0 B17R3.8707 C1=CC(=C2N=CNC2=C1)N3CCNCC3 Z3037487434 [0,0,0,0,0,0|3,0,0]=3 1 B17R3.8707 C1=CC(=C2SC=CC2=N1)N3CCNCC3 Z2959681541 [0,0,0,0,0,0|4,0,0]=4 2 B17R3.8707 C1=CC2=C(N=CN=C2N1)N3CCCCC3 Z1039058294 [0,0,0,0,0,0|2,0,0]=2 3 B17R3.8707 C1=CC2=C(N=CN=C2N1)N3CCNCC3 Z1509195203 [0,0,0,0,0,0|2,0,0]=2 4 B17R3.8707 C1=CC2=C(N=CN=C2S1)N3CCNCC3 Z228587136 [0,0,0,0,0,0|3,0,0]=3 5 B17R3.8707 C1=CC2=C(N=CN=C2S1)N3CCOCC3 Z31211473 [0,0,0,0,0,0|2,0,0]=2 6 B17R3.8707 C1=CC2=C(N=CN=C2S1)N3CCSCC3 Z645737436 [0,0,0,0,0,0|2,1,0]=3 7 B17R3.8707 C1=CC2=NC=NC(=C2S1)N3CCCCC3 Z196117778 [0,0,0,0,0,0|3,0,0]=3 8 B17R3.8707 C1=CC2=NC=NC(=C2S1)N3CCNCC3 Z390142018 [0,0,0,0,0,0|3,0,0]=3 9 B17R3.8707 C1=CC2=NC=NC(=C2S1)N3CCOCC3 Z196118736 [0,0,0,0,0,0|2,0,0]=2 10 B17R3.8707 C1=CC2=NC=NC(=C2S1)N3CCSCC3 Z645739004 [0,0,0,0,0,0|2,1,0]=3 11 B17R3.8707 C1=CCN(CC1)C2=C3NC=NC3=NC=N2 Z1618272617 [0,0,0,0,0,0|1,0,3]=4 12 B17R3.8707 C1=NC2=C(N=CN=C2N1)N3CCOCC3 Z57921676 [0,0,0,0,0,0|0,0,0]=0 13 B17R3.8707 C1=NC2=NC=NC(=C2N1)N3CCCCC3 Z372953988 [0,0,0,0,0,0|1,0,2]=3 14 B17R3.8707 C1=NC2=NC=NC(=C2N1)N3CCSCC3 Z645739768 [0,0,0,0,0,0|0,1,2]=3 15 B17R3.8707 C1=NNC2=NC=NC(=C21)N3CCOCC3 Z57101329 [0,0,0,0,0,0|2,0,0]=2 16 B18R3.1 CN1C=CC2=C1N=CN=C2N3CCOCC3 Z2933381039 [0,1,0,0,0,0|1,0,0]=2 17 B18R3.1 CN1N=CC2=C1N=CN=C2N3CCCCC3 Z57101210 [0,1,0,0,0,0|3,0,0]=4 18 B18R3.1 CN1N=CC2=C1N=CN=C2N3CCNCC3 Z223639244 [0,1,0,0,0,0|3,0,0]=4 19 B18R3.1 CN1N=CC2=C1N=CN=C2N3CCOCC3 Z57101211 [0,1,0,0,0,0|2,0,0]=3 20 B18R3.1 CN1N=CC2=C1N=CN=C2N3CCSCC3 Z645739166 [0,1,0,0,0,0|2,1,0]=4 21 B18R3.174 CC1=NC2=C(C=CS2)C(=N1)N3CCCCC3 Z56839027 [0,1,0,0,0,0|3,0,0]=4 22 B18R3.174 CC1=NC2=C(C=CS2)C(=N1)N3CCOCC3 Z56839030 [0,1,0,0,0,0|2,0,0]=3 23 B18R3.213 BrC1=CC2=C(N1)N=CN=C2N3CCOCC3 Z4067733139 [0,1,0,0,0,0|1,0,0]=2 24 B18R3.213 BrC1=CC2=C(S1)C(=NC=N2)N3CCCCC3 Z2478818503 [0,1,0,0,0,0|3,0,0]=4 25 B18R3.3140 CC1COCCN1C2=C3C=CSC3=NC=N2 Z368565014 [0,1,0,0,0,0|2,0,0]=3 26 B18R3.3140 CC1COCCN1C2=C3SC=CC3=NC=N2 Z368565662 [0,1,0,0,0,0|2,0,0]=3 27 B18R3.8788 C=C1CCN(CC1)C2=C3C=CNC3=NC=N2 Z1155808173 [0,1,0,0,0,0|2,0,0]=3 28 B18R3.8788 CC1CCN(CC1)C2=C3C=CNC3=NC=N2 Z991898466 [0,1,0,0,0,0|2,0,0]=3 29 B18R3.8788 CC1CCN(CC1)C2=C3C=CSC3=NC=N2 Z31247959 [0,1,0,0,0,0|3,0,0]=4 30 B18R3.8788 CN1CCN(CC1)C2=C3C=CSC3=NC=N2 Z85956839 [0,1,0,0,0,0|3,0,0]=4 31 B18R3.8788 CN1CCN(CC1)C2=C3NC=NC3=NC=N2 Z372954170 [0,1,0,0,0,0|1,0,2]=4 32 B18R3.8788 CN1CCN(CC1)C2=C3SC=CC3=NC=N2 Z196117844 [0,1,0,0,0,0|3,0,0]=4 33 B18R3.8788 NC1CCN(CC1)C2=C3N=CN=C3N=CN2 Z1263714132 [0,1,0,0,0,0|1,0,2]=4 34 B18R3.8788 O=C1CCN(CC1)C2=C3C=CNC3=NC=N2 Z1883134609 [0,1,0,0,0,0|2,0,0]=3 35 B18R3.8788 O=S1CCN(CC1)C2=C3C=CSC3=NC=N2 Z1127124780 [0,1,0,0,0,0|2,1,0]=4 36 B18R3.8788 O=S1CCN(CC1)C2=C3SC=CC3=NC=N2 Z1127124733 [0,1,0,0,0,0|2,1,0]=4 37 B18R3.8788 OC1CCN(CC1)C2=C3C=CNC3=NC=N2 Z991900086 [0,1,0,0,0,0|2,0,0]=3 38 B18R3.8788 OC1CCN(CC1)C2=C3C=CSC3=NC=N2 Z31189065 [0,1,0,0,0,0|3,0,0]=4 39 B18R3.8788 OC1CCN(CC1)C2=C3SC=CC3=NC=N2 Z196129554 [0,1,0,0,0,0|3,0,0]=4 40 B18R3.31674 CC1CCCN(C1)C2=C3N=CNC3=NC=N2 Z57745278 [0,1,0,0,0,0|1,0,0]=2 41 B18R3.31674 CC1CN(CCN1)C2=C3C=CNC3=NC=N2 Z1509330817 [0,1,0,0,0,0|2,0,0]=3 42 B18R3.31674 CC1CN(CCO1)C2=C3C=CSC3=NC=N2 Z219393754 [0,1,0,0,0,0|2,0,0]=3 43 B18R3.31674 CC1CN(CCO1)C2=C3SC=CC3=NC=N2 Z219395666 [0,1,0,0,0,0|2,0,0]=3 44 B18R3.31674 C[C@@H]1CN(CCN1)C2=C3C=CNC3=NC=N2 Z1509303734 [0,1,0,0,0,0|2,0,0]=3 45 B18R3.31674 FC1=CCCN(C1)C2=C3C=CNC3=NC=N2 Z1697080039 [0,1,0,0,0,0|2,0,1]=4 46 B18R3.31674 FC1CCCN(C1)C2=C3C=CNC3=NC=N2 Z2093206487 [0,1,0,0,0,0|2,0,0]=3 47 B18R3.31674 FC1CCCN(C1)C2=C3NC=NC3=NC=N2 Z2179811561 [0,1,0,0,0,0|1,0,2]=4 48 B18R3.31674 NC1CCCN(C1)C2=C3C=CNC3=NC=N2 Z1509338275 [0,1,0,0,0,0|2,0,0]=3 49 B18R3.31674 N[C@@H]1CCCN(C1)C2=C3C=CNC3=NC=N2 Z2785819852 [0,1,0,0,0,0|2,0,0]=3 50 B18R3.31674 O=C1CN(CCN1)C2=C3C=CNC3=NC=N2 Z1039060342 [0,1,0,0,0,0|2,0,1]=4 51 B18R3.31674 OC1CCCN(C1)C2=C3C=CSC3=NC=N2 Z31246549 [0,1,0,0,0,0|3,0,0]=4 52 B18R3.31674 O[C@H]1CCCN(C1)C2=C3C=CNC3=NC=N2 Z1918638033 [0,1,0,0,0,0|2,0,0]=3 53 B18R3.51480 CC1=NNC2=C1C(=NC=C2)N3CCOCC3 Z2044815412 [0,1,0,0,0,0|3,0,0]=4 54 B18R3.51480 ClC1=CNC2=C1C(=NC=N2)N3CCNCC3 Z3354739395 [0,1,0,0,0,0|2,0,0]=3 55 B16R2.2602 COC1=C(N=CN=C1N)N2CCOCC2 Z1470923736 [0,0,1,0,0,0|1,0,1]=3 56 B16R2.4630 CCCCN(C)C1=C2C=CNC2=NC=N1 Z991897752 [0,0,1,0,0,0|2,0,0]=3 57 B16R2.11632 CCOCCNC1=C2SC=CC2=NC=N1 Z432417074 [0,0,1,0,0,0|2,0,0]=3 58 B16R2.11632 COCCCSC1=C2N=CNC2=NC=N1 Z1227792896 [0,0,1,0,0,0|3,0,0]=4 59 B16R3.5924 C1=CC(=C2SC=CC2=N1)N3CCCC3 Z1270088012 [0,0,0,0,1,0|3,0,0]=4 60 B16R3.5924 C1=CC2=C(N=CN=C2N1)N3CCCC3 Z991897250 [0,0,0,0,1,0|1,0,0]=2 61 B16R3.5924 C1=CC2=NC=NC(=C2S1)N3CCCC3 Z196118072 [0,0,0,0,1,0|2,0,0]=3 62 B16R3.5924 C1=NC2=C(N=CN=C2N1)N3CCCC3 Z57745260 [0,0,0,0,1,0|0,0,0]=1 63 B18R3.2108 C1=CC2=NC=NC(=C2C=C1)N3CCCCC3 Z57161636 [0,0,0,0,0,1|3,0,0]=4 64 B18R3.2108 C1=NC2=C(CNCC2)C(=N1)N3CCOCC3 Z988983960 [0,0,0,0,0,1|1,0,2]=4 65 B18R3.2115 C1=CC2=C(N=CN=C2N1)NC3CCCCC3 Z991897320 [0,0,0,0,0,1|3,0,0]=4 66 B18R3.2115 C1=NC(=C2N=CNC2=N1)NC3CCCCC3 Z57745234 [0,0,0,0,0,1|2,0,0]=3 67 B18R3.1440748 C1=CC2=C(N=CN=C2S1)N3CCCCCC3 Z31193599 [0,0,0,0,0,1|3,0,0]=4 68 B18R3.1440748 C1=CC2=C(N=CN=C2S1)N3CCCSCC3 Z645615128 [0,0,0,0,0,1|2,1,0]=4 69 B18R3.1440748 C1=CC2=NC=NC(=C2S1)N3CCCSCC3 Z645616266 [0,0,0,0,0,1|2,1,0]=4 70 B18R3.1440748 C1=NC2=C(N=CN=C2N1)N3CCCNCC3 Z2063791535 [0,0,0,0,0,1|1,0,0]=2 71 B15R2.21 NCC1=C(N=CC=C1)N2CCOCC2 Z239873104 [1,0,1,0,0,0|1,0,1]=4 72 B15R2.21 O=CC1=C(N=CC=C1)N2CCOCC2 Z5017852092 [1,0,1,0,0,0|2,0,0]=4 73 B15R2.4278 COCCNC1=C2SC=CC2=NC=N1 Z196117864 [1,0,1,0,0,0|2,0,0]=4 74 B17R2.5291 NC1=C(C(=NC=N1)N2CCOCC2)[N+](=O)[O-] Z57604856 [0,1,1,0,0,0|1,0,1]=4 75 B17R2.8178 CN(CCCCO)C1=C2C=CNC2=NC=N1 Z1822657443 [0,1,1,0,0,0|2,0,0]=4 76 B17R2.8178 CSCCCN(C)C1=C2C=CNC2=NC=N1 Z1983773791 [0,1,1,0,0,0|1,1,0]=4 77 B17R2.49228 CCC(C)CN(C)C1=C2C=CNC2=NC=N1 Z1173754541 [0,1,1,0,0,0|2,0,0]=4 78 B17R2.74638 COCCN(C)C1=C2C=NN(C2=NC=N1)C Z729089896 [0,1,1,0,0,0|2,0,0]=4 79 B17R2.74682 CCCCN(C)C1=C2C=CNC2=NC(=N1)C Z1317595517 [0,1,1,0,0,0|2,0,0]=4 80 B17R2.79430 CCCCN(CC)C1=C2C=CNC2=NC=N1 Z1039059262 [0,1,1,0,0,0|2,0,0]=4 81 B17R2.91184 CCCC(C)N(C)C1=C2C=CNC2=NC=N1 Z1192076531 [0,1,1,0,0,0|2,0,0]=4 82 B17R2.91184 COCC(C)N(C)C1=C2C=CSC2=NC=N1 Z646087124 [0,1,1,0,0,0|2,0,0]=4 83 B17R2.10878 CCOCCCNC1=C2C=CSC2=NC=N1 Z31253039 [0,1,1,0,0,0|2,0,0]=4 84 B17R2.74423 CCOCC(C)NC1=C2SC=CC2=NC=N1 Z838102528 [0,1,1,0,0,0|2,0,0]=4 85 B17R2.21752 CCN(CCO)C1=C2C=NN(C2=NC=N1)C Z228676508 [0,1,1,0,0,0|2,0,0]=4 86 B17R2.21794 CCN(CCO)C1=C2C=CSC2=NC(=N1)Cl Z1835885815 [0,1,1,0,0,0|2,0,0]=4 87 B17R2.295633 CCN(CC(C)C)C1=C2C=CNC2=NC=N1 Z1039072330 [0,1,1,0,0,0|2,0,0]=4 88 B17R2.312270 CCCN(CCC)C1=C2N=CNC2=NC=N1 Z56935827 [0,1,1,0,0,0|1,0,0]=3 89 B17R2.312270 OCCN(CCO)C1=C2C=NNC2=NC=N1 Z1020850524 [0,1,1,0,0,0|2,0,0]=4 90 B17R3.3 CN1N=CC2=C1N=CN=C2N3CCCC3 Z223814814 [0,1,0,0,1,0|2,0,0]=4 91 B17R3.104 CC1=NC2=C(C=CS2)C(=N1)N3CCCC3 Z56840580 [0,1,0,0,1,0|2,0,0]=4 92 B17R3.104 NC1=NC2=C(C=NN2)C(=N1)N3CCCC3 Z1509467838 [0,1,0,0,1,0|2,0,0]=4 93 B17R3.104 NC1=NC2=C(NC=N2)C(=N1)N3CCCC3 Z1317594915 [0,1,0,0,1,0|0,0,2]=4 94 B17R3.2637 CC1CCCN1C2=C3C=CNC3=NC=N2 Z1365731087 [0,1,0,0,1,0|1,0,0]=3 95 B17R3.17527 O[C@@H]1CCN(C1)C2=C3C=NNC3=NC=N2 Z1129908570 [0,1,0,0,1,0|2,0,0]=4 96 B17R3.17527 O[C@@H]1CCN(C1)C2=C3SC=CC3=NC=N2 Z1127124482 [0,1,0,0,1,0|2,0,0]=4 97 B17R3.17527 O[C@H]1CCN(C1)C2=C3SC=CC3=NC=N2 Z1127124343 [0,1,0,0,1,0|2,0,0]=4 98 B19R3.4066 IC1=CC2=C(C=C1)N=CN=C2N3CCOCC3 Z1230717981 [0,1,0,0,0,1|2,0,0]=4 99 B19R3.9760 CC1CN(CCO1)C2=C3C=CC=CC3=NC=N2 Z219395480 [0,1,0,0,0,1|2,0,0]=4 100 B19R3.9 CN1C=NC2=C1C=CC=C2CN3CCOCC3 Z4155003497 [0,1,0,0,0,1|2,0,0]=4 101 B19R3.1799921 CN(C1=C2N=CNC2=NC=N1)C3CCCCC3 Z57745243 [0,1,0,0,0,1|2,0,0]=4 102 B19R3.2337419 CC1CCCCN(C1)C2=C3C=CNC3=NC=N2 Z1724740520 [0,1,0,0,0,1|2,0,0]=4 103 B19R3.57968 CC1COCCN1C2=C3C=NN(C3=NC=N2)C Z368565632 [0,2,0,0,0,0|2,0,0]=4 104 B19R3.2130831 CC1=NC2=C(C=CN2)C(=N1)N3CCC(CC3)O Z1317598608 [0,2,0,0,0,0|2,0,0]=4 105 B19R3.561 CCC1=CC2=C(S1)N=CN=C2N3CCOCC3 Z57088574 [0,2,0,0,0,0|2,0,0]=4 106 B19R3.9720 CC1=C(C2=C(S1)N=CN=C2N3CCOCC3)C Z31211451 [0,2,0,0,0,0|2,0,0]=4 107 B19R3.2200999 CC1CCC(N(C1)C2=C3C=CNC3=NC=N2)C Z1281757711 [0,2,0,0,0,0|2,0,0]=4 108 B19R3.4561 C=CC1CCN(CC1)C2=C3C=CNC3=NC=N2 Z1173763138 [0,2,0,0,0,0|2,0,0]=4 109 B19R3.4561 N#CC1CCN(CC1)C2=C3C=CNC3=NC=N2 Z1039090122 [0,2,0,0,0,0|2,0,0]=4 110 B19R3.240555 CC1CCN(CC1C)C2=C3C=CNC3=NC=N2 Z1554744310 [0,2,0,0,0,0|2,0,0]=4 111 B19R3.7158914 CC1(CCN(CC1)C2=C3C=CNC3=NC=N2)C Z1039121226 [0,2,0,0,0,0|2,0,0]=4 112 B19R3.25299 CCC1CCCN(C1)C2=C3C=CNC3=NC=N2 Z1039072618 [0,2,0,0,0,0|2,0,0]=4 113 B19R3.25299 CCC1CN(CCO1)C2=C3NC=NC3=NC=N2 Z373242238 [0,2,0,0,0,0|0,0,2]=4 114 B19R3.25299 NCC1CN(CCO1)C2=C3N=CNC3=NC=N2 Z1436622336 [0,2,0,0,0,0|0,0,0]=2 115 B19R3.25299 OCC1CCCN(C1)C2=C3C=CNC3=NC=N2 Z991898706 [0,2,0,0,0,0|2,0,0]=4 116 B19R3.25299 OC[C@H]1CCCN(C1)C2=C3C=CNC3=NC=N2 Z3676593038 [0,2,0,0,0,0|2,0,0]=4 117 B19R3.2122942 CC1CC(CN(C1)C2=C3N=CNC3=NC=N2)C Z57745247 [0,2,0,0,0,0|1,0,0]=3 118 B19R3.2122942 CC1CN(CC(O1)C)C2=C3C=CSC3=NC=N2 Z31195831 [0,2,0,0,0,0|2,0,0]=4 119 B19R3.2122942 CC1CN(CC(O1)C)C2=C3C=NNC3=NC=N2 Z204264114 [0,2,0,0,0,0|2,0,0]=4 120 B19R3.7629239 CC1(CN(CCO1)C2=C3C=CNC3=NC=N2)C Z1039072876 [0,2,0,0,0,0|1,0,0]=3 121 B19R3.7629239 CC1(CN(CCO1)C2=C3C=CSC3=NC=N2)C Z397833568 [0,2,0,0,0,0|2,0,0]=4 122 B19R3.7629239 CC1(CN(CCO1)C2=C3C=NNC3=NC=N2)C Z397834286 [0,2,0,0,0,0|2,0,0]=4 123 B17R3.483750 CN(CC1CC1)C2=C3C=CNC3=NC=N2 Z1039077888 [0,0,1,1,0,0|2,0,0]=4 124 B17R3.647426 CN(C1=C2C=CNC2=NC=N1)C3CCC3 Z1270085106 [0,0,1,1,0,0|2,0,0]=4 125 B17R3.1910 C1=CC2=C(N=CN=C2N1)NC3CCCC3 Z991898148 [0,0,1,1,0,0|2,0,0]=4 126 B19R4.1389739 C1=CC2=C(N=CN=C2N1)N3CCC4CC4C3 Z2615529597 [0,0,0,1,0,1|2,0,0]=4 127 B19R4.1389728 C1=CC2=C(N=CN=C2N1)N3CC4CCC3C4 Z1039080270 [0,1,0,1,0,0|2,0,0]=4 128 B15R3.6952 C1=NNC2=NC=NC(=C21)N3CCC3 Z237581072 [0,0,0,0,2,0|2,0,0]=4 129 B17R2.148072 CCOCCNC1=C2C=CC=CC2=NC=N1 Z600501638 [0,0,1,0,0,1|2,0,0]=4