCC3 34a_100000749019_200012361514 [0,0,0,0,2,0|1,1,0]=4 4723 B17R3.123689 c1ccc2sc(cc2c1)CNC3CCC3 270004a_100015187092_100000241760 [0,0,0,0,2,0|2,0,0]=4 4724 B17R3.123689 c1ccc2sc(cc2c1)SCC3CCC3 62a_100000763275_100009816949 [0,0,0,0,2,0|2,0,0]=4 4725 B17R3.123689 c1ccc2sc(nc2c1)CNC3CCC3 2230a_100000749019_100000766747 [0,0,0,0,2,0|1,0,0]=3 4726 B17R3.123689 c1ccc2sc(nc2c1)CNC3CCC3 34a_100000749019_100011217541 [0,0,0,0,2,0|1,0,0]=3 4727 B17R3.123689 c1ccc2sc(nc2c1)CNC3COC3 2230a_100016991112_100000766747 [0,0,0,0,2,0|2,0,0]=4 4728 B17R3.123689 c1ccc2sc(nc2c1)CNC3COC3 270004a_100016991112_100011204187 [0,0,0,0,2,0|2,0,0]=4 4729 B17R3.123689 c1ccc2sc(nc2c1)CNC3CSC3 270004a_100016994217_100011204187 [0,0,0,0,2,0|2,0,0]=4 4730 B17R3.123689 c1ccc2sc(nc2c1)COC3CCC3 34a_100000748187_100011217541 [0,0,0,0,2,0|2,0,0]=4 4731 B17R3.123689 c1ccc2sc(nc2c1)CSC3CCC3 62a_100011217541_100000749161 [0,0,0,0,2,0|2,0,0]=4 4732 B17R3.123689 c1ccc2sc(nc2c1)NCC3CCC3 27a_100000738700_100000751744 [0,0,0,0,2,0|2,0,0]=4 4733 B17R3.123689 c1ccc2sc(nc2c1)SCC3CCC3 62a_100000763275_100000751744 [0,0,0,0,2,0|1,0,0]=3 4734 B17R3.123689 c1ccc2sc(nc2c1)SCC3CCO3 62a_100000103362_100000751744 [0,0,0,0,2,0|2,0,0]=4 4735 B17R3.123689 c1ccc2sc(nc2c1)SCC3COC3 62a_100010264016_100000751744 [0,0,0,0,2,0|2,0,0]=4 4736 B17R3.123689 c1cnc2sc(nc2c1)SCC3CCC3 62a_100000763275_100010188088 [0,0,0,0,2,0|2,0,0]=4 4737 B17R3.123689 c1cnc2sc(nc2c1)SCC3CCC3 62a_100010188088_100000763275 [0,0,0,0,2,0|2,0,0]=4 4738 B17R3.8765 c1cn2nc(sc2n1)NC3CCCCC3 27a_100000182618_100011333511 [0,0,0,0,2,0|2,0,0]=4 4739 B17R3.8765 c1cn2nc(sc2n1)SC3CCCCC3 62a_100000210327_100011333511 [0,0,0,0,2,0|2,0,0]=4 4740 B17R3.8708 C1=C(CCCC1)c2nc3ccccc3s2 271570a_100000062251_100000751744 [0,0,0,0,2,0|0,0,2]=4 4741 B17R3.8708 c1ccc2sc(nc2c1)N3CCOCC3 27a_100015191051_100000751744 [0,0,0,0,2,0|2,0,0]=4 4742 B17R3.8708 c1ccc2sc(nc2c1)N3CCSCC3 27a_100000737611_100000751744 [0,0,0,0,2,0|2,0,0]=4 4743 B19R2.1477 CCCCC(C)NCc1cc2ccccc2cn1 207a_100000126638_100000059776 [0,0,1,0,0,1|2,0,0]=4 4744 B19R2.1477 CCCCC(C)NCc1cc2ccccc2cn1 2230a_100000126638_100009869231 [0,0,1,0,0,1|2,0,0]=4 4745 B19R2.1477 CCCCC(C)NCc1cc2ccccc2cn1 270004a_100000126638_100000059776 [0,0,1,0,0,1|2,0,0]=4 4746 B19R2.1477 CCCCC(C)NCc1ccc2ccccc2n1 207a_100000126638_100000759686 [0,0,1,0,0,1|2,0,0]=4 4747 B19R2.1477 CCCCC(C)NCc1ccc2ccccc2n1 2230a_100000126638_100000737579 [0,0,1,0,0,1|2,0,0]=4 4748 B19R2.1477 CCCCC(C)NCc1ccc2ccccc2n1 270004a_100000126638_100000759686 [0,0,1,0,0,1|2,0,0]=4 4749 B19R2.1477 CCCCC(C)NCc1cnc2ccccc2c1 207a_100000126638_100000750898 [0,0,1,0,0,1|2,0,0]=4 4750 B19R2.1477 CCCCC(C)NCc1cnc2ccccc2c1 270004a_100000126638_100000750898 [0,0,1,0,0,1|2,0,0]=4 4751 B19R2.1477 CCCCC(C)NCc1cnc2ccccc2c1 270004a_100000742225_100000210087 [0,0,1,0,0,1|2,0,0]=4 4752 B19R2.1477 CCCCC(C)NCc1cnc2ccccc2c1 34a_100000742225_200011215066 [0,0,1,0,0,1|2,0,0]=4 4753 B19R2.1477 CCCCC(C)NCc1cnc2ccccc2n1 270004a_100000126638_100000204677 [0,0,1,0,0,1|2,0,0]=4 4754 B19R2.16162 CC(=NNC1CCCCC1)CSc2ccccc2 4a_100000709804_100000150717 [0,0,1,0,0,1|2,0,0]=4 4755 B19R2.16162 O=C(CSc1ccccc1)NNC2CCCCC2 22a_100000709804_100000211596 [0,0,1,0,0,1|2,0,0]=4 4756 B19R2.4713 CCCC(CC)NCc1cc2ccccc2cn1 207a_100000747048_100000059776 [0,0,1,0,0,1|2,0,0]=4 4757 B19R2.4713 CCCC(CC)NCc1cc2ccccc2cn1 2230a_100000747048_100009869231 [0,0,1,0,0,1|2,0,0]=4 4758 B19R2.4713 CCCC(CC)NCc1cc2ccccc2cn1 270004a_100000747048_100000059776 [0,0,1,0,0,1|2,0,0]=4 4759 B19R2.4713 CCCC(CC)NCc1ccc2ccccc2n1 207a_100000747048_100000759686 [0,0,1,0,0,1|2,0,0]=4 4760 B19R2.4713 CCCC(CC)NCc1ccc2ccccc2n1 2230a_100000747048_100000737579 [0,0,1,0,0,1|2,0,0]=4 4761 B19R2.4713 CCCC(CC)NCc1ccc2ccccc2n1 270004a_100000747048_100000759686 [0,0,1,0,0,1|2,0,0]=4 4762 B19R2.4713 CCCC(CC)NCc1cnc2ccccc2c1 207a_100000747048_100000750898 [0,0,1,0,0,1|2,0,0]=4 4763 B19R2.4713 CCCC(CC)NCc1cnc2ccccc2c1 270004a_100000742225_100000687865 [0,0,1,0,0,1|2,0,0]=4 4764 B19R2.4713 CCCC(CC)NCc1cnc2ccccc2c1 270004a_100000747048_100000750898 [0,0,1,0,0,1|2,0,0]=4 4765 B19R2.4713 CCCC(CC)NCc1cnc2ccccc2n1 270004a_100000747048_100000204677 [0,0,1,0,0,1|2,0,0]=4 4766 B19R2.4785 CCC(COC)NCCc1nc2ccccc2s1 270004a_200000203819_100000757811 [0,0,1,0,0,1|2,0,0]=4 4767 B19R2.4785 CCCC(CC)NCCc1nc2ccccc2[nH]1 270004a_100015184290_100000687865 [0,0,1,0,0,1|2,0,0]=4 4768 B19R2.4785 CCCC(CC)NCCc1nc2ccccc2s1 270004a_200000203819_100000687865 [0,0,1,0,0,1|1,0,0]=3 4769 B19R2.4785 CCOC(CC)CNCc1nc2ccccc2s1 2230a_100015183923_100000766747 [0,0,1,0,0,1|2,0,0]=4 4770 B19R2.4785 CCOC(CC)CNCc1nc2ccccc2s1 270004a_100015183923_100011204187 [0,0,1,0,0,1|2,0,0]=4 4771 B19R2.4785 CCOC(CC)CNCc1nc2ccccc2s1 34a_100015183923_100011217541 [0,0,1,0,0,1|2,0,0]=4 4772 B19R2.1289 CCCCCCCSc1cnc2ccccc2n1 62a_100000210614_100000756483 [0,0,1,0,0,1|2,0,0]=4 4773 B19R2.1289 CCCCCCCSc1cnc2ccccc2n1 62a_100000756483_100000210316 [0,0,1,0,0,1|2,0,0]=4 4774 B19R2.1289 CCCCCCCSc1ncc2ccccc2n1 62a_100000210614_100000097389 [0,0,1,0,0,1|2,0,0]=4 4775 B19R2.1289 CCCCCCNCc1cc2ccccc2cn1 207a_100000210581_100000059776 [0,0,1,0,0,1|2,0,0]=4 4776 B19R2.1289 CCCCCCNCc1cc2ccccc2cn1 2230a_100000210581_100009869231 [0,0,1,0,0,1|2,0,0]=4 4777 B19R2.1289 CCCCCCNCc1cc2ccccc2cn1 270004a_100000210581_100000059776 [0,0,1,0,0,1|2,0,0]=4 4778 B19R2.1289 CCCCCCNCc1ccc2ccccc2n1 207a_100000210581_100000759686 [0,0,1,0,0,1|2,0,0]=4 4779 B19R2.1289 CCCCCCNCc1ccc2ccccc2n1 2230a_100000210581_100000737579 [0,0,1,0,0,1|2,0,0]=4 4780 B19R2.1289 CCCCCCNCc1ccc2ccccc2n1 270004a_100000210581_100000759686 [0,0,1,0,0,1|2,0,0]=4 4781 B19R2.1289 CCCCCCNCc1cnc2ccccc2c1 207a_100000210581_100000750898 [0,0,1,0,0,1|2,0,0]=4 4782 B19R2.1289 CCCCCCNCc1cnc2ccccc2c1 270004a_100000210581_100000750898 [0,0,1,0,0,1|2,0,0]=4 4783 B19R2.1289 CCCCCCNCc1cnc2ccccc2c1 34a_100000742225_100000210314 [0,0,1,0,0,1|2,0,0]=4 4784 B19R2.1289 CCCCCCNCc1cnc2ccccc2n1 270004a_100000210581_100000204677 [0,0,1,0,0,1|2,0,0]=4 4785 B19R3.62425 c1ccc2cc(ncc2c1)CNC3CCCC3 207a_100000211070_100000059776 [0,0,0,0,1,1|2,0,0]=4 4786 B19R3.62425 c1ccc2cc(ncc2c1)CNC3CCCC3 2230a_100000211070_100009869231 [0,0,0,0,1,1|2,0,0]=4 4787 B19R3.62425 c1ccc2cc(ncc2c1)CNC3CCCC3 270004a_100000211070_100000059776 [0,0,0,0,1,1|2,0,0]=4 4788 B19R3.62425 c1ccc2cc(ncc2c1)CNC3CCCC3 34a_100000211070_100009869231 [0,0,0,0,1,1|2,0,0]=4 4789 B19R3.62425 c1ccc2cc(ncc2c1)SCC3CCCC3 62a_100000740388_100000047361 [0,0,0,0,1,1|2,0,0]=4 4790 B19R3.62425 c1ccc2cc(ncc2c1)SCC3CCCC3 62a_100009816522_100000740388 [0,0,0,0,1,1|2,0,0]=4 4791 B19R3.62425 c1ccc2nc(ccc2c1)CNC3CCCC3 207a_100000211070_100000759686 [0,0,0,0,1,1|2,0,0]=4 4792 B19R3.62425 c1ccc2nc(ccc2c1)CNC3CCCC3 2230a_100000211070_100000737579 [0,0,0,0,1,1|2,0,0]=4 4793 B19R3.62425 c1ccc2nc(ccc2c1)CNC3CCCC3 270004a_100000211070_100000759686 [0,0,0,0,1,1|2,0,0]=4 4794 B19R3.62425 c1ccc2nc(ccc2c1)CNC3CCCC3 34a_100000211070_100000737579 [0,0,0,0,1,1|2,0,0]=4 4795 B19R3.62425 c1ccc2nc(ccc2c1)SCC3CCCC3 62a_100000740388_100011291633 [0,0,0,0,1,1|2,0,0]=4 4796 B19R3.62425 c1ccc2nc(ccc2c1)SCC3CCCC3 62a_100011291633_100000740388 [0,0,0,0,1,1|2,0,0]=4 4797 B19R3.62425 c1ccc2nc(cnc2c1)CNC3CCCC3 270004a_100000211070_100000204677 [0,0,0,0,1,1|2,0,0]=4 4798 B19R3.62425 c1ccc2nc(cnc2c1)SCC3CCCC3 62a_100000740388_100000756483 [0,0,0,0,1,1|2,0,0]=4 4799 B19R3.62425 c1ccc2nc(cnc2c1)SCC3CCCC3 62a_100000756483_100000740388 [0,0,0,0,1,1|2,0,0]=4 4800 B19R3.62425 c1ccc2nc(ncc2c1)CNC3CCCC3 34a_100000211070_100009868571 [0,0,0,0,1,1|2,0,0]=4 4801 B19R3.62425 c1ccc2nc(ncc2c1)SCC3CCCC3 62a_100000740388_100000097389 [0,0,0,0,1,1|2,0,0]=4 4802 B19R3.62425 c1ccc2ncc(cc2c1)CNC3CCCC3 207a_100000211070_100000750898 [0,0,0,0,1,1|2,0,0]=4 4803 B19R3.62425 c1ccc2ncc(cc2c1)CNC3CCCC3 270004a_100000211070_100000750898 [0,0,0,0,1,1|2,0,0]=4 4804 B19R3.62425 c1ccc2ncc(cc2c1)CNC3CCCC3 270004a_100000742225_100000210133 [0,0,0,0,1,1|2,0,0]=4 4805 B19R3.62425 c1ccc2ncc(cc2c1)CNC3CCCC3 34a_100000742225_100000179811 [0,0,0,0,1,1|2,0,0]=4 4806 B19R3.62425 c1ccc2ncc(cc2c1)SCC3CCCC3 62a_100000740388_100000737414 [0,0,0,0,1,1|2,0,0]=4 4807 B21R3.47750 C(=NNC1CCCCC1)c2cc3ccccc3cn2 4a_100000709804_100000059776 [0,0,0,0,0,2|2,0,0]=4 4808 B21R3.47750 C(=NNC1CCCCC1)c2ccc3ccccc3n2 4a_100000709804_100000759686 [0,0,0,0,0,2|2,0,0]=4 4809 B21R3.47750 C(=NNC1CCCCC1)c2cnc3ccccc3c2 4a_100000709804_100000750898 [0,0,0,0,0,2|2,0,0]=4 4810 B21R3.47750 C(=NNC1CCCCC1)c2cnc3ccccc3n2 4a_100000709804_100000204677 [0,0,0,0,0,2|2,0,0]=4 4811 B21R3.47750 c1ccc2cc(ncc2c1)CNCC3CCCCC3 207a_100000210473_100000059776 [0,0,0,0,0,2|2,0,0]=4 4812 B21R3.47750 c1ccc2cc(ncc2c1)CNCC3CCCCC3 2230a_100000210473_100009869231 [0,0,0,0,0,2|2,0,0]=4 4813 B21R3.47750 c1ccc2cc(ncc2c1)CNCC3CCCCC3 270004a_100000210473_100000059776 [0,0,0,0,0,2|2,0,0]=4 4814 B21R3.47750 c1ccc2cc(ncc2c1)CNCC3CCCCC3 34a_100000210473_100009869231 [0,0,0,0,0,2|2,0,0]=4 4815 B21R3.47750 c1ccc2cc(ncc2c1)SCOC3CCCCC3 62a_100009816522_100011935260 [0,0,0,0,0,2|2,0,0]=4 4816 B21R3.47750 c1ccc2cc(ncc2c1)SCOC3CCCCC3 62a_100011935260_100000047361 [0,0,0,0,0,2|2,0,0]=4 4817 B21R3.47750 c1ccc2nc(ccc2c1)CCNC3CCCCC3 270004a_100011238595_100000210434 [0,0,0,0,0,2|2,0,0]=4 4818 B21R3.47750 c1ccc2nc(ccc2c1)CNCC3CCCCC3 207a_100000210473_100000759686 [0,0,0,0,0,2|2,0,0]=4 4819 B21R3.47750 c1ccc2nc(ccc2c1)CNCC3CCCCC3 2230a_100000210473_100000737579 [0,0,0,0,0,2|2,0,0]=4 4820 B21R3.47750 c1ccc2nc(ccc2c1)CNCC3CCCCC3 270004a_100000210473_100000759686 [0,0,0,0,0,2|2,0,0]=4 4821 B21R3.47750 c1ccc2nc(ccc2c1)CNCC3CCCCC3 34a_100000210473_100000737579 [0,0,0,0,0,2|2,0,0]=4 4822 B21R3.47750 c1ccc2nc(ccc2c1)SCOC3CCCCC3 62a_100011291633_100011935260 [0,0,0,0,0,2|2,0,0]=4 4823 B21R3.47750 c1ccc2nc(ccc2c1)SCOC3CCCCC3 62a_100011935260_100011291633 [0,0,0,0,0,2|2,0,0]=4 4824 B21R3.47750 c1ccc2nc(cnc2c1)CNCC3CCCCC3 270004a_100000210473_100000204677 [0,0,0,0,0,2|2,0,0]=4 4825 B21R3.47750 c1ccc2nc(cnc2c1)CSCC3CCCCC3 62a_100000211423_200000751123 [0,0,0,0,0,2|2,0,0]=4 4826 B21R3.47750 c1ccc2nc(cnc2c1)CSCC3CCCCC3 62a_200000751123_100000211423 [0,0,0,0,0,2|2,0,0]=4 4827 B21R3.47750 c1ccc2nc(cnc2c1)SCCC3CCCCC3 62a_100000756483_100012355289 [0,0,0,0,0,2|2,0,0]=4 4828 B21R3.47750 c1ccc2nc(cnc2c1)SCCC3CCCCC3 62a_100012355289_100000756483 [0,0,0,0,0,2|2,0,0]=4 4829 B21R3.47750 c1ccc2nc(cnc2c1)SCOC3CCCCC3 62a_100000756483_100011935260 [0,0,0,0,0,2|2,0,0]=4 4830 B21R3.47750 c1ccc2nc(cnc2c1)SCOC3CCCCC3 62a_100011935260_100000756483 [0,0,0,0,0,2|2,0,0]=4 4831 B21R3.47750 c1ccc2nc(ncc2c1)CNCC3CCCCC3 34a_100000210473_100009868571 [0,0,0,0,0,2|2,0,0]=4 4832 B21R3.47750 c1ccc2nc(ncc2c1)CSCC3CCCCC3 62a_100000211423_100009868571 [0,0,0,0,0,2|2,0,0]=4 4833 B21R3.47750 c1ccc2nc(ncc2c1)CSCC3CCCCC3 62a_100009868571_100000211423 [0,0,0,0,0,2|2,0,0]=4 4834 B21R3.47750 c1ccc2nc(ncc2c1)SCCC3CCCCC3 62a_100012355289_100000097389 [0,0,0,0,0,2|2,0,0]=4 4835 B21R3.47750 c1ccc2nc(ncc2c1)SCOC3CCCCC3 62a_100011935260_100000097389 [0,0,0,0,0,2|2,0,0]=4 4836 B21R3.47750 c1ccc2ncc(cc2c1)CNCC3CCCCC3 207a_100000210473_100000750898 [0,0,0,0,0,2|2,0,0]=4 4837 B21R3.47750 c1ccc2ncc(cc2c1)CNCC3CCCCC3 269862a_100000742225_100000211278 [0,0,0,0,0,2|2,0,0]=4 4838 B21R3.47750 c1ccc2ncc(cc2c1)CNCC3CCCCC3 270004a_100000210473_100000750898 [0,0,0,0,0,2|2,0,0]=4 4839 B21R3.47750 c1ccc2ncc(cc2c1)CNCC3CCCCC3 34a_100000742225_100000211423 [0,0,0,0,0,2|2,0,0]=4 4840 B21R3.47750 c1ccc2ncc(cc2c1)SCOC3CCCCC3 62a_100011935260_100000737414 [0,0,0,0,0,2|2,0,0]=4 4841 B21R3.2154364 c1ccc2cc(ncc2c1)CNC3CCCCCC3 207a_100000210984_100000059776 [0,0,0,0,0,2|2,0,0]=4 4842 B21R3.2154364 c1ccc2cc(ncc2c1)CNC3CCCCCC3 2230a_100000210984_100009869231 [0,0,0,0,0,2|2,0,0]=4 4843 B21R3.2154364 c1ccc2cc(ncc2c1)CNC3CCCCCC3 270004a_100000210984_100000059776 [0,0,0,0,0,2|2,0,0]=4 4844 B21R3.2154364 c1ccc2cc(ncc2c1)CNC3CCCCCC3 34a_100000210984_100009869231 [0,0,0,0,0,2|2,0,0]=4 4845 B21R3.2154364 c1ccc2nc(ccc2c1)CNC3CCCCCC3 207a_100000210984_100000759686 [0,0,0,0,0,2|2,0,0]=4 4846 B21R3.2154364 c1ccc2nc(ccc2c1)CNC3CCCCCC3 2230a_100000210984_100000737579 [0,0,0,0,0,2|2,0,0]=4 4847 B21R3.2154364 c1ccc2nc(ccc2c1)CNC3CCCCCC3 270004a_100000210984_100000759686 [0,0,0,0,0,2|2,0,0]=4 4848 B21R3.2154364 c1ccc2nc(ccc2c1)CNC3CCCCCC3 34a_100000210984_100000737579 [0,0,0,0,0,2|2,0,0]=4 4849 B21R3.2154364 c1ccc2nc(cnc2c1)CNC3CCCCCC3 270004a_100000210984_100000204677 [0,0,0,0,0,2|2,0,0]=4 4850 B21R3.2154364 c1ccc2nc(cnc2c1)SCC3CCCCCC3 62a_100000756483_200000696569 [0,0,0,0,0,2|2,0,0]=4 4851 B21R3.2154364 c1ccc2nc(cnc2c1)SCC3CCCCCC3 62a_200000696569_100000756483 [0,0,0,0,0,2|2,0,0]=4 4852 B21R3.2154364 c1ccc2nc(ncc2c1)CNC3CCCCCC3 34a_100000210984_100009868571 [0,0,0,0,0,2|2,0,0]=4 4853 B21R3.2154364 c1ccc2nc(ncc2c1)SCC3CCCCCC3 62a_200000696569_100000097389 [0,0,0,0,0,2|2,0,0]=4 4854 B21R3.2154364 c1ccc2ncc(cc2c1)CNC3CCCCCC3 207a_100000210984_100000750898 [0,0,0,0,0,2|2,0,0]=4 4855 B21R3.2154364 c1ccc2ncc(cc2c1)CNC3CCCCCC3 270004a_100000210984_100000750898 [0,0,0,0,0,2|2,0,0]=4 4856 B21R3.2154364 c1ccc2ncc(cc2c1)CNC3CCCCCC3 270004a_100000742225_100000210131 [0,0,0,0,0,2|2,0,0]=4 4857 B21R3.2154364 c1ccc2ncc(cc2c1)CNC3CCCCCC3 34a_100000742225_100011217769 [0,0,0,0,0,2|2,0,0]=4 4858 B21R3.2154364 c1ccc2ncc(cc2c1)CNC3CCCNCC3 270004a_100000742225_100015187895 [0,0,0,0,0,2|2,0,0]=4 4859 B21R3.2154278 C(=NNc1nc2ccccc2s1)C3CCCCCC3 4a_100000181811_200000763224 [0,0,0,0,0,2|1,0,1]=4 4860 B21R3.2154278 c1ccc2[nH]c(nc2c1)CCNC3CCCCCC3 270004a_100015184290_100000210131 [0,0,0,0,0,2|2,0,0]=4 4861 B21R3.2154278 c1ccc2[nH]c(nc2c1)CCNC3CCCNCC3 270004a_100015184290_100015187895 [0,0,0,0,0,2|2,0,0]=4 4862 B21R3.2154278 c1ccc2[nH]c(nc2c1)CNCC3CCCCCC3 207a_100015204231_100000185668 [0,0,0,0,0,2|2,0,0]=4 4863 B21R3.2154278 c1ccc2[nH]c(nc2c1)CNCC3CCCCCC3 2230a_100015204231_100000737899 [0,0,0,0,0,2|2,0,0]=4 4864 B21R3.2154278 c1ccc2[nH]c(nc2c1)CNCC3CCCCCC3 270004a_100015204231_100000185668 [0,0,0,0,0,2|2,0,0]=4 4865 B21R3.2154278 c1ccc2[nH]c(nc2c1)CSCC3CCCCCC3 62a_200000696569_100000737899 [0,0,0,0,0,2|2,0,0]=4 4866 B21R3.2154278 c1ccc2oc(nc2c1)CNCC3CCCCCC3 2230a_100015204231_100000195508 [0,0,0,0,0,2|1,1,0]=4 4867 B21R3.2154278 c1ccc2oc(nc2c1)CNCC3CCCCCC3 34a_100015204231_200012361514 [0,0,0,0,0,2|1,1,0]=4 4868 B21R3.2154278 c1ccc2sc(cc2c1)CNCC3CCCCCC3 207a_100015204231_100000686906 [0,0,0,0,0,2|2,0,0]=4 4869 B21R3.2154278 c1ccc2sc(cc2c1)CNCC3CCCCCC3 2230a_100015187092_200000696569 [0,0,0,0,0,2|2,0,0]=4 4870 B21R3.2154278 c1ccc2sc(cc2c1)CNCC3CCCCCC3 269862a_100015187092_200000763224 [0,0,0,0,0,2|2,0,0]=4 4871 B21R3.2154278 c1ccc2sc(cc2c1)CNCC3CCCCCC3 270004a_100015204231_100000686906 [0,0,0,0,0,2|2,0,0]=4 4872 B21R3.2154278 c1ccc2sc(nc2c1)CCNC3CCCCCC3 270004a_200000203819_100000210131 [0,0,0,0,0,2|1,0,0]=3 4873 B21R3.2154278 c1ccc2sc(nc2c1)CCNC3CCCNCC3 270004a_200000203819_100015187895 [0,0,0,0,0,2|1,0,0]=3 4874 B21R3.2154278 c1ccc2sc(nc2c1)CCNC3CSCCSC3 270004a_200000203819_100000068409 [0,0,0,0,0,2|2,0,0]=4 4875 B21R3.2154278 c1ccc2sc(nc2c1)CNCC3CCCCCC3 2230a_100015204231_100000766747 [0,0,0,0,0,2|1,0,0]=3 4876 B21R3.2154278 c1ccc2sc(nc2c1)CNCC3CCCCCC3 270004a_100015204231_100011204187 [0,0,0,0,0,2|1,0,0]=3 4877 B21R3.2154278 c1ccc2sc(nc2c1)CNCC3CCCCCC3 34a_100015204231_100011217541 [0,0,0,0,0,2|1,0,0]=3 4878 B21R3.2154278 c1ccc2sc(nc2c1)COCC3CCCCCC3 34a_100000699130_100011217541 [0,0,0,0,0,2|1,1,0]=4 4879 B21R3.2154278 c1ccc2sc(nc2c1)COCC3CCCCCC3 7a_100000699130_100011217541 [0,0,0,0,0,2|1,1,0]=4 4880 B21R3.2154278 c1ccc2sc(nc2c1)SCCN3CCCCCC3 62a_100000722644_100000751744 [0,0,0,0,0,2|2,0,0]=4 4881 B21R3.2429969 C(=NNCC1CCCCC1)c2cc3ccccc3s2 4a_100000740227_100000686906 [0,0,0,0,0,2|2,0,0]=4 4882 B21R3.2429969 C(=NNCC1CCCCC1)c2nc3ccccc3[nH]2 4a_100000740227_100000185668 [0,0,0,0,0,2|2,0,0]=4 4883 B21R3.2429969 C(=NNCC1CCCCC1)c2nc3ccccc3s2 4a_100000740227_100011204187 [0,0,0,0,0,2|1,0,0]=3 4884 B21R3.2429969 C(=NNCC1CCOCC1)c2nc3ccccc3s2 4a_200000757053_100011204187 [0,0,0,0,0,2|2,0,0]=4 4885 B21R3.2429969 C(=NNc1nc2ccccc2s1)CC3CCCCC3 4a_100000181811_100011713444 [0,0,0,0,0,2|1,0,1]=4 4886 B21R3.2429969 c1ccc2[nH]c(nc2c1)CCCNC3CCCCC3 270004a_100000734966_100000210434 [0,0,0,0,0,2|2,0,0]=4 4887 B21R3.2429969 c1ccc2[nH]c(nc2c1)CCNCC3CCCCC3 269862a_100015184290_100000211278 [0,0,0,0,0,2|2,0,0]=4 4888 B21R3.2429969 c1ccc2[nH]c(nc2c1)CCSCC3CCCCC3 62a_100000211423_100015206048 [0,0,0,0,0,2|2,0,0]=4 4889 B21R3.2429969 c1ccc2[nH]c(nc2c1)CNCCC3CCCCC3 207a_100000738074_100000185668 [0,0,0,0,0,2|2,0,0]=4 4890 B21R3.2429969 c1ccc2[nH]c(nc2c1)CNCCC3CCCCC3 2230a_100000738074_100000737899 [0,0,0,0,0,2|2,0,0]=4 4891 B21R3.2429969 c1ccc2[nH]c(nc2c1)CNCCC3CCCCC3 270004a_100000729406_100011713444 [0,0,0,0,0,2|2,0,0]=4 4892 B21R3.2429969 c1ccc2[nH]c(nc2c1)CNCCC3CCCCC3 270004a_100000738074_100000185668 [0,0,0,0,0,2|2,0,0]=4 4893 B21R3.2429969 c1ccc2[nH]c(nc2c1)CSCCC3CCCCC3 62a_100012355289_100000737899 [0,0,0,0,0,2|2,0,0]=4 4894 B21R3.2429969 c1ccc2[nH]c(nc2c1)CSCOC3CCCCC3 62a_100011935260_100000737899 [0,0,0,0,0,2|2,0,0]=4 4895 B21R3.2429969 c1ccc2[nH]c(nc2c1)SCCOC3CCCCC3 62a_100011211530_100009814255 [0,0,0,0,0,2|2,0,0]=4 4896 B21R3.2429969 c1ccc2oc(nc2c1)CNCCC3CCCCC3 2230a_100000738074_100000195508 [0,0,0,0,0,2|1,1,0]=4 4897 B21R3.2429969 c1ccc2oc(nc2c1)CNCCC3CCCCC3 270004a_100000733820_100011713444 [0,0,0,0,0,2|1,1,0]=4 4898 B21R3.2429969 c1ccc2oc(nc2c1)CNCCC3CCCCC3 34a_100000738074_200012361514 [0,0,0,0,0,2|1,1,0]=4 4899 B21R3.2429969 c1ccc2oc(nc2c1)CSCOC3CCCCC3 62a_100011935260_100000195508 [0,0,0,0,0,2|1,1,0]=4 4900 B21R3.2429969 c1ccc2oc(nc2c1)SCCNC3CCCCC3 270004a_100015185336_100000210434 [0,0,0,0,0,2|0,1,0]=3 4901 B21R3.2429969 c1ccc2oc(nc2c1)SCCNC3CCCOC3 270004a_100015185336_100000753404 [0,0,0,0,0,2|1,1,0]=4 4902 B21R3.2429969 c1ccc2oc(nc2c1)SCCNC3CCCSC3 270004a_100015185336_100000057913 [0,0,0,0,0,2|1,1,0]=4 4903 B21R3.2429969 c1ccc2oc(nc2c1)SCCNC3CCNCC3 270004a_100015185336_100015192401 [0,0,0,0,0,2|1,1,0]=4 4904 B21R3.2429969 c1ccc2oc(nc2c1)SCCNC3CCOCC3 270004a_100015185336_100011217826 [0,0,0,0,0,2|1,1,0]=4 4905 B21R3.2429969 c1ccc2oc(nc2c1)SCCNC3CCSCC3 270004a_100015185336_100000203788 [0,0,0,0,0,2|1,1,0]=4 4906 B21R3.2429969 c1ccc2sc(cc2c1)CNCCC3CCCCC3 207a_100000738074_100000686906 [0,0,0,0,0,2|2,0,0]=4 4907 B21R3.2429969 c1ccc2sc(cc2c1)CNCCC3CCCCC3 2230a_100015187092_100012355289 [0,0,0,0,0,2|2,0,0]=4 4908 B21R3.2429969 c1ccc2sc(cc2c1)CNCCC3CCCCC3 270004a_100000738074_100000686906 [0,0,0,0,0,2|2,0,0]=4 4909 B21R3.2429969 c1ccc2sc(cc2c1)CNCCC3CCCCC3 270004a_100015187092_100011713444 [0,0,0,0,0,2|2,0,0]=4 4910 B21R3.2429969 c1ccc2sc(cc2c1)CNCOC3CCCCC3 2230a_100015187092_100011935260 [0,0,0,0,0,2|2,0,0]=4 4911 B21R3.2429969 c1ccc2sc(nc2c1)CCNCC3CCCCC3 269862a_200000203819_100000211278 [0,0,0,0,0,2|1,0,0]=3 4912 B21R3.2429969 c1ccc2sc(nc2c1)CCNCC3CCOCC3 269862a_200000203819_100000749017 [0,0,0,0,0,2|2,0,0]=4 4913 B21R3.2429969 c1ccc2sc(nc2c1)CCNCC3CCSCC3 269862a_200000203819_100000067145 [0,0,0,0,0,2|2,0,0]=4 4914 B21R3.2429969 c1ccc2sc(nc2c1)CCNCC3CCSCC3 270004a_200000203819_100000067145 [0,0,0,0,0,2|2,0,0]=4 4915 B21R3.2429969 c1ccc2sc(nc2c1)CNCCC3CCCCC3 2230a_100000738074_100000766747 [0,0,0,0,0,2|1,0,0]=3 4916 B21R3.2429969 c1ccc2sc(nc2c1)CNCCC3CCCCC3 270004a_100000738074_100011204187 [0,0,0,0,0,2|1,0,0]=3 4917 B21R3.2429969 c1ccc2sc(nc2c1)CNCCC3CCCCC3 34a_100000738074_100011217541 [0,0,0,0,0,2|1,0,0]=3 4918 B21R3.2429969 c1ccc2sc(nc2c1)CNCCC3CCCCO3 2230a_100015183643_100000766747 [0,0,0,0,0,2|2,0,0]=4 4919 B21R3.2429969 c1ccc2sc(nc2c1)CNCCC3CCCCO3 270004a_100015183643_100011204187 [0,0,0,0,0,2|2,0,0]=4 4920 B21R3.2429969 c1ccc2sc(nc2c1)CNCCC3CCCCO3 34a_100015183643_100011217541 [0,0,0,0,0,2|2,0,0]=4 4921 B21R3.2429969 c1ccc2sc(nc2c1)CNCCC3CCOCC3 2230a_100000755988_100000766747 [0,0,0,0,0,2|2,0,0]=4 4922 B21R3.2429969 c1ccc2sc(nc2c1)CNCCC3CCOCC3 270004a_100000755988_100011204187 [0,0,0,0,0,2|2,0,0]=4 4923 B21R3.2429969 c1ccc2sc(nc2c1)CNCCC3CCOCC3 34a_100000755988_100011217541 [0,0,0,0,0,2|2,0,0]=4 4924 B21R3.2429969 c1ccc2sc(nc2c1)CNCCN3CCCCC3 270004a_100000216509_100011204187 [0,0,0,0,0,2|2,0,0]=4 4925 B21R3.2429969 c1ccc2sc(nc2c1)COCCC3CCCCC3 34a_100011217863_100011217541 [0,0,0,0,0,2|1,1,0]=4 4926 B21R3.2429969 c1ccc2sc(nc2c1)COCCC3CCCCC3 7a_100011217863_100011217541 [0,0,0,0,0,2|1,1,0]=4 4927 B21R3.2429969 c1ccc2sc(nc2c1)CSCCC3CCOCC3 62a_100011217541_100011934994 [0,0,0,0,0,2|2,0,0]=4 4928 B21R3.2429969 c1ccc2sc(nc2c1)CSCCC3CCOCC3 62a_100011934994_100000766747 [0,0,0,0,0,2|2,0,0]=4 4929 B21R3.2429969 c1ccc2sc(nc2c1)CSCCN3CCCCC3 62a_100000739454_100000766747 [0,0,0,0,0,2|2,0,0]=4 4930 B21R3.2429969 c1ccc2sc(nc2c1)CSCCN3CCCCC3 62a_100011217541_100000739454 [0,0,0,0,0,2|2,0,0]=4 4931 B21R3.2429969 c1ccc2sc(nc2c1)CSCOC3CCCCC3 62a_100011217541_100011935260 [0,0,0,0,0,2|1,0,0]=3 4932 B21R3.2429969 c1ccc2sc(nc2c1)CSCOC3CCCCC3 62a_100011935260_100000766747 [0,0,0,0,0,2|1,0,0]=3 4933 B21R3.2429969 c1ccc2sc(nc2c1)NCCOC3CCCCC3 27a_100015206981_100000751744 [0,0,0,0,0,2|2,0,0]=4 4934 B21R3.2429969 c1ccc2sc(nc2c1)SCCCN3CCCCC3 62a_100132302099_100000751744 [0,0,0,0,0,2|2,0,0]=4 4935 B21R3.2429969 c1ccc2sc(nc2c1)SCCOC3CCCCC3 62a_100011211530_100000751744 [0,0,0,0,0,2|1,0,0]=3 4936 B21R3.2429969 c1ccc2sc(nc2c1)SCCOC3CCCCO3 62a_100000744793_100000751744 [0,0,0,0,0,2|2,0,0]=4 4937 B21R3.2429969 c1cnc2sc(nc2c1)SCCOC3CCCCC3 62a_100010188088_100011211530 [0,0,0,0,0,2|2,0,0]=4 4938 B21R3.2429969 c1cnc2sc(nc2c1)SCCOC3CCCCC3 62a_100011211530_100010188088 [0,0,0,0,0,2|2,0,0]=4 4939 B21R3.2154918 C1=CC(CCCCC1)OCc2nc3ccccc3s2 34a_100000688657_100011217541 [0,0,0,0,0,2|2,0,0]=4 4940 B21R3.2154918 C\1=C\CCC(CCC1)CNc2nc3ccccc3s2 27a_100102730862_100000751744 [0,0,0,0,0,2|2,0,0]=4 4941 B21R3.2154918 C\1=C\CCC(CCC1)OCc2nc3ccccc3s2 34a_100016989180_100011217541 [0,0,0,0,0,2|2,0,0]=4 4942 B21R3.2154918 c1ccc2[nH]c(nc2c1)CNC3CCCCCCC3 207a_100000211152_100000185668 [0,0,0,0,0,2|2,0,0]=4 4943 B21R3.2154918 c1ccc2[nH]c(nc2c1)CNC3CCCCCCC3 2230a_100000211152_100000737899 [0,0,0,0,0,2|2,0,0]=4 4944 B21R3.2154918 c1ccc2[nH]c(nc2c1)CNC3CCCCCCC3 270004a_100000211152_100000185668 [0,0,0,0,0,2|2,0,0]=4 4945 B21R3.2154918 c1ccc2[nH]c(nc2c1)CNC3CCCCCCC3 270004a_100000729406_100000210524 [0,0,0,0,0,2|2,0,0]=4 4946 B21R3.2154918 c1ccc2oc(nc2c1)CNC3CCCCCCC3 2230a_100000211152_100000195508 [0,0,0,0,0,2|1,1,0]=4 4947 B21R3.2154918 c1ccc2oc(nc2c1)CNC3CCCCCCC3 270004a_100000733820_100000210524 [0,0,0,0,0,2|1,1,0]=4 4948 B21R3.2154918 c1ccc2oc(nc2c1)CNC3CCCCCCC3 34a_100000211152_200012361514 [0,0,0,0,0,2|1,1,0]=4 4949 B21R3.2154918 c1ccc2sc(nc2c1)CNC3CCCCCCC3 2230a_100000211152_100000766747 [0,0,0,0,0,2|1,0,0]=3 4950 B21R3.2154918 c1ccc2sc(nc2c1)CNC3CCCCCCC3 270004a_100000211152_100011204187 [0,0,0,0,0,2|1,0,0]=3 4951 B21R3.2154918 c1ccc2sc(nc2c1)CNC3CCCCCCC3 34a_100000211152_100011217541 [0,0,0,0,0,2|1,0,0]=3 4952 B21R3.2154918 c1ccc2sc(nc2c1)COC3CCCCCCC3 34a_100000210054_100011217541 [0,0,0,0,0,2|2,0,0]=4 4953 B21R3.2154918 c1ccc2sc(nc2c1)COC3CCCCCCC3 7a_100000210054_100011217541 [0,0,0,0,0,2|2,0,0]=4