0 B19R3.2370 C(Cn1cnc2c1cccc2)N3CCCCC3 CSC000489459 [0,0,0,0,0,0|3,0,1]=4 1 B19R3.2370 C(NC1CCCOC1)c2csc3c2cccc3 CSC003403165 [0,0,0,0,0,0|2,0,0]=2 2 B19R3.2370 C(NC1CCSCC1)c2nnc3n2cccc3 CSC000497523 [0,0,0,0,0,0|3,0,1]=4 3 B19R3.2370 C1CN(CCO1)N=Cc2c[nH]c3c2cccc3 CSC046164982 [0,0,0,0,0,0|2,0,2]=4 4 B20R3.500 CC(NC1CCCCC1)c2nnc3n2cccc3 CSC000505646 [0,1,0,0,0,0|2,0,1]=4 5 B20R3.500 O=C(NC1CCCCC1)c2c[nH]c3c2cccn3 CSC046908058 [0,1,0,0,0,0|1,0,1]=3 6 B20R3.500 O=C(NC1CCCNC1)c2coc3c2cccc3 CSC003491935 [0,1,0,0,0,0|2,0,1]=4 7 B20R3.500 O=C(NC1CCCNC1)c2csc3c2cccc3 CSC008089815 [0,1,0,0,0,0|2,0,1]=4 8 B20R3.500 O=C(NC1CCCNC1)c2n[nH]c3c2cccc3 CSC040724650 [0,1,0,0,0,0|2,0,1]=4 9 B20R3.500 O=C(NC1CCCOC1)c2c[nH]c3c2cccn3 CSC047567017 [0,1,0,0,0,0|2,0,1]=4 10 B20R3.500 O=C(NC1CCCSC1)c2c[nH]c3c2cccn3 CSC046534287 [0,1,0,0,0,0|2,0,1]=4 11 B20R3.500 O=C(NC1CCNCC1)c2coc3c2cccc3 CSC001149139 [0,1,0,0,0,0|2,0,1]=4 12 B20R3.500 O=C(NC1CCNCC1)c2csc3c2cccc3 CSC000902615 [0,1,0,0,0,0|2,0,1]=4 13 B20R3.500 O=C(NC1CCNCC1)c2n[nH]c3c2cccc3 CSC044920742 [0,1,0,0,0,0|2,0,1]=4 14 B20R3.500 O=C(NC1CCOCC1)c2c[nH]c3c2cccn3 CSC046858919 [0,1,0,0,0,0|2,0,1]=4 15 B20R3.500 O=C(NC1CCSCC1)c2c[nH]c3c2cccn3 CSC048161373 [0,1,0,0,0,0|2,0,1]=4 16 B20R3.500 O=C(NC1CCSCC1)c2c[nH]c3c2nccc3 CSC048435195 [0,1,0,0,0,0|2,0,1]=4 17 B20R3.500 O=C(N[C@@H]1CCCNC1)c2coc3c2cccc3 CSC002024731 [0,1,0,0,0,0|2,0,1]=4 18 B20R3.500 O=C(N[C@@H]1CCCNC1)c2csc3c2cccc3 CSC002024751 [0,1,0,0,0,0|2,0,1]=4 19 B20R3.500 O=C(N[C@@H]1CCCNC1)c2n[nH]c3c2cccc3 CSC054363664 [0,1,0,0,0,0|2,0,1]=4 20 B20R3.500 O=C(N[C@H]1CCCNC1)c2c[nH]c3c2cccn3 CSC057469619 [0,1,0,0,0,0|2,0,1]=4 21 B20R3.500 O=C(N[C@H]1CCCNC1)c2coc3c2cccc3 CSC004109673 [0,1,0,0,0,0|2,0,1]=4 22 B20R3.500 O=C(N[C@H]1CCCNC1)c2csc3c2cccc3 CSC008679526 [0,1,0,0,0,0|2,0,1]=4 23 B20R3.500 O=C(N[C@H]1CCCNC1)c2n[nH]c3c2cccc3 CSC042990356 [0,1,0,0,0,0|2,0,1]=4 24 B20R3.644 CC1CCC(CC1)NCc2nnc3n2cccc3 CSC000497510 [0,1,0,0,0,0|2,0,1]=4 25 B20R3.644 CN1CCC(CC1)NCc2csc3c2cccc3 CSC000509056 [0,1,0,0,0,0|2,0,0]=3 26 B20R3.644 NC1CCC(CC1)NCc2coc3c2cccc3 CSC003945796 [0,1,0,0,0,0|1,0,0]=2 27 B20R3.644 NC1CCC(CC1)NCc2csc3c2cccc3 CSC008019037 [0,1,0,0,0,0|1,0,0]=2 28 B20R3.644 OC1CCC(CC1)NCc2csc3c2cccc3 CSC000402102 [0,1,0,0,0,0|1,0,0]=2 29 B20R3.2931 CN(Cc1csc2c1cccc2)C3CCNCC3 CSC008136386 [0,1,0,0,0,0|2,0,0]=3 30 B20R3.2931 O=C(Cc1c[nH]c2c1cccc2)N3CCSCC3 CSC000454303 [0,1,0,0,0,0|3,0,0]=4 31 B20R3.8097 CC1CCCCC1NCc2nnc3n2cccc3 CSC000497519 [0,1,0,0,0,0|2,0,1]=4 32 B20R3.8097 CC1CCNCC1NCc2coc3c2cccc3 CSC062340056 [0,1,0,0,0,0|2,0,0]=3 33 B20R3.8097 O[C@@H]1CCCC[C@H]1NCc2cnc3n2ccnc3 CSC059888966 [0,1,0,0,0,0|2,0,1]=4 34 B20R3.8097 O[C@H]1CCOC[C@@H]1NCc2cnn3c2cccc3 [0,1,0,0,0,0|2,0,1]=4 35 B20R3.14372 CC1CCCC(C1)NCc2nnc3n2cccc3 CSC000394298 [0,1,0,0,0,0|2,0,1]=4 36 B20R3.137570 CC1(CCNCC1)NCc2coc3c2cccc3 CSC097801269 [0,1,0,0,0,0|2,0,0]=3 37 B20R3.137570 CC1(CCNCC1)NCc2csc3c2cccc3 CSC089031049 [0,1,0,0,0,0|2,0,0]=3 38 B18R2.5 CCCNCCNCc1coc2c1cccc2 CSC008776792 [0,0,1,0,0,0|2,0,0]=3 39 B18R2.5 CCCNCCNCc1csc2c1cccc2 CSC004252450 [0,0,1,0,0,0|2,0,0]=3 40 B18R2.5 CCOCCCNCc1csc2c1cccc2 CSC000402097 [0,0,1,0,0,0|2,0,0]=3 41 B18R2.5 COCCCCNCc1csc2c1cccc2 CSC008019030 [0,0,1,0,0,0|2,0,0]=3 42 B18R2.5 N#CCCCCNCc1csc2c1cccc2 CSC056905731 [0,0,1,0,0,0|2,0,1]=4 43 B18R2.5 OCCOCCNCc1csc2c1cccc2 CSC000625554 [0,0,1,0,0,0|3,0,0]=4 44 B18R2.10 COCCC(C)NCc1csc2c1cccc2 CSC032665090 [0,0,1,0,0,0|2,0,0]=3 45 B18R2.23 CCC(CC#N)NCc1csc2c1cccc2 CSC003327719 [0,0,1,0,0,0|2,0,1]=4 46 B18R2.445 COc1ccccc1CCNC2CCCCC2 CSC000497324 [0,0,1,0,0,0|1,0,2]=4 47 B18R2.445 COc1ccccc1CCNC2CCCCC2 CSC000497324 [0,0,1,0,0,0|1,0,2]=4 48 B18R2.2525 C(CNC1CCCCC1)COc2ccccc2 CSC052026681 [0,0,1,0,0,0|1,0,2]=4 49 B18R2.2525 C(COCc1ccccc1)NC2CCCCC2 CSC011702625 [0,0,1,0,0,0|2,0,1]=4 50 B18R2.3606 COC(CNC1CCCCC1)c2ccccc2 CSC042196405 [0,0,1,0,0,0|2,0,1]=4 51 B18R3.2098 C(N1CCCCC1)c2csc3c2cccc3 CSC005481903 [0,0,0,0,1,0|2,0,0]=3 52 B18R3.2098 C(N1CCNCC1)c2coc3c2cccc3 CSC005702585 [0,0,0,0,1,0|3,0,0]=4 53 B18R3.2098 C(N1CCOCC1)c2csc3c2cccc3 CSC000297686 [0,0,0,0,1,0|3,0,0]=4 54 B18R3.2098 C1Cc2ccccc2C1NC3CCCCC3 CSC000281789 [0,0,0,0,1,0|1,0,2]=4 55 B18R3.3347 C(NC1CCNC1)c2csc3c2cccc3 CSC022665162 [0,0,0,0,1,0|2,0,0]=3 56 B20R3.2720 C(NC1CCCCC1)C2CCOc3c2cccc3 CSC003441205 [0,0,0,0,0,1|1,0,2]=4 57 B20R3.2720 C(NC1CCCCC1)C2NCCc3c2cccc3 CSC003220834 [0,0,0,0,0,1|1,0,2]=4 58 B20R3.2720 C(NC1CCCNC1)c2cccc3c2cccc3 CSC044610566 [0,0,0,0,0,1|2,0,0]=3 59 B20R3.2720 C(NC1CCCNC1)c2cccc3c2nccc3 CSC008585071 [0,0,0,0,0,1|3,0,0]=4 60 B20R3.2720 C(NC1CCCOC1)c2cccc3c2cccc3 CSC008094148 [0,0,0,0,0,1|2,0,0]=3 61 B20R3.2720 C(NC1CCNCC1)c2cccc3c2cccc3 CSC007980858 [0,0,0,0,0,1|2,0,0]=3 62 B20R3.2720 C(NC1CCNCC1)c2cccc3c2nccc3 CSC004034295 [0,0,0,0,0,1|3,0,0]=4 63 B20R3.2720 C(NC1CCOCC1)c2cccc3c2cccc3 CSC000574901 [0,0,0,0,0,1|2,0,0]=3 64 B20R3.2720 C(NC1CCSCC1)c2cccc3c2cccc3 CSC007946204 [0,0,0,0,0,1|2,0,0]=3 65 B20R3.2720 C(NC1CCSCC1)c2cccc3c2nccc3 CSC007944518 [0,0,0,0,0,1|3,0,0]=4 66 B20R3.2725 C(Cc1c[nH]c2c1cccc2)NC3CCCCC3 CSC000606321 [0,0,0,0,0,1|0,0,0]=1 67 B20R3.2725 C(Cc1c[nH]c2c1cccc2)NC3CCCCC3 CSC000606321 [0,0,0,0,0,1|0,0,0]=1 68 B20R3.2725 C(Cc1c[nH]c2c1cccc2)NC3CCNCC3 CSC007841286 [0,0,0,0,0,1|1,0,0]=2 69 B20R3.2725 C(Cc1c[nH]c2c1cccc2)NC3CCNCC3 CSC007841286 [0,0,0,0,0,1|1,0,0]=2 70 B20R3.2725 C(Cc1c[nH]c2c1cccc2)NC3CCSCC3 CSC000496325 [0,0,0,0,0,1|1,0,0]=2 71 B20R3.2725 C(NCc1cnn2c1cccc2)C3CCCOC3 CSC001063420 [0,0,0,0,0,1|2,0,1]=4 72 B20R3.2725 C(NCc1csc2c1cccc2)C3CCCOC3 CSC000816290 [0,0,0,0,0,1|2,0,0]=3 73 B20R3.2725 C(NCc1nnc2n1cccc2)C3CCCCC3 CSC000497520 [0,0,0,0,0,1|2,0,1]=4 74 B20R3.30190 C(NC1CCCOC1)c2ccc3ccccc3c2 CSC001067964 [0,0,0,0,0,1|2,0,0]=3 75 B20R3.30190 C(NC1CCOCC1)c2ccc3ccccc3c2 CSC000792677 [0,0,0,0,0,1|2,0,0]=3 76 B20R3.30190 C(NC1CCSCC1)c2ccc3ccccc3c2 CSC007907947 [0,0,0,0,0,1|2,0,0]=3 77 B20R3.552910 C(NC1CCCCCC1)c2nnc3n2cccc3 CSC000497511 [0,0,0,0,0,1|2,0,1]=4 78 B17R2.3 CCCCCCCn1cnc2c1cccc2 CSC000261363 [1,0,1,0,0,0|1,0,1]=4 79 B17R2.3 CCNCCNCc1coc2c1cccc2 CSC006618097 [1,0,1,0,0,0|2,0,0]=4 80 B17R2.3 CCNCCNCc1csc2c1cccc2 CSC006618105 [1,0,1,0,0,0|2,0,0]=4 81 B17R2.3 CCOCCNCc1csc2c1cccc2 CSC005471310 [1,0,1,0,0,0|2,0,0]=4 82 B17R2.3 COCCCNCc1csc2c1cccc2 CSC000283740 [1,0,1,0,0,0|2,0,0]=4 83 B17R2.3 CSCCCNCc1csc2c1cccc2 CSC000353994 [1,0,1,0,0,0|2,0,0]=4 84 B17R2.2342 CC(CNC1CCCCC1)c2ccccc2 CSC000268397 [1,0,1,0,0,0|0,0,2]=4 85 B17R2.2342 NC(CNC1CCCCC1)c2ccccc2 CSC005494803 [1,0,1,0,0,0|0,0,1]=3 86 B17R2.2342 O=C(CSC1CCCCC1)c2ccccc2 CSC000173449 [1,0,1,0,0,0|2,0,0]=4 87 B17R2.2342 OC(CNC1CCCCC1)c2ccccc2 CSC000251583 [1,0,1,0,0,0|1,0,1]=4 88 B19R2.21 COCCCCCNCc1csc2c1cccc2 CSC007948553 [0,1,1,0,0,0|1,0,0]=3 89 B19R2.21 COCCNCCNCc1coc2c1cccc2 CSC004252749 [0,1,1,0,0,0|2,0,0]=4 90 B19R2.21 COCCNCCNCc1csc2c1cccc2 CSC008776969 [0,1,1,0,0,0|2,0,0]=4 91 B19R2.21 COCCOCCNCc1csc2c1cccc2 CSC007904400 [0,1,1,0,0,0|2,0,0]=4 92 B19R2.21 OCCCSCCNCc1csc2c1cccc2 CSC008115096 [0,1,1,0,0,0|2,0,0]=4 93 B19R2.26 CCCCC(C)NCCc1c[nH]c2c1cccc2 CSC003115015 [0,1,1,0,0,0|2,0,0]=4 94 B19R2.198 CC(C)OCCCNCc1csc2c1cccc2 CSC000509036 [0,1,1,0,0,0|2,0,0]=4 95 B19R2.29 CCCCN(C)C(=O)Cc1c[nH]c2c1cccc2 CSC000598207 [0,1,1,0,0,0|2,0,0]=4 96 B19R2.257164 CC(CCCN)NCc1c(oc2c1cccc2)C CSC081168319 [0,1,1,0,0,0|2,0,0]=4 97 B19R2.257164 CCOC[C@H](C)NCc1c(oc2c1cccc2)Cl CSC091445809 [0,1,1,0,0,0|2,0,0]=4 98 B19R2.228 CC(C)CC(CO)NCc1csc2c1cccc2 CSC003187515 [0,1,1,0,0,0|2,0,0]=4 99 B19R2.16162 O=C(CNC1CCCCC1)NCc2ccccc2 CSC016846786 [0,1,1,0,0,0|2,0,0]=4 100 B19R3.434 NC1CCN(CC1)Cc2coc3c2cccc3 CSC001567954 [0,1,0,0,1,0|2,0,0]=4 101 B19R3.434 NC1CCN(CC1)Cc2csc3c2cccc3 CSC000999320 [0,1,0,0,1,0|2,0,0]=4 102 B19R3.9780 NC1CCCN(C1)Cc2coc3c2cccc3 CSC008524602 [0,1,0,0,1,0|2,0,0]=4 103 B19R3.9780 NC1CCCN(C1)Cc2csc3c2cccc3 CSC000999321 [0,1,0,0,1,0|2,0,0]=4 104 B19R3.9780 N[C@@H]1CCCN(C1)Cc2csc3c2cccc3 CSC009024063 [0,1,0,0,1,0|2,0,0]=4 105 B19R3.2488 CN(Cc1coc2c1cccc2)C3CCNC3 CSC028920954 [0,1,0,0,1,0|2,0,0]=4 106 B19R3.2488 CN(Cc1csc2c1cccc2)C3CCNC3 CSC001061991 [0,1,0,0,1,0|2,0,0]=4 107 B19R3.5407 CC1CCCC1NCc2cnc3n2cccc3 CSC057780331 [0,1,0,0,1,0|1,0,1]=4 108 B19R3.10818 O=C(NC1CCCC1)c2c[nH]c3c2cccn3 CSC048962472 [0,1,0,0,1,0|1,0,1]=4 109 B19R3.10818 O=C(NC1CCCC1)c2csc3c2cccc3 CSC033967656 [0,1,0,0,1,0|1,0,1]=4 110 B21R3.863 CN1CCC(CC1)NCc2cccc3c2cccc3 CSC037796839 [0,1,0,0,0,1|2,0,0]=4 111 B21R3.863 NC1CCC(CC1)NCc2cccc3c2cccc3 CSC041037854 [0,1,0,0,0,1|1,0,0]=3 112 B21R3.863 NC1CCC(CC1)NCc2cccc3c2nccc3 CSC055987507 [0,1,0,0,0,1|2,0,0]=4 113 B21R3.863 OC1CCC(CC1)NCc2cccc3c2cccc3 CSC043124429 [0,1,0,0,0,1|1,0,0]=3 114 B21R3.21578 NC1CCCC(C1)NCc2cccc3c2cccc3 CSC044607741 [0,1,0,0,0,1|1,0,0]=3 115 B21R3.21578 NC1CCCC(C1)NCc2cccc3c2nccc3 CSC033095677 [0,1,0,0,0,1|2,0,0]=4 116 B21R3.24493 CC(NC1CCCNC1)c2cccc3c2cccc3 CSC040587924 [0,1,0,0,0,1|2,0,0]=4 117 B21R3.24493 CC(NC1CCCSC1)c2nccc3c2cccc3 CSC076962485 [0,1,0,0,0,1|2,0,0]=4 118 B21R3.24493 CC(NC1CCNCC1)c2cccc3c2cccc3 CSC055621357 [0,1,0,0,0,1|2,0,0]=4 119 B21R3.24493 CC(NC1CCSCC1)c2cccc3c2cccc3 CSC051379173 [0,1,0,0,0,1|2,0,0]=4 120 B21R3.223258 CC1(CCNCC1)NCc2ccnc3c2cccc3 CSC077753043 [0,1,0,0,0,1|1,0,1]=4 121 B21R3.521193 CN(Cc1cccc2c1cccc2)C3CCNCC3 CSC050742279 [0,1,0,0,0,1|2,0,0]=4 122 B21R3.623 O=C(NCc1csc2c1cccc2)C3CCCCC3 CSC046768363 [0,1,0,0,0,1|1,0,0]=3 123 B21R3.872 CN1CCC(CC1)CNCc2csc3c2cccc3 CSC038089413 [0,1,0,0,0,1|2,0,0]=4 124 B21R3.872 CN1CCC(CC1)NCCc2c[nH]c3c2cccc3 CSC042089398 [0,1,0,0,0,1|1,0,0]=3 125 B21R3.2808 O=C(NCC1CCCCC1)c2n[nH]c3c2cccc3 CSC026428761 [0,1,0,0,0,1|1,0,1]=4 126 B21R3.2808 O=C(NN=C1CCCCC1)c2c[nH]c3c2cccc3 CSC047179793 [0,1,0,0,0,1|0,0,2]=4 127 B21R3.8298 O[C@@H]1CCCC[C@H]1CNCc2coc3c2cccc3 CSC082170801 [0,1,0,0,0,1|1,0,0]=3 128 B21R3.8418 Cc1ccc2c(c[nH]c2c1)CCNC3CCSCC3 CSC057457173 [0,1,0,0,0,1|1,0,0]=3 129 B21R3.8418 Fc1ccc2c(c[nH]c2c1)CCNC3CCSCC3 CSC057071187 [0,1,0,0,0,1|1,0,0]=3 130 B21R3.19837 Cc1nc2ccccc2n1CCNC3CCCCC3 CSC037689347 [0,1,0,0,0,1|1,0,1]=4 131 B21R3.19837 Cc1oc2ccccc2c1CNCC3CCCNC3 CSC082182916 [0,1,0,0,0,1|2,0,0]=4 132 B21R3.24497 CN(CC1CCCNC1)Cc2csc3c2cccc3 CSC051605977 [0,1,0,0,0,1|2,0,0]=4 133 B21R3.24497 CN(CC1CCNCC1)Cc2csc3c2cccc3 CSC037796981 [0,1,0,0,0,1|2,0,0]=4 134 B21R3.24497 O=C(Cc1c[nH]c2c1cccn2)NC3CCCNC3 CSC057508159 [0,1,0,0,0,1|2,0,0]=4 135 B21R3.24497 O=C(Cc1c[nH]c2c1cccn2)NC3CCOCC3 CSC059487093 [0,1,0,0,0,1|2,0,0]=4 136 B21R3.24497 O=C(Cc1c[nH]c2c1cccn2)NC3CCSCC3 CSC047560901 [0,1,0,0,0,1|2,0,0]=4 137 B21R3.24497 O=C(Cc1c[nH]c2c1cccn2)N[C@H]3CCCNC3 CSC056804793 [0,1,0,0,0,1|2,0,0]=4 138 B21R3.24497 O=C(Cc1coc2c1cccc2)NC3CCCSC3 CSC062516150 [0,1,0,0,0,1|2,0,0]=4 139 B21R3.24497 O=C(Cc1csc2c1cccc2)N[C@H]3CCCNC3 CSC057712303 [0,1,0,0,0,1|2,0,0]=4 140 B21R3.24497 O=C(Cc1n[nH]c2c1cccc2)NC3CCCNC3 CSC057048354 [0,1,0,0,0,1|2,0,0]=4 141 B21R3.24497 O=C(Cc1n[nH]c2c1cccc2)NC3CCNCC3 CSC057218667 [0,1,0,0,0,1|2,0,0]=4 142 B21R3.24497 O=C(Cc1n[nH]c2c1cccc2)N[C@H]3CCCNC3 CSC057007872 [0,1,0,0,0,1|2,0,0]=4 143 B21R3.24497 O=C(Cc1noc2c1cccc2)NC3CCCCC3 CSC038090311 [0,1,0,0,0,1|2,0,0]=4 144 B21R3.24497 O=C(Cn1ccc2c1cccc2)NC3CCCCC3 CSC046266758 [0,1,0,0,0,1|2,0,0]=4 145 B21R3.24497 O=C(Cn1cnc2c1cccc2)NC3CCCCC3 CSC046156342 [0,1,0,0,0,1|1,0,1]=4 146 B21R3.223263 NC1(CCCCC1)CNCc2cnc3n2cccc3 CSC097801534 [0,1,0,0,0,1|1,0,1]=4 147 B21R3.223263 NC1(CCCCC1)CNCc2coc3c2cccc3 CSC072825485 [0,1,0,0,0,1|1,0,0]=3 148 B21R3.223263 OC1(CCCCC1)CNCc2csc3c2cccc3 CSC033610234 [0,1,0,0,0,1|1,0,0]=3 149 B21R3.223263 OC1(CCOCC1)CNCc2coc3c2cccc3 CSC049450204 [0,1,0,0,0,1|2,0,0]=4 150 B21R3.223263 OC1(CCOCC1)CNCc2csc3c2cccc3 CSC031785117 [0,1,0,0,0,1|2,0,0]=4 151 B21R3.398561 Cc1cccc2c1c(c[nH]2)CCNC3CCSCC3 CSC057743634 [0,1,0,0,0,1|1,0,0]=3 152 B21R3.505 Cc1nc2ccccc2nc1CNC3CCCSC3 CSC099816086 [0,1,0,0,0,1|1,0,1]=4 153 B21R3.505 Oc1nc2ccccc2cc1CNC3CCCCC3 CSC029959788 [0,1,0,0,0,1|0,0,1]=3 154 B21R3.505 Oc1nc2ccccc2cc1CNC3CCCOC3 CSC027341408 [0,1,0,0,0,1|1,0,1]=4 155 B21R3.505 Oc1nc2ccccc2cc1CNC3CCOCC3 CSC030603405 [0,1,0,0,0,1|1,0,1]=4 156 B21R3.24438 CC(NC1CCCSC1)c2ccc3ccccc3n2 CSC081231034 [0,1,0,0,0,1|2,0,0]=4 157 B21R3.24438 CC(NC1CCOCC1)c2ccc3ccccc3c2 CSC039549791 [0,1,0,0,0,1|2,0,0]=4 158 B21R3.24438 CC(NC1CCSCC1)c2ccc3ccccc3c2 CSC050727941 [0,1,0,0,0,1|2,0,0]=4 159 B21R3.24438 O=C(NC1CCCCC1)c2ccc3ccccc3c2 CSC036959665 [0,1,0,0,0,1|1,0,1]=4 160 B21R3.24438 O=C(NC1CCCCC1)c2ccc3ccccc3n2 CSC026421532 [0,1,0,0,0,1|1,0,1]=4 161 B21R3.24492 CN(Cc1cnc2ccccc2c1)C3CCNCC3 CSC043311928 [0,1,0,0,0,1|1,0,1]=4 162 B21R3.30927 CN1CCC(CC1)NCc2ccc3ccccc3c2 CSC048721082 [0,1,0,0,0,1|2,0,0]=4 163 B21R3.30927 NC1CCC(CC1)NCc2ccc3ccccc3c2 CSC040193656 [0,1,0,0,0,1|1,0,0]=3 164 B21R3.30927 NC1CCC(CC1)NCc2ccc3ncccc3c2 CSC043777755 [0,1,0,0,0,1|2,0,0]=4 165 B21R3.30927 OC1CCC(CC1)NCc2ccc3ccccc3c2 CSC052328875 [0,1,0,0,0,1|1,0,0]=3 166 B21R3.12496 O=C1NCCCCC1NCc2csc3c2cccc3 CSC054481095 [0,1,0,0,0,1|1,0,1]=4 167 B21R3.520239 O=C(NC1CCCCCC1)c2c[nH]c3c2cccn3 CSC046937494 [0,1,0,0,0,1|1,0,1]=4 168 B21R3.520239 O=C(NC1CCCCCC1)c2csc3c2cccc3 CSC046111939 [0,1,0,0,0,1|1,0,1]=4 169 B21R3.520239 O=C(NC1CCCOCC1)c2c[nH]c3c2cccn3 CSC047983473 [0,1,0,0,0,1|1,0,1]=4 170 B21R3.2568523 CN(Cc1coc2c1cccc2)C3CCCNCC3 CSC034581840 [0,1,0,0,0,1|1,0,0]=3 171 B21R3.2568523 CN(Cc1csc2c1cccc2)C3CCCNCC3 CSC049988967 [0,1,0,0,0,1|1,0,0]=3 172 B21R3.866 NC1CCC(CC1)NC(=O)c2coc3c2cccc3 CSC040910740 [0,2,0,0,0,0|1,0,1]=4 173 B21R3.866 NC1CCC(CC1)NC(=O)c2csc3c2cccc3 CSC028671701 [0,2,0,0,0,0|1,0,1]=4 174 B21R3.866 NC1CCC(CC1)NC(=O)c2n[nH]c3c2cccc3 CSC046118731 [0,2,0,0,0,0|1,0,1]=4 175 B21R3.866 O[C@H]1CC[C@@H](CC1)NC(=O)c2coc3c2cccc3 [0,2,0,0,0,0|1,0,1]=4 176 B21R3.8284 CC1CCCCC1NC(=O)c2csc3c2cccc3 CSC047815503 [0,2,0,0,0,0|1,0,1]=4 177 B21R3.8284 F[C@H]1CCCC[C@@H]1NC(=O)c2n[nH]c3c2cccc3 [0,2,0,0,0,0|1,0,1]=4 178 B21R3.8284 N[C@H]1CCCC[C@@H]1NC(=O)c2coc3c2cccc3 [0,2,0,0,0,0|1,0,1]=4 179 B21R3.8284 N[C@H]1CCCC[C@@H]1NC(=O)c2csc3c2cccc3 [0,2,0,0,0,0|1,0,1]=4 180 B21R3.8284 N[C@H]1CCCC[C@@H]1NC(=O)c2n[nH]c3c2cccc3 [0,2,0,0,0,0|1,0,1]=4 181 B21R3.55757 CN(C1CCCCC1)C(=O)c2n[nH]c3c2cccc3 CSC027803639 [0,2,0,0,0,0|1,0,1]=4 182 B21R3.237365 Brc1cnc2[nH]cc(c2c1)C(=O)NC3CCCCC3 CSC059703663 [0,2,0,0,0,0|1,0,1]=4 183 B21R3.4959510 Cn1cc(c2c1cccc2)C(=O)NC3CCCCC3 CSC025821736 [0,2,0,0,0,0|0,0,1]=3 184 B21R3.661650 Cc1oc2ccccc2c1CNC3CCC(CC3)N CSC042863671 [0,2,0,0,0,0|1,0,0]=3 185 B21R3.6848873 Cc1oc2ccccc2c1CNC3(CCNCC3)C CSC062646906 [0,2,0,0,0,0|2,0,0]=4 186 B21R3.39025 CCC1CC(CCO1)NCc2coc3c2cccc3 CSC077562323 [0,2,0,0,0,0|2,0,0]=4 187 B21R3.2375957 OCC1(CCOCC1)NCc2coc3c2cccc3 CSC051426953 [0,2,0,0,0,0|2,0,0]=4 188 B21R3.2375957 OCC1(CCSCC1)NCc2csc3c2cccc3 CSC082924019 [0,2,0,0,0,0|2,0,0]=4 189 B21R3.2375957 OCC1(CCSCC1)NCc2n[nH]c3c2cccc3 CSC097553602 [0,2,0,0,0,0|2,0,0]=4 190 B19R3.520 NCC1CCCN1Cc2coc3c2cccc3 CSC008626560 [0,0,1,1,0,0|2,0,0]=4 191 B19R3.520 NCC1CCCN1Cc2csc3c2cccc3 CSC008136349 [0,0,1,1,0,0|2,0,0]=4 192 B19R3.4447 C(Cc1c[nH]c2c1cccc2)NC3CCCC3 CSC000606319 [0,0,1,1,0,0|2,0,0]=4 193 B19R3.4447 C(NCc1csc2c1cccc2)C3CCCO3 CSC000509032 [0,0,1,1,0,0|2,0,0]=4 194 B19R3.22020 C(CNCC1CC1)Cc2c[nH]c3c2cccc3 CSC056805782 [0,0,1,1,0,0|2,0,0]=4 195 B19R3.324613 C(N1CCCNCC1)c2coc3c2cccc3 CSC003945819 [0,0,1,1,0,0|2,0,0]=4 196 B19R3.324613 C(N1CCCNCC1)c2csc3c2cccc3 CSC003327743 [0,0,1,1,0,0|2,0,0]=4 197 B19R3.19255 C(NC1CCCCC1)c2cn3ccccc3n2 CSC000394110 [0,0,1,1,0,0|1,0,0]=3 198 B19R3.19255 C(NC1CCOCC1)c2cn3ccccc3n2 CSC000574960 [0,0,1,1,0,0|2,0,0]=4 199 B19R3.19245 C(NC1CCCCC1)c2cccc3c2cc[nH]3 CSC003364163 [0,0,1,1,0,0|2,0,0]=4 200 B19R3.19245 C(NC1CCCCC1)c2cccc3c2cc[nH]3 CSC003364163 [0,0,1,1,0,0|2,0,0]=4 201 B17R2.2382 C(CNC1CCCCC1)Cc2ccccc2 CSC000268400 [0,0,1,0,1,0|0,0,2]=4 202 B17R2.2382 C(COc1ccccc1)NC2CCCCC2 CSC000269322 [0,0,1,0,1,0|1,0,1]=4 203 B17R2.2382 C(NC1CCCCC1)C=Cc2ccccc2 CSC005462431 [0,0,1,0,1,0|0,0,0]=2 204 B17R2.2382 C(NC1CCCCC1)C=Cc2ccccc2 CSC005462431 [0,0,1,0,1,0|0,0,0]=2 205 B17R2.2382 C(NC1CCCOC1)C=Cc2ccccc2 CSC005746446 [0,0,1,0,1,0|1,0,0]=3 206 B17R2.2382 C(NC1CCSCC1)C=Cc2ccccc2 CSC021912451 [0,0,1,0,1,0|1,0,0]=3 207 B17R2.3417 Brc1ccccc1C(=O)NC2CCCCC2 CSC000153389 [0,0,1,0,1,0|2,0,0]=4 208 B17R2.3417 Clc1ccccc1C(=O)NC2CCCCC2 CSC005462119 [0,0,1,0,1,0|2,0,0]=4 209 B17R2.3417 Fc1ccccc1C(=O)NC2CCCCC2 CSC000158243 [0,0,1,0,1,0|2,0,0]=4 210 B17R2.3417 Ic1ccccc1C(=O)NC2CCCCC2 CSC000153393 [0,0,1,0,1,0|2,0,0]=4 211 B17R2.3417 Nc1ccccc1C(=O)NC2CCCCC2 CSC000260285 [0,0,1,0,1,0|1,0,0]=3 212 B17R2.3417 Nc1ccccc1C(=O)NC2CCCCC2 CSC000260285 [0,0,1,0,1,0|1,0,0]=3 213 B17R2.3417 Nc1ccccc1C(=O)NC2CCCNC2 CSC056931237 [0,0,1,0,1,0|2,0,0]=4 214 B17R2.3417 Nc1ccccc1C(=O)NC2CCCOC2 CSC005746324 [0,0,1,0,1,0|2,0,0]=4 215 B17R2.3417 Nc1ccccc1C(=O)NC2CCOCC2 CSC000355708 [0,0,1,0,1,0|2,0,0]=4 216 B17R2.3417 Nc1ccccc1C(=O)NC2CCSCC2 CSC006387424 [0,0,1,0,1,0|2,0,0]=4 217 B17R2.3417 Nc1ccccc1C(=O)N[C@H]2CCCNC2 CSC057336524 [0,0,1,0,1,0|2,0,0]=4 218 B19R2.1289 CCCNCCNCc1ccc2ccccc2c1 CSC039836114 [0,0,1,0,0,1|2,0,0]=4 219 B19R2.1289 CCOCCCNCc1ccc2ccccc2c1 CSC000493990 [0,0,1,0,0,1|2,0,0]=4 220 B19R2.1289 COCCCCNCc1ccc2ccccc2c1 CSC003136471 [0,0,1,0,0,1|2,0,0]=4 221 B19R2.1051914 CCCNCCNCc1cccc2c1cccc2 CSC004252470 [0,0,1,0,0,1|2,0,0]=4 222 B19R2.1051914 CCOCCCNCc1cccc2c1cccc2 CSC000490035 [0,0,1,0,0,1|2,0,0]=4 223 B19R2.1051914 CCOCCCNCc1cccc2c1cccc2 CSC000490035 [0,0,1,0,0,1|2,0,0]=4 224 B19R2.1051914 COCCCCNCc1cccc2c1cccc2 CSC000811199 [0,0,1,0,0,1|2,0,0]=4 225 B19R2.1051914 OCCCCCNCc1cccc2c1cccc2 CSC003291133 [0,0,1,0,0,1|2,0,0]=4 226 B19R2.1051914 OCCCCCNCc1cccc2c1cccc2 CSC003291133 [0,0,1,0,0,1|2,0,0]=4 227 B19R2.1477 COCCC(C)NCc1ccc2ccccc2c1 CSC008023180 [0,0,1,0,0,1|2,0,0]=4 228 B19R2.1682031 CCCCC(C)NCc1cccc2c1nccc2 CSC007962674 [0,0,1,0,0,1|2,0,0]=4 229 B19R2.1682031 COCCC(C)NCc1cccc2c1cccc2 CSC003291116 [0,0,1,0,0,1|2,0,0]=4 230 B19R2.529810 CCC(COC)NCc1nccc2c1cccc2 CSC069166664 [0,0,1,0,0,1|2,0,0]=4 231 B19R2.529810 CCCC(CC)NCc1cccc2c1nccc2 CSC007951922 [0,0,1,0,0,1|2,0,0]=4 232 B19R2.4485 Nc1ccccc1NC(=O)CCC2CCCCC2 CSC029887296 [0,0,1,0,0,1|2,0,0]=4 233 B19R2.5666 Nc1ccccc1C(=O)NCCC2CCCCC2 CSC007815392 [0,0,1,0,0,1|2,0,0]=4 234 B19R3.4444 C(NC1CCNC1)c2cccc3c2cccc3 CSC001471145 [0,0,0,0,1,1|2,0,0]=4 235 B19R3.62425 C(NC1CCNC1)c2ccc3ccccc3c2 CSC038937420 [0,0,0,0,1,1|2,0,0]=4 236 B21R3.3124 C(NCc1cccc2c1cccc2)C3CCCNC3 CSC044913802 [0,0,0,0,0,2|2,0,0]=4 237 B21R3.3124 C(NCc1cccc2c1cccc2)C3CCCOC3 CSC029336290 [0,0,0,0,0,2|2,0,0]=4 238 B21R3.3124 C(NCc1cccc2c1cccc2)C3CCOCC3 CSC037154194 [0,0,0,0,0,2|2,0,0]=4 239 B21R3.3124 C(NCc1nccc2c1cccc2)C3CCCCN3 CSC097803354 [0,0,0,0,0,2|2,0,0]=4 240 B21R3.3124 C(NCc1nccc2c1cccc2)C3CCCCS3 CSC094655258 [0,0,0,0,0,2|2,0,0]=4 241 B21R3.901280 C(NC1CCCNCC1)c2cccc3c2cccc3 CSC047685501 [0,0,0,0,0,2|1,0,0]=3 242 B21R3.901280 C(NC1CCCNCC1)c2cccc3c2nccc3 CSC031590151 [0,0,0,0,0,2|2,0,0]=4 243 B21R3.3130 C(CN1CCCCC1)NCc2csc3c2cccc3 CSC041875303 [0,0,0,0,0,2|2,0,0]=4 244 B21R3.3130 C(CNC1CCCCC1)Cn2cnc3c2cccc3 CSC042197569 [0,0,0,0,0,2|1,0,1]=4 245 B21R3.3130 C(CNC1CCSCC1)Cc2c[nH]c3c2cccc3 CSC056702270 [0,0,0,0,0,2|1,0,0]=3 246 B21R3.3130 C(Cc1c[nH]c2c1cccc2)NCC3CCC=CC3 CSC056243447 [0,0,0,0,0,2|0,0,2]=4 247 B21R3.3130 C(Cc1c[nH]c2c1cccc2)NCC3CCCCC3 CSC038656016 [0,0,0,0,0,2|0,0,0]=2 248 B21R3.47750 C(NCc1ccc2ccccc2c1)C3CCCOC3 CSC042519576 [0,0,0,0,0,2|2,0,0]=4 249 B21R3.47750 C(NCc1ccc2ccccc2c1)C3CCOCC3 CSC039623420 [0,0,0,0,0,2|2,0,0]=4 250 B21R3.901283 C(Cc1c[nH]c2c1cccc2)NC3CCCCCC3 CSC046149393 [0,0,0,0,0,2|0,0,0]=2 251 B21R3.901283 C(NCc1coc2c1cccc2)C3CNCCCO3 CSC097836128 [0,0,0,0,0,2|2,0,0]=4