0 B14R2.2 C=C(C)CN1C=NC2=C1C=CC=C2 Z54141269 [0,0,0,0,0,0|2,0,2]=4 1 B14R2.2 CC(=O)CC1=CNC2=C1C=CC=C2 Z277541166 [0,0,0,0,0,0|1,0,1]=2 2 B14R2.2 CC(=O)OC1=CNC2=C1C=CC=C2 Z199464144 [0,0,0,0,0,0|2,0,1]=3 3 B14R2.2 CC(C)CN1C=NC2=C1C=CC=C2 Z53833308 [0,0,0,0,0,0|2,0,1]=3 4 B14R2.2 CC(O)CN1C=NC2=C1C=CC=C2 Z600458200 [0,0,0,0,0,0|2,0,1]=3 5 B14R2.2 CN(C)CC1=CNC2=C1C=CC=C2 Z56917380 [0,0,0,0,0,0|2,0,0]=2 6 B14R2.2 N=C(N)CN1C=NC2=C1C=CC=C2 Z1316651964 [0,0,0,0,0,0|2,0,2]=4 7 B14R2.2 NC(=O)CC1=CNC2=C1C=CC=C2 Z33546521 [0,0,0,0,0,0|1,0,1]=2 8 B14R2.2 NC(=O)CC1=NOC2=C1C=CC=C2 Z101186134 [0,0,0,0,0,0|3,0,1]=4 9 B14R2.2 NC(=O)CC1=NSC2=C1C=CC=C2 Z1198158706 [0,0,0,0,0,0|3,0,1]=4 10 B14R2.2 NC(=O)CN1C=NC2=C1C=CC=C2 Z19648288 [0,0,0,0,0,0|2,0,2]=4 11 B14R2.2 O=C(O)CC1=CNC2=C1C=CC=C2 Z56913182 [0,0,0,0,0,0|2,0,1]=3 12 B14R2.2 O=C(O)CC1=CNC2=C1C=CC=N2 Z978942538 [0,0,0,0,0,0|3,0,1]=4 13 B14R2.2 O=C(O)CC1=CNC2=C1C=CN=C2 Z2213893334 [0,0,0,0,0,0|3,0,1]=4 14 B14R2.2 O=C(O)CC1=COC2=C1C=CC=C2 Z119989454 [0,0,0,0,0,0|3,0,1]=4 15 B14R2.2 O=C(O)CC1=CSC2=C1C=CC=C2 Z432090858 [0,0,0,0,0,0|3,0,1]=4 16 B14R2.2 O=C(O)CC1=NNC2=C1C=CC=C2 Z335442472 [0,0,0,0,0,0|3,0,1]=4 17 B13R2.1 CCCN1C=NC2=C1C=CC=C2 Z53833307 [1,0,0,0,0,0|1,0,1]=3 18 B13R2.1 CNCC1=CSC2=C1C=CC=C2 Z415728090 [1,0,0,0,0,0|2,0,0]=3 19 B13R2.1 N#CCC1=CNC2=C1C=CC=C2 Z104477894 [1,0,0,0,0,0|0,0,2]=3 20 B13R2.1 N#CCC1=CNC2=C1C=CC=N2 Z978942402 [1,0,0,0,0,0|1,0,2]=4 21 B13R2.1 N#CCC1=CNC2=C1C=CN=C2 Z1828214668 [1,0,0,0,0,0|1,0,2]=4 22 B13R2.1 N#CCC1=CNC2=C1N=CC=C2 Z1255440212 [1,0,0,0,0,0|1,0,2]=4 23 B13R2.1 N#CCC1=CSC2=C1C=CC=C2 Z431602866 [1,0,0,0,0,0|1,0,2]=4 24 B13R2.1 NCCC1=CNC2=C1C=CC=C2 Z104478080 [1,0,0,0,0,0|0,0,0]=1 25 B13R2.1 NCCC1=CNC2=C1C=CC=N2 Z3013846178 [1,0,0,0,0,0|1,0,0]=2 26 B13R2.1 NCCC1=CNC2=C1C=CN=C2 Z2685925193 [1,0,0,0,0,0|1,0,0]=2 27 B13R2.1 NCCC1=CNC2=C1N=CC=C2 Z1741982367 [1,0,0,0,0,0|1,0,0]=2 28 B13R2.1 NCCC1=CSC2=C1C=CC=C2 Z432090862 [1,0,0,0,0,0|1,0,0]=2 29 B13R2.1 NCCC1=NN=C2N1C=CC=C2 Z90660992 [1,0,0,0,0,0|2,0,1]=4 30 B13R2.1 NCCC1=NOC2=C1C=CC=C2 Z2492774449 [1,0,0,0,0,0|2,0,0]=3 31 B13R2.1 NCCN1C=NC2=C1C=CC=C2 Z607822458 [1,0,0,0,0,0|1,0,1]=3 32 B13R2.1 NCCN1C=NC2=C1N=CC=C2 Z4501471742 [1,0,0,0,0,0|2,0,1]=4 33 B13R2.1 NCCN1CCC2=C1C=CC=C2 Z594038402 [1,0,0,0,0,0|2,0,1]=4 34 B13R2.1 OCCC1=CNC2=C1C=CC=C2 Z1123806416 [1,0,0,0,0,0|1,0,0]=2 35 B15R2.4 CNC(=O)CC1=CNC2=C1C=CC=N2 Z1400782245 [0,1,0,0,0,0|2,0,1]=4 36 B15R2.4 COC(=O)CC1=CNC2=C1C=CC=C2 Z18279395 [0,1,0,0,0,0|1,0,1]=3 37 B15R2.4 NC(CO)CC1=CNC2=C1C=CC=C2 Z1069312128 [0,1,0,0,0,0|0,0,0]=1 38 B15R2.4 NNC(=O)CC1=CNC2=C1C=CC=C2 Z56939166 [0,1,0,0,0,0|1,0,1]=3 39 B15R2.4 O=C(CC1=CNC2=C1C=CC=C2)NO Z59181979 [0,1,0,0,0,0|1,0,1]=3 40 B15R2.377 CC(C)CN1C=CC2=C1C=CC(=C2)N Z385461498 [0,1,0,0,0,0|3,0,0]=4 41 B15R2.377 CC1=CC2=C(C=C1)C(=CN2)CC(=O)O Z940713560 [0,1,0,0,0,0|2,0,1]=4 42 B15R2.377 CN(C)CC1=CNC2=C1C=CC(=C2)F Z1201618423 [0,1,0,0,0,0|2,0,0]=3 43 B15R2.377 NC(=O)CC1=CNC2=C1C=CC(=C2)F Z997948672 [0,1,0,0,0,0|1,0,1]=3 44 B15R2.377 O=C(O)CC1=CNC2=C1C=CC(=C2)Br Z978942580 [0,1,0,0,0,0|2,0,1]=4 45 B15R2.377 O=C(O)CC1=CNC2=C1C=CC(=C2)Cl Z940713564 [0,1,0,0,0,0|2,0,1]=4 46 B15R2.377 O=C(O)CC1=CNC2=C1C=CC(=C2)F Z927291412 [0,1,0,0,0,0|2,0,1]=4 47 B15R2.993 CC(C)CN1C(=NC2=C1C=CC=C2)N Z57192135 [0,1,0,0,0,0|2,0,1]=4 48 B15R2.993 CC(C)CN1C(=NC2=C1C=CC=C2)S Z56821451 [0,1,0,0,0,0|2,0,1]=4 49 B15R2.993 CC(C)CN1C(=O)OC2=C1C=CC=C2 Z54083083 [0,1,0,0,0,0|3,0,0]=4 50 B15R2.993 CC1=C(C2=C(N1)C=CC=C2)CC(=O)N Z339563896 [0,1,0,0,0,0|1,0,1]=3 51 B15R2.993 CC1=C(C2=C(N1)C=CC=C2)CC(=O)O Z335447192 [0,1,0,0,0,0|2,0,1]=4 52 B15R2.1255 C=C(C)C(=O)C1=CNC2=C1C=CC=C2 Z1255433268 [0,1,0,0,0,0|1,0,2]=4 53 B15R2.1255 CC(C)C(=O)C1=CNC2=C1C=CC=C2 Z57504508 [0,1,0,0,0,0|1,0,1]=3 54 B15R2.1255 CC(Cl)C(=O)C1=CNC2=C1C=CC=C2 Z57033966 [0,1,0,0,0,0|1,0,1]=3 55 B15R2.1255 CC(Cl)C(=O)C1=CNC2=C1C=CC=N2 Z361892204 [0,1,0,0,0,0|2,0,1]=4 56 B15R2.1255 CN(C)C(=O)C1=CNC2=C1C=CC=C2 Z432057222 [0,1,0,0,0,0|2,0,1]=4 57 B15R2.9410 CC(N)CC1=CNC2=C1C=C(C=C2)F Z1198156503 [0,1,0,0,0,0|0,0,0]=1 58 B15R2.9410 CC(N)CC1=CNC2=C1C=C(C=C2)O Z1255489555 [0,1,0,0,0,0|0,0,0]=1 59 B15R2.9410 CC(N)CC1=CSC2=C1C=C(C=C2)Br Z4631838934 [0,1,0,0,0,0|1,0,0]=2 60 B15R2.9410 CC(N)CC1=CSC2=C1C=C(C=C2)O Z4560488456 [0,1,0,0,0,0|1,0,0]=2 61 B15R2.9410 CC1=CC2=C(C=C1)NC=C2CC(=O)O Z1138836786 [0,1,0,0,0,0|2,0,1]=4 62 B15R2.9410 CN(C)CC1=CNC2=C1C=C(C=C2)Br Z1269196757 [0,1,0,0,0,0|2,0,0]=3 63 B15R2.9410 O=C(O)CC1=CNC2=C1C=C(C=C2)Cl Z1162450206 [0,1,0,0,0,0|2,0,1]=4 64 B15R2.13587 CC1=C2NC=C(C2=CC=C1)CC(=O)O Z1198148795 [0,1,0,0,0,0|2,0,1]=4 65 B15R2.13587 NC(=O)CC1=CNC2=C1C=CC=C2Br Z1269130594 [0,1,0,0,0,0|1,0,1]=3 66 B15R2.13587 O=C(O)CC1=CNC2=C1C=CC=C2Br Z1269161790 [0,1,0,0,0,0|2,0,1]=4 67 B15R2.13587 O=C(O)CC1=CNC2=C1C=CC=C2F Z1198266463 [0,1,0,0,0,0|2,0,1]=4 68 B15R2.13624 CC1=C2C(=CNC2=CC=C1)CC(=O)O Z978942564 [0,1,0,0,0,0|2,0,1]=4 69 B15R2.13624 O=C(O)CC1=CNC2=C1C(=CC=C2)Br Z1269131875 [0,1,0,0,0,0|2,0,1]=4 70 B15R2.13624 O=C(O)CC1=CNC2=C1C(=CC=C2)Cl Z1269128767 [0,1,0,0,0,0|2,0,1]=4 71 B13R1.90 COC1=C(C=CC=C1)OCC(C)N Z744843996 [0,0,1,0,0,0|2,0,1]=4 72 B13R1.201 CC(C)NC(=O)C1=C(C=CC=C1)N Z56040642 [0,0,1,0,0,0|3,0,0]=4 73 B13R1.201 CC1=C(C=CC=C1)C(=O)CC(C)C Z513734716 [0,0,1,0,0,0|3,0,0]=4 74 B13R1.713 CC(C)CC(C=O)C1=CC=CC=C1 Z1268606424 [0,0,1,0,0,0|2,0,1]=4 75 B13R1.713 CC(O)CC(CN)C1=CC=CC=C1 Z1410955907 [0,0,1,0,0,0|1,0,2]=4 76 B15R3.2009 O=C1CC2=C(C1)C3=C(N2)C=CC=C3 Z1255384489 [0,0,0,1,0,0|1,0,1]=3 77 B13R2.72 CC(=O)C1=CNC2=C1C=CC=N2 Z361892222 [0,0,0,0,1,0|2,0,1]=4 78 B13R2.72 CC(=O)C1=COC2=C1C=CC=C2 Z1066258200 [0,0,0,0,1,0|2,0,1]=4 79 B13R2.72 CC(=O)C1=CSC2=C1C=CC=C2 Z370714364 [0,0,0,0,1,0|2,0,1]=4 80 B13R2.72 CC(=O)C1=NNC2=C1C=CC=C2 Z1198176576 [0,0,0,0,1,0|2,0,1]=4 81 B13R2.72 CC(C)C1=CNC2=C1C=CC=C2 Z1262562313 [0,0,0,0,1,0|1,0,0]=2 82 B13R2.72 CC(N)C1=CSC2=C1C=CC=C2 Z370714584 [0,0,0,0,1,0|1,0,0]=2 83 B13R2.72 CC(N)C1COC2=C1C=CC=C2 Z1493816383 [0,0,0,0,1,0|1,0,2]=4 84 B13R2.72 CC(O)C1=NNC2=C1C=CC=C2 Z1617999565 [0,0,0,0,1,0|2,0,0]=3 85 B13R2.72 N=C(N)C1=CNC2=C1C=CC=C2 Z3300708685 [0,0,0,0,1,0|1,0,1]=3 86 B13R2.72 NC(=O)C1=CNC2=C1C=CC=C2 Z87615024 [0,0,0,0,1,0|1,0,1]=3 87 B13R2.72 O=C(O)C1=CNC2=C1C=CC=C2 Z89283908 [0,0,0,0,1,0|2,0,1]=4 88 B15R2.6 CC(=O)CCC1=CNC2=C1C=CC=C2 Z276142282 [0,0,0,0,0,1|1,0,1]=3 89 B15R2.6 CC(C)CCN1C=NC2=C1C=CC=C2 Z56826120 [0,0,0,0,0,1|2,0,1]=4 90 B15R2.6 CN(C)CCC1=CNC2=C1N=CC=C2 Z5537309001 [0,0,0,0,0,1|3,0,0]=4 91 B15R2.6 N=C(N)NCC1=CSC2=C1C=CC=C2 Z1090048388 [0,0,0,0,0,1|2,0,1]=4 92 B15R2.6 NC(=O)CCC1=CNC2=C1C=CC=C2 Z33546345 [0,0,0,0,0,1|1,0,1]=3 93 B15R2.6 O=C(O)CCC1=CNC2=C1C=CC=C2 Z104482518 [0,0,0,0,0,1|2,0,1]=4 94 B15R2.1668 CC(C)NC1=CC2=C(C=CC=C2)N=C1 Z445356078 [0,0,0,0,0,1|2,0,1]=4 95 B15R2.1668 CC(C)SC1=NC2=C(C=CC=C2)C=C1 Z19647376 [0,0,0,0,0,1|3,0,0]=4 96 B15R2.1668 CC(N)CC1=CC2=C(C=CC=C2)C=C1 Z285143892 [0,0,0,0,0,1|1,0,0]=2 97 B15R2.1668 CC(N)CC1=NC2=C(C=CC=C2)C=C1 Z1696091757 [0,0,0,0,0,1|1,0,0]=2 98 B15R2.1668 N=C(N)CC1=NC2=C(C=CC=C2)C=C1 Z1272056498 [0,0,0,0,0,1|2,0,1]=4 99 B15R2.1668 NC(=O)CC1=CC2=C(C=CC=C2)C=C1 Z33546100 [0,0,0,0,0,1|2,0,1]=4 100 B15R2.68122 CC(C)SC1=C2C=CC=CC2=NC=N1 Z19315994 [0,0,0,0,0,1|2,0,1]=4 101 B12R1.125 CC(C)COC1=C(C=CC=C1)N Z239604732 [1,0,1,0,0,0|2,0,0]=4 102 B12R1.125 CC(N)COC1=C(C=CC=C1)F Z271016180 [1,0,1,0,0,0|2,0,0]=4 103 B12R1.125 CC1=C(C=CC=C1)OCC(C)N Z271016914 [1,0,1,0,0,0|1,0,1]=4 104 B12R1.107 CC(C)CC(=O)C1=CC=CC=C1 Z104484314 [1,0,1,0,0,0|2,0,0]=4 105 B12R1.107 CC(C)CC(N)C1=CC=CC=C1 Z85929891 [1,0,1,0,0,0|1,0,1]=4 106 B12R1.107 CC(N)CC(=O)C1=CC=CC=C1 Z1413780437 [1,0,1,0,0,0|1,0,0]=3 107 B12R1.107 CC(N)CC(O)C1=CC=CC=C1 Z1262623600 [1,0,1,0,0,0|1,0,1]=4 108 B12R1.107 CC(N)CN(C)C1=CC=CC=C1 Z815264124 [1,0,1,0,0,0|1,0,1]=4 109 B12R1.308 CCCC(=O)C1=C(C=CC=C1)Cl Z733415242 [1,0,1,0,0,0|2,0,0]=4 110 B12R1.308 CCCN(C)C1=C(C=CC=C1)N Z409202040 [1,0,1,0,0,0|1,0,1]=4 111 B12R1.308 CCNC(=O)C1=C(C=CC=C1)N Z99599872 [1,0,1,0,0,0|2,0,0]=4 112 B12R1.308 NCCC(=O)C1=C(C=CC=C1)N Z2037273395 [1,0,1,0,0,0|1,0,0]=3 113 B12R1.3 CCCC(C=O)C1=CC=CC=C1 Z1251357295 [1,0,1,0,0,0|1,0,1]=4 114 B12R2.1 CCC1=CNC2=C1C=CC=C2 Z1198159100 [2,0,0,0,0,0|0,0,0]=2 115 B12R2.1 CCN1C=NC2=C1C=CC=C2 Z53833304 [2,0,0,0,0,0|1,0,1]=4 116 B12R2.1 CSC1=CNC2=C1C=CC=C2 Z1262562193 [2,0,0,0,0,0|1,0,0]=3 117 B12R2.1 N#CC1=CNC2=C1C=CC=C2 Z57204989 [2,0,0,0,0,0|0,0,2]=4 118 B12R2.1 NCC1=C2C=CC=CN2N=C1 Z2065464373 [2,0,0,0,0,0|1,0,1]=4 119 B12R2.1 NCC1=CN=C2N1C=CC=C2 Z3234882063 [2,0,0,0,0,0|1,0,1]=4 120 B12R2.1 NCC1=CSC2=C1C=CC=C2 Z425459986 [2,0,0,0,0,0|1,0,0]=3 121 B12R2.1 NCC1=CSC2=C1N=CC=C2 Z1618144423 [2,0,0,0,0,0|2,0,0]=4 122 B12R2.1 NCC1=NOC2=C1C=CC=C2 Z1203581810 [2,0,0,0,0,0|2,0,0]=4 123 B12R2.1 NCC1=NSC2=C1C=CC=C2 Z2456396538 [2,0,0,0,0,0|2,0,0]=4 124 B12R2.1 O=CC1=CNC2=C1C=CC=C2 Z56785575 [2,0,0,0,0,0|1,0,1]=4 125 B12R2.1 OCC1=CNC2=C1C=CC=C2 Z85923165 [2,0,0,0,0,0|1,0,0]=3 126 B12R2.1 OCC1=CNC2=C1C=CN=C2 Z2471603543 [2,0,0,0,0,0|2,0,0]=4 127 B12R2.1 OCC1=CSC2=C1C=CC=C2 Z385370244 [2,0,0,0,0,0|2,0,0]=4 128 B14R1.423 CC(C)CNC(=O)NC1=CC=CC=C1 Z44603417 [0,1,1,0,0,0|2,0,0]=4 129 B14R1.423 CC(O)CNC(=O)NC1=CC=CC=C1 Z104955688 [0,1,1,0,0,0|2,0,0]=4 130 B14R1.423 C[C@H](O)CNC(=O)NC1=CC=CC=C1 Z1563512128 [0,1,1,0,0,0|2,0,0]=4 131 B14R2.3 CCNCC1=CNC2=C1C=CC=C2 Z1787158574 [1,1,0,0,0,0|0,0,0]=2 132 B14R2.3 COCCN1C=NC2=C1C=CC=C2 Z57187094 [1,1,0,0,0,0|1,0,1]=4 133 B14R2.3 NCCCC1=CNC2=C1C=CC=C2 Z275361382 [1,1,0,0,0,0|0,0,0]=2 134 B14R2.3 NCCCN1C=CC2=C1C=CC=C2 Z57032590 [1,1,0,0,0,0|2,0,0]=4 135 B14R2.3 NCCCN1C=NC2=C1C=CC=C2 Z850542590 [1,1,0,0,0,0|1,0,1]=4 136 B14R2.7 CC1=C2NC=C(C2=CC=C1)CC#N Z1198165196 [1,1,0,0,0,0|0,0,2]=4 137 B14R2.7 CC1=C2NC=C(C2=CC=C1)CCN Z1203159755 [1,1,0,0,0,0|0,0,0]=2 138 B14R2.7 N#CCC1=CNC2=C(C=CC=C12)Br Z1269155333 [1,1,0,0,0,0|0,0,2]=4 139 B14R2.7 N#CCC1=CNC2=C(C=CC=C12)Cl Z1198263975 [1,1,0,0,0,0|0,0,2]=4 140 B14R2.7 N#CCC1=CNC2=C(C=CC=C12)F Z1198266461 [1,1,0,0,0,0|0,0,2]=4 141 B14R2.7 NCCC1=CNC2=C1C=CC=C2Br Z3241252952 [1,1,0,0,0,0|0,0,0]=2 142 B14R2.7 NCCC1=CNC2=C1C=CC=C2Cl Z2690204189 [1,1,0,0,0,0|0,0,0]=2 143 B14R2.7 NCCC1=CNC2=C1C=CC=C2F Z2940229235 [1,1,0,0,0,0|0,0,0]=2 144 B14R2.95 CCC(C)N1C=NC2=C1C=CC=C2 Z56919006 [1,1,0,0,0,0|1,0,1]=4 145 B14R2.95 CNC(=O)C1=CNC2=C1C=CC=C2 Z234895483 [1,1,0,0,0,0|1,0,1]=4 146 B14R2.95 COC(=O)C1=CNC2=C1C=CC=C2 Z57164966 [1,1,0,0,0,0|1,0,1]=4 147 B14R2.95 NCC(=O)C1=CNC2=C1C=CC=C2 Z3218021616 [1,1,0,0,0,0|0,0,1]=3 148 B14R2.95 NNC(=O)C1=CNC2=C1C=CC=C2 Z56955973 [1,1,0,0,0,0|1,0,1]=4 149 B14R2.95 O=C(CCl)C1=CNC2=C1C=CC=C2 Z56886524 [1,1,0,0,0,0|1,0,1]=4 150 B14R2.467 CC1=CC2=C(C=C1)C(=CN2)CC#N Z410711548 [1,1,0,0,0,0|0,0,2]=4 151 B14R2.467 CC1=CC2=C(C=C1)C(=CN2)CCN Z410711590 [1,1,0,0,0,0|0,0,0]=2 152 B14R2.467 CCCC1=CNC2=C1C=CC(=C2)O Z1216831061 [1,1,0,0,0,0|0,0,0]=2 153 B14R2.467 CCCN1C=CC2=C1C=CC(=C2)N Z1262237261 [1,1,0,0,0,0|2,0,0]=4 154 B14R2.467 N#CCC1=CNC2=C1C=CC(=C2)Br Z978942444 [1,1,0,0,0,0|0,0,2]=4 155 B14R2.467 N#CCC1=CNC2=C1C=CC(=C2)Cl Z410711530 [1,1,0,0,0,0|0,0,2]=4 156 B14R2.467 N#CCC1=CNC2=C1C=CC(=C2)F Z410711556 [1,1,0,0,0,0|0,0,2]=4 157 B14R2.467 NCCC1=CNC2=C1C=CC(=C2)Br Z3235022918 [1,1,0,0,0,0|0,0,0]=2 158 B14R2.467 NCCC1=CNC2=C1C=CC(=C2)Cl Z234895789 [1,1,0,0,0,0|0,0,0]=2 159 B14R2.467 NCCC1=CNC2=C1C=CC(=C2)F Z2724334834 [1,1,0,0,0,0|0,0,0]=2 160 B14R2.467 NCCC1=NOC2=C1C=CC(=C2)F Z3664675098 [1,1,0,0,0,0|2,0,0]=4 161 B14R2.467 NCCN1C=CC2=C1C=CC(=C2)Cl Z1162449834 [1,1,0,0,0,0|2,0,0]=4 162 B14R2.467 NCCN1C=NC2=C1C=CC(=C2)Cl Z3247494572 [1,1,0,0,0,0|1,0,1]=4 163 B14R2.510 CN1C=C(C2=C1C=CC=C2)CC#N Z1198184446 [1,1,0,0,0,0|0,0,2]=4 164 B14R2.510 CN1C=C(C2=C1C=CC=C2)CCN Z2492749416 [1,1,0,0,0,0|0,0,0]=2 165 B14R2.510 CN1N=C(C2=C1C=CC=C2)CCN Z1268480764 [1,1,0,0,0,0|1,0,0]=3 166 B14R2.517 CC1=C(C2=C(N1)C=CC=C2)CC#N Z57921853 [1,1,0,0,0,0|0,0,2]=4 167 B14R2.517 CC1=C(C2=C(N1)C=CC=C2)CCN Z336079656 [1,1,0,0,0,0|0,0,0]=2 168 B14R2.517 CC1=NC2=C(N1CCN)C=CC=C2 Z94602045 [1,1,0,0,0,0|1,0,1]=4 169 B14R2.517 CCCN1C(=NC2=C1C=CC=C2)N Z56862261 [1,1,0,0,0,0|1,0,1]=4 170 B14R2.517 CCCN1C(=NC2=C1C=CC=C2)S Z56821176 [1,1,0,0,0,0|1,0,1]=4 171 B14R2.517 CCCN1C(=O)NC2=C1C=CC=C2 Z56791853 [1,1,0,0,0,0|1,0,0]=3 172 B14R2.517 CNCC1=C(OC2=C1C=CC=C2)C Z3014621565 [1,1,0,0,0,0|2,0,0]=4 173 B14R2.517 NCCC1C(=O)NC2=C1C=CC=C2 Z235344885 [1,1,0,0,0,0|0,0,1]=3 174 B14R2.517 NCCN1C(=O)CC2=C1C=CC=C2 Z4447090207 [1,1,0,0,0,0|2,0,0]=4 175 B14R2.517 NCCN1C(=O)NC2=C1C=CC=C2 Z1354416053 [1,1,0,0,0,0|1,0,0]=3 176 B14R2.517 NCCN1C(=O)OC2=C1C=CC=C2 Z234897259 [1,1,0,0,0,0|2,0,0]=4 177 B14R2.6368 CC1=C2C(=CNC2=CC=C1)CC#N Z410711540 [1,1,0,0,0,0|0,0,2]=4 178 B14R2.6368 CC1=C2C(=CNC2=CC=C1)CCN Z234896787 [1,1,0,0,0,0|0,0,0]=2 179 B14R2.6368 CC1=C2C(=CNC2=NC=C1)CCN Z2752645312 [1,1,0,0,0,0|1,0,0]=3 180 B14R2.6368 N#CCC1=CNC2=CC=CC(=C12)Br Z1269165311 [1,1,0,0,0,0|0,0,2]=4 181 B14R2.6368 N#CCC1=CNC2=CC=CC(=C12)Cl Z1198155856 [1,1,0,0,0,0|0,0,2]=4 182 B14R2.6368 NCCC1=CNC2=C1C(=CC=C2)Br Z2130641487 [1,1,0,0,0,0|0,0,0]=2 183 B14R2.6368 NCCC1=CNC2=C1C(=CC=C2)F Z3301406433 [1,1,0,0,0,0|0,0,0]=2 184 B14R2.6419 CC1=CC2=C(C=C1)NC=C2CCN Z2106599153 [1,1,0,0,0,0|0,0,0]=2 185 B14R2.6419 CC1=NC2=C(C=C1)NC=C2CCN Z2798529206 [1,1,0,0,0,0|1,0,0]=3 186 B14R2.6419 N#CCC1=CNC2=C1C=C(C=C2)Br Z410711512 [1,1,0,0,0,0|0,0,2]=4 187 B14R2.6419 N#CCC1=CNC2=C1C=C(C=C2)Cl Z1162450204 [1,1,0,0,0,0|0,0,2]=4 188 B14R2.6419 N#CCC1=CNC2=C1C=C(C=C2)F Z1160903139 [1,1,0,0,0,0|0,0,2]=4 189 B14R2.6419 N#CCC1=CNC2=C1C=C(C=C2)N Z1255366408 [1,1,0,0,0,0|0,0,2]=4 190 B14R2.6419 N#CCC1=CNC2=C1C=C(C=C2)O Z1198149461 [1,1,0,0,0,0|0,0,2]=4 191 B14R2.6419 NCCC1=CNC2=C1C=C(C=C2)Br Z2760930339 [1,1,0,0,0,0|0,0,0]=2 192 B14R2.6419 NCCC1=CNC2=C1C=C(C=C2)Cl Z1266933935 [1,1,0,0,0,0|0,0,0]=2 193 B14R2.6419 NCCC1=CNC2=C1C=C(C=C2)F Z1741960310 [1,1,0,0,0,0|0,0,0]=2 194 B14R2.6419 NCCC1=CNC2=C1C=C(C=C2)O Z1741979085 [1,1,0,0,0,0|0,0,0]=2 195 B14R2.6419 NCCC1=CNC2=C1C=C(C=N2)F Z3386766102 [1,1,0,0,0,0|1,0,0]=3 196 B14R2.6419 NCCC1=CSC2=C1C=C(C=C2)Br Z1269157473 [1,1,0,0,0,0|1,0,0]=3 197 B14R2.286 CC(C)(C)C1=CNC2=C1C=CC=C2 Z1262562296 [0,1,0,0,1,0|1,0,0]=3 198 B14R2.286 CC(C)(O)C1=CNC2=C1C=CC=C2 Z2042092351 [0,1,0,0,1,0|1,0,0]=3 199 B14R2.300 CC(=O)C1=CNC2=C1C=CC(=C2)Br Z916008286 [0,1,0,0,1,0|1,0,1]=4 200 B14R2.300 CC(=O)C1=CNC2=C1C=CC(=C2)Cl Z385445058 [0,1,0,0,1,0|1,0,1]=4 201 B14R2.300 CC(=O)C1=CNC2=C1C=CC(=C2)F Z234897299 [0,1,0,0,1,0|1,0,1]=4 202 B14R2.300 NC(=O)C1=CNC2=C1C=CC(=C2)N Z2517097636 [0,1,0,0,1,0|1,0,1]=4 203 B14R2.642 CC(=O)C1=C(NC2=C1C=CC=C2)C Z57205010 [0,1,0,0,1,0|1,0,1]=4 204 B14R2.5816 CC(=O)C1=CNC2=C1C=C(C=C2)Br Z382706242 [0,1,0,0,1,0|1,0,1]=4 205 B14R2.5816 CC(=O)C1=CNC2=C1C=C(C=C2)C Z1138836442 [0,1,0,0,1,0|1,0,1]=4 206 B14R2.8032 CC(=O)C1=CNC2=C1C=CC=C2Br Z1322792947 [0,1,0,0,1,0|1,0,1]=4 207 B14R2.8032 CC(=O)C1=CNC2=C1C=CC=C2C Z1198233123 [0,1,0,0,1,0|1,0,1]=4 208 B14R2.8053 CC(=O)C1=CNC2=C1C(=CC=C2)Br Z1322794803 [0,1,0,0,1,0|1,0,1]=4 209 B14R2.25733 CC(=O)C1=CN(C2=C1C=CC=C2)C Z57070074 [0,1,0,0,1,0|1,0,1]=4 210 B14R2.25733 CN1C=C(C2=C1C=CC=C2)C(=O)N Z101185994 [0,1,0,0,1,0|1,0,1]=4 211 B16R2.12 CN(C)C(=O)CC1=CNC2=C1C=CC=C2 Z32014417 [0,1,0,0,0,1|2,0,0]=4 212 B16R2.14 CNC(=O)CCC1=CNC2=C1C=CC=C2 Z32016249 [0,1,0,0,0,1|1,0,1]=4 213 B16R2.14 COC(=O)CCC1=CNC2=C1C=CC=C2 Z13758675 [0,1,0,0,0,1|1,0,1]=4 214 B16R2.520 CC(C)OC(=O)C1=CNC2=C1C=CC=C2 Z210705246 [0,1,0,0,0,1|1,0,1]=4 215 B16R2.2947 CC(C)(C)NCC1=CNC2=C1C=CN=C2 Z3817321828 [0,1,0,0,0,1|2,0,0]=4 216 B16R2.4003 CC(C)CCN1C(=O)NC2=C1C=CC=C2 Z57114987 [0,1,0,0,0,1|2,0,0]=4 217 B16R2.15551 CN(C)CCC1=CNC2=C1C=C(C=C2)Br Z4439411857 [0,1,0,0,0,1|2,0,0]=4 218 B16R2.15551 CN(C)CCC1=CNC2=C1C=C(C=C2)N Z4606621023 [0,1,0,0,0,1|2,0,0]=4 219 B16R2.3989 NC(=O)CC1=CC2=C(C=CC=C2)NC1=O Z458888656 [0,1,0,0,0,1|1,0,1]=4 220 B16R2.6284 CC(O)C(C)C1=NC2=C(C=CC=C2)C=C1 Z1098230195 [0,1,0,0,0,1|2,0,0]=4 221 B16R2.3 CC(N)(CO)CN1C=NC2=C1C=CC=C2 Z2941504127 [0,2,0,0,0,0|1,0,1]=4 222 B16R2.2224 CSC(C)C(=O)C1=CNC2=C1C=CC=C2 Z599630622 [0,2,0,0,0,0|1,0,1]=4 223 B16R2.33556 CCC(N)CC1=CN(C2=C1C=CC=C2)C Z2719882774 [0,2,0,0,0,0|0,0,0]=2 224 B16R2.176317 COC(=O)CC1=CNC2=C1C(=CC=C2)Cl Z1509586342 [0,2,0,0,0,0|1,0,1]=4 225 B16R2.2804 NC(C1=CNC2=C1C=CC=C2)C(F)(F)F Z595655646 [0,2,0,0,0,0|2,0,0]=4 226 B16R2.2977 CC(C)(N)CC1=CNC2=C1C=CC(=C2)Br Z1509517053 [0,2,0,0,0,0|0,0,0]=2 227 B16R2.2977 CC1=CC2=C(C=C1)C(=CN2)CC(C)(C)N Z1509175185 [0,2,0,0,0,0|0,0,0]=2 228 B16R2.15533 CC(C)(N)CC1=CNC2=C1C=C(C=C2)Br Z3461683569 [0,2,0,0,0,0|0,0,0]=2 229 B16R2.22622 CC(C)(N)CC1=CNC2=C1C=CC=C2Br Z3477787946 [0,2,0,0,0,0|0,0,0]=2 230 B16R2.22905 CC(C)(N)CC1=CNC2=C1C(=CC=C2)Br Z3477782909 [0,2,0,0,0,0|0,0,0]=2 231 B16R2.13690 CC(N)CC1=CNC2=C1C=C(C(=C2)F)F Z3068483325 [0,2,0,0,0,0|0,0,0]=2 232 B16R2.13690 CC1=CC2=C(C=C1C)N(C=N2)CC(C)N Z1695709441 [0,2,0,0,0,0|1,0,1]=4 233 B16R2.4002 CC1=C(C2=C(N1)C=CC=C2)C(=O)C(C)Cl Z56948413 [0,2,0,0,0,0|1,0,1]=4 234 B16R2.104521 CC(C)C(=O)C1=CN(C2=C1C=CC=C2)C Z385430506 [0,2,0,0,0,0|1,0,1]=4 235 B16R2.42567 COC1=CC2=C(C=C1)NC=C2CC(=O)N Z407486572 [0,2,0,0,0,0|1,0,1]=4 236 B16R2.36851 COC1=C2C(=CNC2=CC=C1)CN(C)C Z1509145431 [0,2,0,0,0,0|2,0,0]=4 237 B14R2.781 CC(N)C1=CC2=C(C=CC=C2)C=C1 Z56347252 [0,0,1,1,0,0|1,0,1]=4 238 B14R2.21 NC1CCCN(C1)C2=CC=CC=C2 Z839143284 [0,0,1,1,0,0|0,0,2]=4 239 B14R2.31359 CC(N)C1=C2C=CC=CC2=CC=C1 Z104493614 [0,0,1,1,0,0|1,0,1]=4 240 B14R2.768 CC(N)CC1=CC2=C(S1)C=CC=C2 Z5470075707 [0,0,1,1,0,0|2,0,0]=4 241 B14R2.598 NC1CC(=O)N(C1)C2=CC=CC=C2 Z425867776 [0,0,1,1,0,0|2,0,0]=4 242 B14R3.49 C1=CC2=C(C=C1)C3=C(N2)CCC3 Z57479476 [1,0,0,1,0,0|0,0,0]=2 243 B14R3.49 C1=CC2=C(C=C1)N3CCCC3=N2 Z1198156372 [1,0,0,1,0,0|1,0,1]=4 244 B14R3.49 C1=CC2=C(C=C1)N3CCNC3=N2 Z56854350 [1,0,0,1,0,0|1,0,1]=4 245 B14R3.3059 C1=CC2=C(C=C1)C3(CCC3)CN2 Z1836338847 [1,0,0,1,0,0|0,0,2]=4 246 B16R3.1814 C1=CC2=C(C=C1)C(=CS2)CNC3CC3 Z211320428 [0,0,0,1,0,1|2,0,0]=4 247 B16R3.5186 N[C@@H]1C[C@H]1C2=CC3=C(C=CC=C3)C=C2 Z2298098008 [0,0,0,1,0,1|1,0,0]=3 248 B16R3.63903 C1=CC2=C(C=C1)C=C(C=C2)CC3CO3 Z1495386084 [0,0,0,1,0,1|2,0,0]=4 249 B16R3.31 N[C@@H]1C[C@H]1C2=C3C=CC=CC3=CC=C2 Z2298098025 [0,0,0,1,0,1|1,0,0]=3 250 B12R1.75 CSC1=C(C=CC=C1)CC(C)N Z3067374118 [0,0,1,0,1,0|1,0,1]=4 251 B12R1.252 CC(N)COCC1=CC=CC=C1 Z271012730 [0,0,1,0,1,0|1,0,1]=4 252 B14R2.112 CCNC1=CC2=C(C=CC=C2)C=C1 Z286374752 [1,0,0,0,0,1|2,0,0]=4 253 B14R2.112 CCOC1=CC2=C(C=CC=C2)C=C1 Z53835291 [1,0,0,0,0,1|2,0,0]=4 254 B14R2.112 CNCC1=NC2=C(C=CC=C2)C=C1 Z5065258661 [1,0,0,0,0,1|2,0,0]=4 255 B14R2.112 NCCC1=CC2=C(C=CC=C2)C=C1 Z381785718 [1,0,0,0,0,1|1,0,0]=3 256 B14R2.112 OCCC1=CC2=C(C=CC=C2)C=C1 Z397587214 [1,0,0,0,0,1|2,0,0]=4 257 B14R2.112 OCCC1=NC2=C(C=CC=C2)C=C1 Z1198157695 [1,0,0,0,0,1|2,0,0]=4 258 B14R2.7150 CCOC1=C2C=CC=CC2=CC=C1 Z55021536 [1,0,0,0,0,1|2,0,0]=4 259 B14R2.7150 CCSC1=C2C=CC=CC2=NC=N1 Z19315993 [1,0,0,0,0,1|1,0,1]=4 260 B14R2.7150 CNCC1=C2C=CC=CC2=CC=C1 Z445129424 [1,0,0,0,0,1|2,0,0]=4 261 B14R2.7150 NCCC1=C2C=CC=CC2=CC=C1 Z285143746 [1,0,0,0,0,1|1,0,0]=3 262 B14R2.7150 NCCC1=C2C=CC=NC2=CC=C1 Z3241223114 [1,0,0,0,0,1|2,0,0]=4 263 B14R2.7150 NNCC1=C2C=CC=CC2=CC=C1 Z406679924 [1,0,0,0,0,1|2,0,0]=4 264 B14R2.7150 OCCC1=C2C=CC=CC2=NC=C1 Z1198313078 [1,0,0,0,0,1|1,0,1]=4 265 B16R2.36 CC(=O)NCCC1=CNC2=C1C=CC=C2 Z26395416 [0,0,0,0,0,2|1,0,1]=4 266 B16R2.36 CC(C)CNCC1=CSC2=C1C=CC=C2 Z211320908 [0,0,0,0,0,2|2,0,0]=4 267 B16R2.36 N=C(N)NCCC1=CNC2=C1C=CC=C2 Z1089997728 [0,0,0,0,0,2|1,0,1]=4 268 B16R2.179941 CC(C)CNC1=C2C=CC=CC2=NC=N1 Z127089674 [0,0,0,0,0,2|1,0,1]=4 269 B16R2.179941 CC(O)CNC1=C2C=CC=CC2=NC=N1 Z127167568 [0,0,0,0,0,2|1,0,1]=4