0 B19R3.19255 C(NC1CCCCC1)c2cn3ccccc3n2 CSC000394110 [0,0,0,0,0,0|3,0,0]=3 1 B19R3.19255 C(NC1CCCOC1)c2cc3ccccc3o2 CSC008094207 [0,0,0,0,0,0|3,1,0]=4 2 B19R3.19255 C(NC1CCOCC1)c2cc3ccccc3o2 CSC000574892 [0,0,0,0,0,0|3,1,0]=4 3 B19R3.19255 C(NC1CCOCC1)c2cn3ccccc3n2 CSC000574960 [0,0,0,0,0,0|4,0,0]=4 4 B19R3.19255 C(Nc1nc2ccccc2[nH]1)C3CCCNC3 CSC007907285 [0,0,0,0,0,0|4,0,0]=4 5 B19R3.19255 C(Nc1nc2ccccc2o1)C3CCCNC3 CSC039942998 [0,0,0,0,0,0|3,1,0]=4 6 B19R3.19255 C(Nc1nc2ccccc2o1)C3CCCOC3 CSC000816049 [0,0,0,0,0,0|3,1,0]=4 7 B19R3.19255 C(Nc1nc2ccccc2s1)C3CCCNC3 CSC040264375 [0,0,0,0,0,0|3,0,0]=3 8 B19R3.19255 C(Nc1nc2ccccc2s1)C3CNCCO3 CSC004065080 [0,0,0,0,0,0|4,0,0]=4 9 B20R3.16119 CC(Nc1nc2ccccc2s1)C3CCCNC3 CSC007944261 [0,1,0,0,0,0|3,0,0]=4 10 B20R3.16119 CN(Cc1nc2ccccc2s1)C3CCNCC3 CSC007846578 [0,1,0,0,0,0|2,0,0]=3 11 B20R3.16119 O=C(Nc1nc2ccccc2[nH]1)C3CCCCC3 CSC000481774 [0,1,0,0,0,0|3,0,0]=4 12 B20R3.16119 O=C(Nc1nc2ccccc2[nH]1)C3CCCCC3 CSC000481774 [0,1,0,0,0,0|3,0,0]=4 13 B20R3.16119 O=C(Nc1nc2ccccc2s1)C3CCCNC3 CSC000642546 [0,1,0,0,0,0|3,0,0]=4 14 B20R3.16119 O=C(Nc1nc2ccccc2s1)C3CCNCC3 CSC000642545 [0,1,0,0,0,0|3,0,0]=4 15 B20R3.94169 Cc1ccc2[nH]c(nc2c1)SCC3CCCCO3 CSC026010944 [0,1,0,0,0,0|3,0,0]=4 16 B20R3.97891 CC1CCCCC1NCc2cn3ccccc3n2 CSC000497137 [0,1,0,0,0,0|3,0,0]=4 17 B20R3.97891 CC1NCCCC1NCc2cc3ccccc3s2 CSC070298297 [0,1,0,0,0,0|3,0,0]=4 18 B20R3.97891 OC1COCCC1NCc2nc3ccccc3o2 CSC071231170 [0,1,0,0,0,0|2,1,0]=4 19 B20R3.248100 Cc1cccn2c1nc(c2)CNC3CCCCC3 CSC056946850 [0,1,0,0,0,0|3,0,0]=4 20 B20R3.331219 CC(NC1CCSCC1)c2cc3ccccc3s2 CSC003442061 [0,1,0,0,0,0|3,0,0]=4 21 B20R3.331219 O=C(NC1CCCCC1)c2nc3ccccc3s2 CSC048162611 [0,1,0,0,0,0|1,0,0]=2 22 B20R3.331219 O=C(NC1CCCNC1)c2cc3ccccc3s2 CSC008089816 [0,1,0,0,0,0|3,0,0]=4 23 B20R3.331219 O=C(NC1CCCOC1)c2nc3cccnc3s2 CSC059584752 [0,1,0,0,0,0|3,0,0]=4 24 B20R3.331219 O=C(NC1CCNCC1)c2cc3ccccc3s2 CSC054693243 [0,1,0,0,0,0|3,0,0]=4 25 B20R3.331219 O=C(N[C@@H]1CCCNC1)c2cc3ccccc3s2 CSC004286480 [0,1,0,0,0,0|3,0,0]=4 26 B20R3.331219 O=C(N[C@H]1CCCNC1)c2cc3ccccc3s2 CSC004109702 [0,1,0,0,0,0|3,0,0]=4 27 B20R3.408728 CC1CCC(CC1)NCc2cn3ccccc3n2 CSC000607006 [0,1,0,0,0,0|3,0,0]=4 28 B20R3.408728 OC1CCC(CC1)NCc2cc3ccccc3o2 CSC000496339 [0,1,0,0,0,0|2,1,0]=4 29 B20R3.14686862 CC1(CCCNC1)CNc2nc3ccccc3s2 CSC004247774 [0,1,0,0,0,0|3,0,0]=4 30 B20R3.14686862 CC1(CCCOC1)NCc2cc3ccccc3s2 CSC076610254 [0,1,0,0,0,0|3,0,0]=4 31 B20R3.14686862 CC1(CCNCC1)CNc2nc3ccccc3s2 CSC004247812 [0,1,0,0,0,0|3,0,0]=4 32 B20R3.14686862 NC1(CCCCC1)CNc2nc3ccccc3[nH]2 CSC003086830 [0,1,0,0,0,0|3,0,0]=4 33 B20R3.14686862 NC1(CCCCC1)CNc2nc3ccccc3o2 CSC005438923 [0,1,0,0,0,0|2,1,0]=4 34 B20R3.14686862 NC1(CCCCC1)CNc2nc3ccccc3s2 CSC009788425 [0,1,0,0,0,0|2,0,0]=3 35 B20R3.14686862 OC1(CCCCC1)CNc2nc3ccccc3o2 CSC003295313 [0,1,0,0,0,0|2,1,0]=4 36 B18R2.4165 CCCC(CC)NCc1cn2ccccc2n1 CSC003263484 [0,0,1,0,0,0|3,0,0]=4 37 B18R2.7339 CCCNCCNCc1cc2ccccc2s1 CSC004252455 [0,0,1,0,0,0|3,0,0]=4 38 B18R3.12728 C(Nc1nc2ccccc2s1)C3CCCN3 CSC005653315 [0,0,0,0,1,0|3,0,0]=4 39 B18R3.12728 C(Nc1nc2ccccc2s1)C3CCCO3 CSC000259699 [0,0,0,0,1,0|3,0,0]=4 40 B18R3.12728 C(Nc1nc2ccccc2s1)C3CCNC3 CSC006256231 [0,0,0,0,1,0|3,0,0]=4 41 B18R3.12728 C(Sc1nc2ccccc2[nH]1)C3CCCO3 CSC046132081 [0,0,0,0,1,0|3,0,0]=4 42 B18R3.12728 C(Sc1nc2ccccc2s1)C3CCCO3 CSC042296583 [0,0,0,0,1,0|2,0,0]=3 43 B18R3.12875 C(N1CCCCC1)c2nc3ccccc3[nH]2 CSC000018664 [0,0,0,0,1,0|3,0,0]=4 44 B18R3.12875 C(N1CCNCC1)c2nc3ccccc3s2 CSC000260703 [0,0,0,0,1,0|3,0,0]=4 45 B18R3.12875 C1C(Cc2c1cccc2)NC3CCCCC3 CSC000345602 [0,0,0,0,1,0|2,0,1]=4 46 B18R3.12875 C1CCC(CC1)Nc2nc3ccccc3[nH]2 CSC000261634 [0,0,0,0,1,0|1,0,0]=2 47 B18R3.12875 C1CCC(CC1)Sc2nc3ccccc3[nH]2 CSC042282128 [0,0,0,0,1,0|1,0,0]=2 48 B18R3.12875 C1CNCC(C1)Nc2nc3ccccc3[nH]2 CSC005742568 [0,0,0,0,1,0|2,0,0]=3 49 B18R3.12875 C1CNCC(C1)Nc2nc3ccccc3o2 CSC005742549 [0,0,0,0,1,0|1,1,0]=3 50 B18R3.12875 C1CNCC(C1)Nc2nc3ccccc3s2 CSC005742580 [0,0,0,0,1,0|1,0,0]=2 51 B18R3.12875 C1CNC[C@@H](C1)Nc2nc3ccccc3[nH]2 CSC047137423 [0,0,0,0,1,0|2,0,0]=3 52 B18R3.12875 C1CNC[C@@H](C1)Nc2nc3ccccc3o2 CSC040561489 [0,0,0,0,1,0|1,1,0]=3 53 B18R3.12875 C1CNC[C@@H](C1)Nc2nc3ccccc3s2 CSC033977126 [0,0,0,0,1,0|1,0,0]=2 54 B18R3.12875 C1CNC[C@H](C1)Nc2nc3ccccc3[nH]2 CSC034407863 [0,0,0,0,1,0|2,0,0]=3 55 B18R3.12875 C1CNC[C@H](C1)Nc2nc3ccccc3o2 CSC057589569 [0,0,0,0,1,0|1,1,0]=3 56 B18R3.12875 C1CNC[C@H](C1)Nc2nc3ccccc3s2 CSC057253681 [0,0,0,0,1,0|1,0,0]=2 57 B20R3.30260 C(CN1CCCCC1)Sc2nc3ccccc3[nH]2 CSC046147837 [0,0,0,0,0,1|3,0,0]=4 58 B20R3.30260 C(CN1CCCCC1)Sc2nc3ccccc3o2 CSC046085512 [0,0,0,0,0,1|2,1,0]=4 59 B20R3.30260 C(CN1CCCCC1)Sc2nc3ccccc3s2 CSC048358658 [0,0,0,0,0,1|2,0,0]=3 60 B20R3.30260 C(NCc1nc2ccccc2o1)C3CCCCS3 CSC099842933 [0,0,0,0,0,1|2,1,0]=4 61 B17R2.2569 CCCNCCNc1nc2ccccc2[nH]1 CSC000278251 [1,0,1,0,0,0|2,0,0]=4 62 B17R2.2569 CCCNCCNc1nc2ccccc2o1 CSC005669139 [1,0,1,0,0,0|1,1,0]=4 63 B17R2.2569 CCCNCCNc1nc2ccccc2s1 CSC005669131 [1,0,1,0,0,0|1,0,0]=3 64 B17R2.2569 CCOCCCNc1nc2ccccc2[nH]1 CSC000268044 [1,0,1,0,0,0|2,0,0]=4 65 B17R2.2382 C(NC1CCCCC1)C=Cc2ccccc2 CSC005462431 [1,0,1,0,0,0|2,0,0]=4 66 B17R2.2382 C(NC1CCCCC1)C=Cc2ccccc2 CSC005462431 [1,0,1,0,0,0|2,0,0]=4 67 B19R2.4703 CCCC(CC)NCc1nc2ccccc2n1C CSC008098741 [0,1,1,0,0,0|2,0,0]=4 68 B19R2.121686 CCCC(CCO)NCc1nc2ccccc2o1 CSC099870227 [0,1,1,0,0,0|1,1,0]=4 69 B19R3.6053 Cn1c(nc2c1cccc2)CNC3CCCC3 CSC000497540 [0,1,0,0,1,0|2,0,0]=4 70 B19R3.10823 CN(Cc1nc2ccccc2s1)C3CCNC3 CSC003396826 [0,1,0,0,1,0|2,0,0]=4 71 B19R3.679979 O=C(NC1CCCC1)c2nc3cccnc3s2 CSC049044044 [0,1,0,0,1,0|2,0,0]=4 72 B19R3.182 Cn1c(nc2c1cccc2)NC3CCCNC3 CSC003517302 [0,1,0,0,1,0|2,0,0]=4 73 B19R3.54463 NC1CCCN(C1)Cc2nc3ccccc3s2 CSC000859472 [0,1,0,0,1,0|2,0,0]=4 74 B19R3.54463 N[C@@H]1CCCN(C1)Cc2nc3ccccc3s2 CSC004638173 [0,1,0,0,1,0|2,0,0]=4 75 B19R3.88146 Cc1ccc2oc(nc2c1)N[C@@H]3CCCNC3 CSC048087793 [0,1,0,0,1,0|1,1,0]=4 76 B19R3.88146 Cc1ccc2oc(nc2c1)N[C@H]3CCCNC3 CSC047829026 [0,1,0,0,1,0|1,1,0]=4 77 B19R3.171030 C[C@H]1NCCC[C@H]1Nc2nc3ccccc3[nH]2 [0,1,0,0,1,0|2,0,0]=4 78 B19R3.171030 C[C@H]1NCCC[C@H]1Nc2nc3ccccc3o2 [0,1,0,0,1,0|1,1,0]=4 79 B19R3.171030 O=C1CCCCC1Sc2nc3ccccc3s2 CSC000247773 [0,1,0,0,1,0|0,0,1]=3 80 B19R3.241821 NC1CCC(CC1)Nc2nc3ccccc3[nH]2 CSC000958851 [0,1,0,0,1,0|1,0,0]=3 81 B19R3.241821 NC1CCC(CC1)Nc2nc3ccccc3o2 CSC000958829 [0,1,0,0,1,0|0,1,0]=3 82 B19R3.241821 NC1CCC(CC1)Nc2nc3ccccc3s2 CSC000958845 [0,1,0,0,1,0|0,0,0]=2 83 B19R3.241821 NC1CCN(CC1)Cc2nc3ccccc3s2 CSC003143717 [0,1,0,0,1,0|2,0,0]=4 84 B19R3.241821 OC1CCN(CC1)Cc2nc3ccccc3s2 CSC000387702 [0,1,0,0,1,0|2,0,0]=4 85 B19R3.1799922 O=C(N1CCCCC1)c2nc3ccccc3s2 CSC046220112 [0,1,0,0,1,0|2,0,0]=4 86 B21R3.505 Oc1nc2ccccc2cc1CNC3CCCCC3 CSC029959788 [0,1,0,0,0,1|2,0,0]=4 87 B21R3.24438 O=C(NC1CCCCC1)c2ccc3ccccc3n2 CSC026421532 [0,1,0,0,0,1|2,0,0]=4 88 B21R3.24438 O=C(NC1CCCCC1)c2nnc3ccccc3n2 CSC046086427 [0,1,0,0,0,1|2,0,0]=4 89 B21R3.24438 O=C(NC1CCCCC1)c2nnc3ccccc3n2 CSC046086427 [0,1,0,0,0,1|2,0,0]=4 90 B21R3.13048 Cn1c(nc2c1cccc2)CNCC3CCCCC3 CSC041467105 [0,1,0,0,0,1|2,0,0]=4 91 B21R3.24408 O=C(CSc1nc2ccccc2s1)N3CCCCC3 CSC046254589 [0,1,0,0,0,1|2,0,0]=4 92 B21R3.24408 O=C(NCc1nc2ccccc2[nH]1)C3CCCCC3 CSC039406957 [0,1,0,0,0,1|2,0,0]=4 93 B21R3.24408 O=C(NCc1nc2ccccc2s1)C3CCCCN3 CSC050295704 [0,1,0,0,0,1|2,0,0]=4 94 B21R3.24408 O=C(NCc1nc2ccccc2s1)C3CCCNC3 CSC055098169 [0,1,0,0,0,1|2,0,0]=4 95 B21R3.24408 O=C(NCc1nc2ccccc2s1)C3CCCOC3 CSC047475343 [0,1,0,0,0,1|2,0,0]=4 96 B21R3.24408 O=C(NCc1nc2ccccc2s1)C3CCNCC3 CSC036315654 [0,1,0,0,0,1|2,0,0]=4 97 B21R3.24408 O=C(NCc1nc2ccccc2s1)[C@@H]3CCCCN3 CSC054023930 [0,1,0,0,0,1|2,0,0]=4 98 B21R3.24408 O=C(NCc1nc2ccccc2s1)[C@H]3CCCCN3 CSC036115806 [0,1,0,0,0,1|2,0,0]=4 99 B21R3.520681 CN(CC1CCCNC1)Cc2nc3ccccc3s2 CSC052700214 [0,1,0,0,0,1|2,0,0]=4 100 B21R3.520681 CN(CC1CCNCC1)Cc2nc3ccccc3s2 CSC057566332 [0,1,0,0,0,1|2,0,0]=4 101 B21R3.27502517 OC1(CCCCC1)CNCc2cc3ccccc3s2 CSC057391596 [0,1,0,0,0,1|2,0,0]=4 102 B21R3.248685 Cn1c(nc2c1cccc2)CNC3CCCCCC3 CSC040822810 [0,1,0,0,0,1|2,0,0]=4 103 B21R3.8008928 CN(Cc1nc2ccccc2s1)C3CCCNCC3 CSC042523261 [0,1,0,0,0,1|1,0,0]=3 104 B21R3.43738356 O=C(NC1CCCCCC1)c2nc3cccnc3s2 CSC047698560 [0,1,0,0,0,1|2,0,0]=4 105 B21R3.43738356 O=C(NC1CCCOCC1)c2nc3cccnc3s2 CSC057979474 [0,1,0,0,0,1|2,0,0]=4 106 B21R3.7872 CC1CCCC(C1)NCc2nc3ccccc3n2C CSC053623994 [0,2,0,0,0,0|2,0,0]=4 107 B21R3.8338 CC1CCCCC1NCc2nc3ccccc3n2C CSC029887686 [0,2,0,0,0,0|2,0,0]=4 108 B21R3.13081 CN(Cc1nc2ccccc2n1C)C3CCCCC3 CSC046213639 [0,2,0,0,0,0|2,0,0]=4 109 B21R3.29713 Cn1c(nc2c1cccc2)CNC3CCC(CC3)O CSC048939973 [0,2,0,0,0,0|2,0,0]=4 110 B21R3.154841 CN(Cc1nc2ccc(cc2s1)F)C3CCNCC3 CSC057669410 [0,2,0,0,0,0|2,0,0]=4 111 B21R3.43796953 NC1(CCCCC1)C(=O)Nc2nc3ccccc3s2 CSC039836315 [0,2,0,0,0,0|2,0,0]=4 112 B21R3.7440939 CC1CCCC(C1)NC(=O)c2nc3cccnc3s2 CSC048495334 [0,2,0,0,0,0|2,0,0]=4 113 B21R3.21603 CC1CCNC(C1NCc2nc3ccccc3s2)C CSC082463250 [0,2,0,0,0,0|2,0,0]=4 114 B21R3.218709 O[C@H]1CCCC[C@@H]1CNc2nc3cccc(c3s2)F CSC083167416 [0,2,0,0,0,0|2,0,0]=4 115 B21R3.223271 CC1(CNCCC1NCc2nc3ccccc3s2)C CSC031680342 [0,2,0,0,0,0|2,0,0]=4 116 B21R3.3957577 N[C@H]1CCCC[C@@H]1NC(=O)c2cc3ccccc3s2 [0,2,0,0,0,0|2,0,0]=4 117 B21R3.3957577 OC1COCCC1NC(=O)c2nc3ccccc3s2 CSC099203001 [0,2,0,0,0,0|2,0,0]=4 118 B21R3.659958 CC(NC1CCC(CC1)N)c2cc3ccccc3s2 CSC051008725 [0,2,0,0,0,0|2,0,0]=4 119 B21R3.659958 C[C@H]1CC[C@@H](CC1)NC(=O)c2nc3cccnc3s2 [0,2,0,0,0,0|2,0,0]=4 120 B21R3.659958 NC1CCC(CC1)NC(=O)c2cc3ccccc3s2 CSC052557247 [0,2,0,0,0,0|2,0,0]=4 121 B21R3.659958 O[C@H]1CC[C@@H](CC1)NC(=O)c2nc3cccnc3s2 [0,2,0,0,0,0|2,0,0]=4 122 B21R3.16819414 OCC1(CCOCC1)NCc2nc3ccccc3s2 CSC044530570 [0,2,0,0,0,0|2,0,0]=4 123 B19R3.274609 NCC1CCCN1Cc2nc3ccccc3s2 CSC004042962 [0,0,1,1,0,0|2,0,0]=4 124 B19R3.1671973 C(N1CCCCCC1)c2nc3ccccc3[nH]2 CSC046245658 [0,0,1,1,0,0|2,0,0]=4 125 B19R3.1671973 C(N1CCCNCC1)c2nc3ccccc3s2 CSC000510755 [0,0,1,1,0,0|2,0,0]=4 126 B17R3.8685 C1CC(CN1)Nc2nc3ccccc3[nH]2 CSC011660543 [0,0,0,0,2,0|2,0,0]=4 127 B17R3.8685 C1CC(CN1)Nc2nc3ccccc3o2 CSC011660578 [0,0,0,0,2,0|1,1,0]=4 128 B17R3.8685 C1CC(CN1)Nc2nc3ccccc3s2 CSC011660560 [0,0,0,0,2,0|1,0,0]=3 129 B17R3.8685 C1CCC(C1)Nc2nc3ccccc3[nH]2 CSC000186710 [0,0,0,0,2,0|1,0,0]=3 130 B17R3.8708 C1CCN(CC1)c2nc3ccccc3[nH]2 CSC000189456 [0,0,0,0,2,0|2,0,0]=4 131 B17R3.8708 C1CCN(CC1)c2nc3ccccc3o2 CSC000189060 [0,0,0,0,2,0|1,1,0]=4 132 B17R3.8708 C1CCN(CC1)c2nc3ccccc3s2 CSC000197271 [0,0,0,0,2,0|1,0,0]=3 133 B21R3.2429969 C(CSc1nc2ccccc2s1)CN3CCCCC3 CSC046086167 [0,0,0,0,0,2|2,0,0]=4