0 B12R1.16 C1=CC(=CC=C1C(=O)CC#N)Br PI-14507 [0,0,0,0,0,0|3,0,1]=4 1 B12R1.16 C1=CC(=CC=C1C(=O)CC#N)I PI-50638 [0,0,0,0,0,0|3,0,1]=4 2 B12R1.16 C1=CC(=CC=C1C(=O)CCCl)Br PI-17566 [0,0,0,0,0,0|3,0,0]=3 3 B12R1.16 C1=CC(=CC=C1C(=O)CCCl)Cl PI-12841 [0,0,0,0,0,0|3,0,0]=3 4 B12R1.16 C1=CC(=CC=C1C(=O)CCCl)F PI-28418 [0,0,0,0,0,0|3,0,0]=3 5 B12R1.16 C1=CC(=CC=C1C(=O)N=C=S)Cl PI-23161 [0,0,0,0,0,0|3,0,1]=4 6 B12R1.16 CC1=CC=C(C=C1)C(=O)CC#N PI-29894 [0,0,0,0,0,0|3,0,1]=4 7 B12R1.16 CC1=CC=C(C=C1)C(=O)CCCl PI-12818 [0,0,0,0,0,0|3,0,0]=3 8 B12R1.16 CCCC(=O)C1=CC=C(C=C1)F PI-26766 [0,0,0,0,0,0|2,0,0]=2 9 B12R1.16 CCCC(=O)C1=CC=C(C=C1)O PI-31007 [0,0,0,0,0,0|2,0,0]=2 10 B12R1.16 CCOC(=N)c1ccc(cc1)Br PI-36927 [0,0,0,0,0,0|2,0,0]=2 11 B12R1.16 CCOC(=O)C1=CC=C(C=C1)Br PI-50243 [0,0,0,0,0,0|1,0,0]=1 12 B12R1.16 CCOC(=O)C1=CC=C(C=C1)C PI-50598 [0,0,0,0,0,0|1,0,0]=1 13 B12R1.16 CCOC(=O)C1=CC=C(C=C1)Cl PI-34232 [0,0,0,0,0,0|1,0,0]=1 14 B12R1.16 CCOC(=O)C1=CC=C(C=C1)F PI-16489 [0,0,0,0,0,0|1,0,0]=1 15 B12R1.16 CCOC(=O)C1=CC=C(C=C1)N PI-12742 [0,0,0,0,0,0|0,0,0]=0 16 B12R1.16 CCOC(=O)C1=CN=C(C=C1)C PI-40838 [0,0,0,0,0,0|2,0,0]=2 17 B12R1.16 CCOC(=O)C1=CN=C(C=C1)Cl PI-16734 [0,0,0,0,0,0|2,0,0]=2 18 B12R1.16 CCOC(=O)C1=CN=C(C=C1)N PI-31799 [0,0,0,0,0,0|1,0,0]=1 19 B12R1.16 CCOC(=O)C1=NC=C(C=C1)N PI-31925 [0,0,0,0,0,0|1,0,0]=1 20 B12R1.16 CCOC(=O)C1=NC=C(N=C1)C PI-50302 [0,0,0,0,0,0|3,0,0]=3 21 B12R1.16 CCOC(=O)c1ccc(cc1)N PI-38042 [0,0,0,0,0,0|0,0,0]=0 22 B12R1.16 COCC(=O)C1=CC=C(C=C1)O PI-44114 [0,0,0,0,0,0|3,0,0]=3 23 B12R1.16 N#CCC(=O)c1ccc(Cl)cc1 PI-23155 [0,0,0,0,0,0|3,0,1]=4 24 B12R1.16 N#CCC(=O)c1ccc(cc1)F PI-23466 [0,0,0,0,0,0|3,0,1]=4 25 B12R1.16 O=C(C1=CN=C(Cl)N=C1)OCC PI-37399 [0,0,0,0,0,0|3,0,0]=3 26 B11R1.1 C1=CC(=CC=C1N)OCCCl PI-47269 [1,0,0,0,0,0|3,0,0]=4 27 B11R1.1 CCCCC1=CC=C(C=C1)C PI-19171 [1,0,0,0,0,0|2,0,1]=4 28 B11R1.1 CCCCC1=CC=C(C=C1)O PI-11971 [1,0,0,0,0,0|2,0,1]=4 29 B11R1.1 CCCCc1ccc(Br)cc1 PI-30595 [1,0,0,0,0,0|2,0,1]=4 30 B11R1.1 CCCOC1=CC=C(C=C1)Br PI-30574 [1,0,0,0,0,0|3,0,0]=4 31 B11R1.1 CCCOc1ccc(cc1)O PI-16211 [1,0,0,0,0,0|3,0,0]=4 32 B11R1.1 CCOCC1=CN=C(C=C1)N PI-44053 [1,0,0,0,0,0|1,0,1]=3 33 B11R1.16 C1=CC(=CN=C1)C(=O)NCO PI-10800 [1,0,0,0,0,0|3,0,0]=4 34 B11R1.16 C1=CC=C(C=C1)C(=O)N=C=O PI-50644 [1,0,0,0,0,0|2,0,1]=4 35 B11R1.16 C=COC(=O)C1=CC=CC=C1 PI-44652 [1,0,0,0,0,0|0,0,2]=3 36 B11R1.16 CCCC(C1=CC=CC=C1)O PI-19327 [1,0,0,0,0,0|1,0,2]=4 37 B11R1.16 CCCC(C1=CC=CC=C1)O PI-19763 [1,0,0,0,0,0|1,0,2]=4 38 B11R1.16 CCOC(=N)C1=CC=CC=C1 PI-46544 [1,0,0,0,0,0|1,0,0]=2 39 B11R1.16 CCOC(=O)C1=CC=NC=C1 PI-33278 [1,0,0,0,0,0|1,0,0]=2 40 B11R1.16 CCOC(=O)C1=CN=CC=C1 PI-39994 [1,0,0,0,0,0|1,0,0]=2 41 B11R1.16 CCOC(=O)c1ccccn1 PI-33276 [1,0,0,0,0,0|1,0,0]=2 42 B11R1.16 CNOC(=O)C1=CC=CC=C1 PI-46922 [1,0,0,0,0,0|1,0,0]=2 43 B11R1.16 COCC(=O)c1ccccc1 PI-11856 [1,0,0,0,0,0|2,0,0]=3 44 B11R1.16 ClCCC(=O)c1ccccc1 PI-11246 [1,0,0,0,0,0|2,0,0]=3 45 B11R1.16 N#CCC(=O)c1ccccc1 PI-14837 [1,0,0,0,0,0|2,0,1]=4 46 B11R1.16 O=C(OCCl)C1=CC=CC=C1 PI-40036 [1,0,0,0,0,0|1,0,0]=2 47 B11R1.16 O\N=C\C(=O)c1ccccc1 PI-29665 [1,0,0,0,0,0|3,0,0]=4 48 B11R1.16 S=C=NC(=O)c1ccccc1 PI-14851 [1,0,0,0,0,0|2,0,1]=4 49 B11R1.22 BrC1=CC=C(C(CBr)=O)C=N1 PI-41793 [1,0,0,0,0,0|3,0,0]=4 50 B11R1.22 BrCC(=O)c1ccc(F)cc1 PI-16507 [1,0,0,0,0,0|2,0,0]=3 51 B11R1.22 BrCC(=O)c1ccc(cc1)Cl PI-12174 [1,0,0,0,0,0|2,0,0]=3 52 B11R1.22 C1=CC(=CC=C1C(=O)C=O)Br PI-41036 [1,0,0,0,0,0|2,0,1]=4 53 B11R1.22 C1=CC(=CC=C1C(=O)C=O)Cl PI-33167 [1,0,0,0,0,0|2,0,1]=4 54 B11R1.22 C1=CC(=CC=C1C(=O)C=O)F PI-41037 [1,0,0,0,0,0|2,0,1]=4 55 B11R1.22 C1=CC(=CC=C1C(=O)CBr)O PI-10322 [1,0,0,0,0,0|2,0,0]=3 56 B11R1.22 C1=CC(=CC=C1C(=O)CCl)F PI-28553 [1,0,0,0,0,0|2,0,0]=3 57 B11R1.22 C1=CC(=CC=C1C(=O)CF)Cl PI-30480 [1,0,0,0,0,0|2,0,0]=3 58 B11R1.22 C1=CC(=CC=C1C(=O)CN)Br PI-29690 [1,0,0,0,0,0|2,0,0]=3 59 B11R1.22 C1=CC(=CC=C1C(=O)CN)Cl PI-16147 [1,0,0,0,0,0|2,0,0]=3 60 B11R1.22 C1=CC(=CC=C1C(=O)CN)F PI-10226 [1,0,0,0,0,0|2,0,0]=3 61 B11R1.22 C1=CC(=CC=C1C(=O)CN)O PI-49411 [1,0,0,0,0,0|2,0,0]=3 62 B11R1.22 C1=CC(=CC=C1C(=O)CO)Br PI-30487 [1,0,0,0,0,0|2,0,0]=3 63 B11R1.22 C1=CC(=CC=C1C(=O)CO)Cl PI-30418 [1,0,0,0,0,0|2,0,0]=3 64 B11R1.22 C1=CC(=CC=C1C(=O)CO)F PI-30583 [1,0,0,0,0,0|2,0,0]=3 65 B11R1.22 C1=CC(=CC=C1C(=O)NN)Br PI-20532 [1,0,0,0,0,0|3,0,0]=4 66 B11R1.22 C1=CC(=CC=C1C(=O)NN)F PI-23456 [1,0,0,0,0,0|3,0,0]=4 67 B11R1.22 C1=CC(=CC=C1C(=O)NN)I PI-50270 [1,0,0,0,0,0|3,0,0]=4 68 B11R1.22 C1=CC(=CC=C1C(=O)NN)N PI-50237 [1,0,0,0,0,0|2,0,0]=3 69 B11R1.22 C1=CC(=CC=C1C(=O)NN)O PI-50238 [1,0,0,0,0,0|3,0,0]=4 70 B11R1.22 C1=CC(=NC=C1C(=O)NN)N PI-36889 [1,0,0,0,0,0|3,0,0]=4 71 B11R1.22 C1=CC(=NC=C1C(OC)=O)Cl PI-16721 [1,0,0,0,0,0|2,0,0]=3 72 B11R1.22 CC1=CC=C(C=C1)C(=O)CBr PI-27801 [1,0,0,0,0,0|2,0,0]=3 73 B11R1.22 CC1=CC=C(C=C1)C(=O)CN PI-30703 [1,0,0,0,0,0|2,0,0]=3 74 B11R1.22 CC1=CC=C(C=C1)C(=O)NN PI-24359 [1,0,0,0,0,0|3,0,0]=4 75 B11R1.22 CC1=CC=C(C=C1)C(=O)OC PI-50597 [1,0,0,0,0,0|1,0,0]=2 76 B11R1.22 CCC(=O)C1=CC=C(C=C1)Br PI-12718 [1,0,0,0,0,0|1,0,0]=2 77 B11R1.22 CCC(=O)C1=CC=C(C=C1)N PI-17560 [1,0,0,0,0,0|0,0,0]=1 78 B11R1.22 CCN(C1=CC=C(C=C1)C)N PI-29774 [1,0,0,0,0,0|3,0,0]=4 79 B11R1.22 CNC(=O)c1ccc(cc1)N PI-38046 [1,0,0,0,0,0|1,0,0]=2 80 B11R1.22 COC(=O)C1=CC=C(C=C1)Br PI-11276 [1,0,0,0,0,0|1,0,0]=2 81 B11R1.22 COC(=O)C1=CC=C(C=C1)I PI-18765 [1,0,0,0,0,0|1,0,0]=2 82 B11R1.22 COC(=O)C1=CC=C(C=C1)N PI-12227 [1,0,0,0,0,0|0,0,0]=1 83 B11R1.22 COC(=O)C1=CN=C(C=C1)Br PI-48738 [1,0,0,0,0,0|2,0,0]=3 84 B11R1.22 COC(=O)C1=CN=C(C=N1)Cl PI-35905 [1,0,0,0,0,0|3,0,0]=4 85 B11R1.22 COC(=O)C1=CN=C(N=C1)Cl PI-40861 [1,0,0,0,0,0|3,0,0]=4 86 B11R1.22 COC(=O)c1ccc(=O)oc1 PI-27764 [1,0,0,0,0,0|2,0,0]=3 87 B11R1.22 COC(=O)c1ccc(Cl)cc1 PI-30070 [1,0,0,0,0,0|1,0,0]=2 88 B11R1.22 COC(=O)c1ccc(O)cn1 PI-36864 [1,0,0,0,0,0|2,0,0]=3 89 B11R1.22 COC(=O)c1ccc(cn1)Br PI-36861 [1,0,0,0,0,0|2,0,0]=3 90 B11R1.22 COC(=O)c1ccc(nc1)C PI-10340 [1,0,0,0,0,0|2,0,0]=3 91 B11R1.22 COC(=O)c1cnc(C)cn1 PI-25000 [1,0,0,0,0,0|3,0,0]=4 92 B11R1.22 NC1=CC=C(C([O-4][K+2])=O)C=C1 PI-50445 [1,0,0,0,0,0|1,0,0]=2 93 B11R1.22 NNC(=O)c1ccc(cc1)Cl PI-23138 [1,0,0,0,0,0|3,0,0]=4 94 B11R1.22 O=C(C#N)C1=CC=C(Cl)C=C1 PI-40041 [1,0,0,0,0,0|2,0,1]=4 95 B11R1.22 O=C(OC)C1=CC=C(F)C=C1 PI-16967 [1,0,0,0,0,0|1,0,0]=2 96 B11R1.22 O=C(OC)C1=CN=C(N)C=C1 PI-35070 [1,0,0,0,0,0|1,0,0]=2 97 B13R1.17 C1=CC(=CC=C1C(=O)CCCCl)F PI-28473 [0,1,0,0,0,0|2,0,0]=3 98 B13R1.17 C1=CC(=CC=C1C(=O)CCCCl)O PI-19859 [0,1,0,0,0,0|2,0,0]=3 99 B13R1.17 C1=CC(=CC=C1C(=O)NCCO)N PI-28631 [0,1,0,0,0,0|1,0,0]=2 100 B13R1.17 C1=CC(=NC=C1Cl)C(=O)NCCN PI-44007 [0,1,0,0,0,0|3,0,0]=4 101 B13R1.17 CCCCC(=O)C1=CC=C(C=C1)Br PI-26872 [0,1,0,0,0,0|2,0,0]=3 102 B13R1.17 CCCCC(=O)C1=CC=C(C=C1)Cl PI-12720 [0,1,0,0,0,0|2,0,0]=3 103 B13R1.17 CCCCC(=O)C1=CC=C(C=C1)O PI-12345 [0,1,0,0,0,0|2,0,0]=3 104 B13R1.17 NCCNC(=O)c1ccc(cc1)Cl PI-30987 [0,1,0,0,0,0|2,0,0]=3 105 B13R1.29 CC1=CC=C(C=C1)S(=O)(=O)OCF PI-46453 [0,1,0,0,0,0|3,0,0]=4 106 B13R1.29 CCNS(=O)(=O)C1=CC=C(C=C1)Br PI-19281 [0,1,0,0,0,0|3,0,0]=4 107 B13R1.29 CCNS(=O)(=O)C1=CC=C(C=C1)N PI-15892 [0,1,0,0,0,0|2,0,0]=3 108 B13R1.132 CC(=O)CC(=O)C1=CC=C(Br)C=C1 PI-40768 [0,1,0,0,0,0|2,0,1]=4 109 B13R1.132 CC(=O)CC(=O)C1=CC=C(C=C1)F PI-38943 [0,1,0,0,0,0|2,0,1]=4 110 B13R1.132 CC(C)OC(=O)C1=CC=C(C=C1)O PI-13839 [0,1,0,0,0,0|1,0,0]=2 111 B13R1.132 O=C(OC(C)C)C1=CC=C(N)C=C1 PI-19238 [0,1,0,0,0,0|0,0,0]=1 112 B13R1.452 CCOC(=O)C1=CC=C(C=C1)C#N PI-18851 [0,1,0,0,0,0|0,0,1]=2 113 B13R1.452 CCOC(=O)C1=CC=C(C=C1)C=C PI-49775 [0,1,0,0,0,0|1,0,0]=2 114 B13R1.452 CCOC(=O)C1=CC=C(C=C1)CBr PI-22127 [0,1,0,0,0,0|1,0,0]=2 115 B13R1.452 CCOC(=O)C1=CN=C(N=C1)SC PI-40258 [0,1,0,0,0,0|3,0,0]=4 116 B13R1.452 CCOC(=O)c1ccc(OC)cc1 PI-31767 [0,1,0,0,0,0|1,0,0]=2 117 B13R1.452 CCOC(=O)c1ccc(cc1)CCl PI-24058 [0,1,0,0,0,0|1,0,0]=2 118 B13R1.452 COC1=CC=C(C=C1)C(=O)CCCl PI-12838 [0,1,0,0,0,0|3,0,0]=4 119 B13R1.466 CCOC(=O)C1=CC(=C(C=C1)F)Cl PI-50618 [0,1,0,0,0,0|1,0,0]=2 120 B13R1.466 CCOC(=O)C1=CC(=C(C=C1)F)F PI-22083 [0,1,0,0,0,0|1,0,0]=2 121 B13R1.466 CCOC(=O)C1=CC(=C(C=C1)F)N PI-27604 [0,1,0,0,0,0|1,0,0]=2 122 B13R1.466 CCOC(=O)C1=CC(=C(C=C1)N)Br PI-50672 [0,1,0,0,0,0|0,0,0]=1 123 B13R1.466 CCOC(=O)C1=CC(=C(C=C1)N)N PI-29525 [0,1,0,0,0,0|0,0,0]=1 124 B13R1.466 CCOC(=O)C1=CC(=C(C=C1)O)O PI-22087 [0,1,0,0,0,0|1,0,0]=2 125 B13R1.466 CCOC(=O)C1=CC(=O)C(=CO1)O PI-48400 [0,1,0,0,0,0|2,0,0]=3 126 B13R1.1511 CCCC(=O)C1=C(C=C(C=C1)Cl)Cl PI-40217 [0,1,0,0,0,0|2,0,0]=3 127 B13R1.1511 CCOC(=O)C1=C(C=C(C=C1)Br)F PI-50619 [0,1,0,0,0,0|1,0,0]=2 128 B13R1.1511 CCOC(=O)C1=C(C=C(C=C1)C)C PI-19461 [0,1,0,0,0,0|1,0,0]=2 129 B13R1.1511 CCOC(=O)C1=C(C=C(C=C1)Cl)F PI-50620 [0,1,0,0,0,0|1,0,0]=2 130 B13R1.1511 CCOC(=O)C1=C(C=C(C=C1)F)F PI-29056 [0,1,0,0,0,0|1,0,0]=2 131 B13R1.1511 CCOC(=O)C1=C(C=C(C=C1)O)O PI-50278 [0,1,0,0,0,0|1,0,0]=2 132 B13R1.1511 CCOC(=O)C1=C(NC(=S)N=C1)N PI-19903 [0,1,0,0,0,0|3,0,0]=4 133 B13R1.1511 CCOC(=O)C1=CN=C(C=C1Cl)Cl PI-44720 [0,1,0,0,0,0|2,0,0]=3 134 B13R1.1511 CCOC(=O)C1=CN=C(NC1=O)C PI-20821 [0,1,0,0,0,0|3,0,0]=4 135 B13R1.1511 CCOC(=O)C1=CNC(=S)NC1=O PI-21339 [0,1,0,0,0,0|3,0,0]=4 136 B13R1.1511 CCOC(=O)c1c(C)cc(=O)oc1 PI-15704 [0,1,0,0,0,0|2,0,0]=3 137 B13R1.1511 CCOC(=O)c1cnc(Cl)nc1Cl PI-36492 [0,1,0,0,0,0|3,0,0]=4 138 B13R1.1511 CCOC(=O)c1cnc(N)nc1O PI-30170 [0,1,0,0,0,0|2,0,0]=3 139 B13R1.1511 CCOC(=O)c1cnc(cc1N)Cl PI-39006 [0,1,0,0,0,0|2,0,0]=3 140 B13R1.1511 CCOC(=O)c1cnc(cc1O)O PI-36937 [0,1,0,0,0,0|2,0,0]=3 141 B13R2.12 C1=COC(=C1)C2=CC=C(C=C2)N PI-19745 [0,0,0,1,0,0|1,0,2]=4 142 B13R2.12 C1COC(O1)C2=CC=C(C=C2)Br PI-27062 [0,0,0,1,0,0|1,0,2]=4 143 B13R2.520 C1CC1C(=O)C2=CC=C(C=C2)Br PI-48176 [0,0,0,1,0,0|2,0,0]=3 144 B13R2.520 O=C(c1ccc(cc1)Cl)C2CC2 PI-12280 [0,0,0,1,0,0|2,0,0]=3 145 B13R2.520 O=C(c1ccc(cc1)F)C2CC2 PI-20930 [0,0,0,1,0,0|2,0,0]=3 146 B13R2.5179 BrC1=CC=C2C(=C1)OCCC2=O PI-32698 [0,0,0,1,0,0|3,0,0]=4 147 B13R2.5179 C1C2=C(C=CC(=C2)Br)C(=O)CO1 PI-32719 [0,0,0,1,0,0|3,0,0]=4 148 B13R2.5179 C1CC2=C(C=CC(=C2)Br)C(=O)C1 PI-32678 [0,0,0,1,0,0|2,0,0]=3 149 B13R2.5179 C1CC2=C(C=CC(=C2)Cl)C(=O)C1 PI-32677 [0,0,0,1,0,0|2,0,0]=3 150 B13R2.5179 C1CC2=C(C=CC(=C2)I)C(=O)C1 PI-32679 [0,0,0,1,0,0|2,0,0]=3 151 B13R2.5179 C1CC2=C(C=CC(=C2)N)C(=O)C1 PI-31792 [0,0,0,1,0,0|1,0,0]=2 152 B13R2.5179 C1CNC(=O)C2=C1C=C(C=C2)F PI-48157 [0,0,0,1,0,0|2,0,0]=3 153 B13R2.5179 C1COC2=C(C1=O)C=CC(=C2)F PI-32696 [0,0,0,1,0,0|3,0,0]=4 154 B13R2.5179 Clc1ccc2c(c1)OCCC2=O PI-32697 [0,0,0,1,0,0|3,0,0]=4 155 B13R2.5179 O=C1CCCC2=C1C=CC(C)=C2 PI-40565 [0,0,0,1,0,0|2,0,0]=3 156 B13R2.5179 O=C1CCCC2=C1C=CC(F)=C2 PI-32676 [0,0,0,1,0,0|2,0,0]=3 157 B13R2.5179 O=C1NCCC2=C1C=CC(N)=C2 PI-38343 [0,0,0,1,0,0|1,0,0]=2 158 B13R2.5179 Oc1ccc2c(c1)CCCC2=O PI-38351 [0,0,0,1,0,0|2,0,0]=3 159 B13R2.5187 Brc1ccc2C(=O)OC(=O)c2c1 PI-22575 [0,0,0,1,0,0|2,0,1]=4 160 B13R2.5187 C1=C(Cl)C=CC2=C1C(OC2=O)=O PI-16083 [0,0,0,1,0,0|2,0,1]=4 161 B13R2.5187 C1=CC2=C(C=C1F)C(=O)OC2=O PI-10664 [0,0,0,1,0,0|2,0,1]=4 162 B13R2.5187 C1=CC2=C(C=C1N)C(=O)NC2=O PI-12494 [0,0,0,1,0,0|2,0,1]=4 163 B13R2.5187 C1=CC2=C(C=C1O)C(=O)OC2=O PI-45413 [0,0,0,1,0,0|2,0,1]=4 164 B13R2.5187 Cc1ccc2c(c1)C(=O)OC2=O PI-31763 [0,0,0,1,0,0|2,0,1]=4 165 B11R1.15 C1=C(C(OCC)=O)N=C(S1)Br PI-22058 [0,0,0,0,1,0|3,0,0]=4 166 B11R1.15 CCOC(=O)C1=CC=C(O1)Br PI-44552 [0,0,0,0,1,0|2,0,0]=3 167 B11R1.15 CCOC(=O)C1=CC=C(S1)Cl PI-26757 [0,0,0,0,1,0|2,0,0]=3 168 B11R1.15 CCOC(=O)C1=CN=C(S1)Br PI-27579 [0,0,0,0,1,0|3,0,0]=4 169 B11R1.15 CCOC(=O)C1=CNC(=S)N1 PI-48824 [0,0,0,0,1,0|3,0,0]=4 170 B11R1.15 CCOC(=O)C1=CSC(=C1)Br PI-35048 [0,0,0,0,1,0|2,0,0]=3 171 B11R1.15 CCOC(=O)C1=CSC(=N1)C PI-29820 [0,0,0,0,1,0|3,0,0]=4 172 B11R1.15 CCOC(=O)C1=NOC(=C1)C PI-29478 [0,0,0,0,1,0|3,0,0]=4 173 B11R1.15 CCOC(=O)c1ccn(n1)C PI-40531 [0,0,0,0,1,0|3,0,0]=4 174 B11R1.15 CCOC(=O)c1cnc(o1)Cl PI-38219 [0,0,0,0,1,0|3,0,0]=4 175 B11R1.15 CCOC(=O)c1cnc(s1)Cl PI-39163 [0,0,0,0,1,0|3,0,0]=4 176 B11R1.15 CCOC(=O)c1csc(n1)N PI-11141 [0,0,0,0,1,0|2,0,0]=3 177 B11R1.15 CCOC(=O)c1csc(n1)N PI-36790 [0,0,0,0,1,0|2,0,0]=3 178 B13R1.19 CCOC(=O)CC1=CC=C(C=C1)Br PI-26128 [0,0,0,0,0,1|1,0,0]=2 179 B13R1.19 CCOC(=O)CC1=CC=C(C=C1)Cl PI-50328 [0,0,0,0,0,1|1,0,0]=2 180 B13R1.19 CCOC(=O)CC1=CC=C(C=C1)F PI-50266 [0,0,0,0,0,1|1,0,0]=2 181 B13R1.19 CCOC(=O)CC1=CC=C(C=C1)N PI-29684 [0,0,0,0,0,1|0,0,0]=1 182 B13R1.19 CCOC(=O)Cc1ccc(O)cc1 PI-11993 [0,0,0,0,0,1|1,0,0]=2 183 B13R1.19 CCOC(=O)Cc1ccc(cc1)C PI-38408 [0,0,0,0,0,1|1,0,0]=2 184 B13R1.19 ClCCC(=O)Nc1ccc(Br)cc1 PI-22254 [0,0,0,0,0,1|3,0,0]=4 185 B10R1.1 C1=CC(=CC=C1CCO)N PI-10092 [2,0,0,0,0,0|1,0,1]=4 186 B10R1.1 CCCC1=CC=C(C=C1)Br PI-16232 [2,0,0,0,0,0|1,0,1]=4 187 B10R1.1 CCCC1=CC=C(C=C1)I PI-19089 [2,0,0,0,0,0|1,0,1]=4 188 B10R1.1 CCCC1=CC=C(C=C1)O PI-16209 [2,0,0,0,0,0|1,0,1]=4 189 B10R1.1 CCOC1=CC=C(C=C1)Br PI-34197 [2,0,0,0,0,0|1,0,0]=3 190 B10R1.1 CCOC1=CC=C(C=C1)I PI-12223 [2,0,0,0,0,0|1,0,0]=3 191 B10R1.1 CCOC1=NC=C(C=C1)Br PI-23209 [2,0,0,0,0,0|2,0,0]=4 192 B10R1.1 CCOc1ccc(cc1)O PI-27806 [2,0,0,0,0,0|1,0,0]=3 193 B10R1.1 CCOc1ccc(cn1)N PI-33888 [2,0,0,0,0,0|1,0,0]=3 194 B10R1.1 CNCC1=CC=C(C=C1)N PI-30552 [2,0,0,0,0,0|1,0,1]=4 195 B10R1.1 FC1=CC=C(OCC)C=C1 PI-22032 [2,0,0,0,0,0|1,0,0]=3 196 B10R1.1 NCCc1ccc(cc1)N PI-10153 [2,0,0,0,0,0|1,0,1]=4 197 B10R1.17 C1=CC=C(C=C1)COCCl PI-28438 [2,0,0,0,0,0|1,0,1]=4 198 B10R1.17 C1=CC=C(C=C1)\C=C\CBr PI-46926 [2,0,0,0,0,0|2,0,0]=4 199 B10R1.17 CCCSC1=CC=CC=C1 PI-19961 [2,0,0,0,0,0|2,0,0]=4 200 B10R1.15 BrCC(=O)c1ccccn1 PI-20524 [2,0,0,0,0,0|2,0,0]=4 201 B10R1.15 BrCC(=O)c1ccncc1 PI-20526 [2,0,0,0,0,0|2,0,0]=4 202 B10R1.15 C1=CC(=CN=C1)C(=O)CBr PI-20525 [2,0,0,0,0,0|2,0,0]=4 203 B10R1.15 C1=CC=C(C=C1)C(=O)C#N PI-11000 [2,0,0,0,0,0|1,0,1]=4 204 B10R1.15 C1=CC=C(C=C1)C(=O)C=O PI-30054 [2,0,0,0,0,0|1,0,1]=4 205 B10R1.15 C1=CC=C(C=C1)C(=O)NO PI-10934 [2,0,0,0,0,0|2,0,0]=4 206 B10R1.15 CCC(=O)c1ccncc1 PI-36821 [2,0,0,0,0,0|1,0,0]=3 207 B10R1.15 CCC(C1=CC=CC=C1)N PI-16663 [2,0,0,0,0,0|1,0,1]=4 208 B10R1.15 CCC(O)c1ccccc1 PI-31770 [2,0,0,0,0,0|0,0,2]=4 209 B10R1.15 CCN(C)C1=CC=CC=C1 PI-35465 [2,0,0,0,0,0|2,0,0]=4 210 B10R1.15 CCN(C1=CC=CC=C1)N PI-29822 [2,0,0,0,0,0|2,0,0]=4 211 B10R1.15 CC[C@@H](C1=CC=CC=C1)O PI-49816 [2,0,0,0,0,0|0,0,2]=4 212 B10R1.15 CC[C@@H](c1ccccc1)N PI-16662 [2,0,0,0,0,0|1,0,1]=4 213 B10R1.15 CC[C@H](C1=CC=CC=C1)O PI-49815 [2,0,0,0,0,0|0,0,2]=4 214 B10R1.15 CNC(=O)c1ccccc1 PI-29765 [2,0,0,0,0,0|1,0,0]=3 215 B10R1.15 COC(=N)C1=CC=CC=C1 PI-19741 [2,0,0,0,0,0|1,0,0]=3 216 B10R1.15 COC(=N)C1=CC=CC=N1 PI-46993 [2,0,0,0,0,0|2,0,0]=4 217 B10R1.15 COC(=O)C1=CN=CC=C1 PI-33274 [2,0,0,0,0,0|1,0,0]=3 218 B10R1.15 COC(=O)C1=NC=CC=N1 PI-42078 [2,0,0,0,0,0|2,0,0]=4 219 B10R1.15 COC(=O)C1=NC=CN=C1 PI-30782 [2,0,0,0,0,0|2,0,0]=4 220 B10R1.15 COC(=O)c1ccccn1 PI-33273 [2,0,0,0,0,0|1,0,0]=3 221 B10R1.15 COC(=O)c1ccncn1 PI-36498 [2,0,0,0,0,0|2,0,0]=4 222 B10R1.15 NCC(=O)c1ccccc1 PI-29691 [2,0,0,0,0,0|1,0,0]=3 223 B10R1.15 OCC(=O)c1ccccc1 PI-11851 [2,0,0,0,0,0|1,0,0]=3 224 B10R1.13 B(C1=CC=C(C=C1)N)(O)O PI-25845 [2,0,0,0,0,0|1,0,1]=4 225 B10R1.13 Brc1ccc(cc1)C(=O)O PI-27741 [2,0,0,0,0,0|1,0,0]=3 226 B10R1.13 Brc1ccc(cn1)C(=O)O PI-10090 [2,0,0,0,0,0|2,0,0]=4 227 B10R1.13 Brc1ccc(nc1)C(=O)O PI-10180 [2,0,0,0,0,0|2,0,0]=4 228 B10R1.13 C1=CC(=CC=C1C(=N)N)N PI-10167 [2,0,0,0,0,0|2,0,0]=4 229 B10R1.13 C1=CC(=CC=C1C(=N)N)N PI-30927 [2,0,0,0,0,0|2,0,0]=4 230 B10R1.13 C1=CC(=CC=C1C(=O)Cl)F PI-11984 [2,0,0,0,0,0|2,0,0]=4 231 B10R1.13 C1=CC(=CC=C1C(=O)N)Cl PI-30790 [2,0,0,0,0,0|2,0,0]=4 232 B10R1.13 C1=CC(=CC=C1C(=O)N)O PI-20729 [2,0,0,0,0,0|2,0,0]=4 233 B10R1.13 C1=CC(=CC=C1C(=O)O)I PI-12206 [2,0,0,0,0,0|1,0,0]=3 234 B10R1.13 C1=CC(=CC=C1C(=O)O)S PI-11996 [2,0,0,0,0,0|1,0,0]=3 235 B10R1.13 C1=CC(=CC=C1C(=O)[O-])F PI-28585 [2,0,0,0,0,0|1,0,1]=4 236 B10R1.13 C1=CC(=CC=C1C(N)=O)F PI-28843 [2,0,0,0,0,0|2,0,0]=4 237 B10R1.13 C1=CC(=CC=C1N)[N+](=O)[O-] PI-50479 [2,0,0,0,0,0|1,0,1]=4 238 B10R1.13 C1=CC(=NC=C1C(=O)N)N PI-17748 [2,0,0,0,0,0|2,0,0]=4 239 B10R1.13 C1=CC(=NC=C1C(=O)O)Cl PI-31219 [2,0,0,0,0,0|2,0,0]=4 240 B10R1.13 C1=CC(=NC=C1C(=O)O)F PI-16388 [2,0,0,0,0,0|2,0,0]=4 241 B10R1.13 C1=CC(=NC=C1C(=O)O)N PI-10089 [2,0,0,0,0,0|1,0,0]=3 242 B10R1.13 C1=CC(=O)NC=C1C(=O)O PI-10378 [2,0,0,0,0,0|2,0,0]=4 243 B10R1.13 C1=CC(=O)OC=C1C(=O)O PI-31209 [2,0,0,0,0,0|2,0,0]=4 244 B10R1.13 C1=C[N+](=CC=C1C(=O)O)[O-] PI-18162 [2,0,0,0,0,0|2,0,0]=4 245 B10R1.13 CC(=O)C1=CC=C(C=C1)Br PI-44871 [2,0,0,0,0,0|1,0,0]=3 246 B10R1.13 CC(=O)C1=CC=C(C=C1)N PI-29588 [2,0,0,0,0,0|0,0,0]=2 247 B10R1.13 CC(=O)C1=CN=C(C=C1)N PI-34884 [2,0,0,0,0,0|1,0,0]=3 248 B10R1.13 CC(=O)C1=NC=C(C=C1)Br PI-41220 [2,0,0,0,0,0|2,0,0]=4 249 B10R1.13 CC(=O)c1ccc(cc1)I PI-29117 [2,0,0,0,0,0|1,0,0]=3 250 B10R1.13 CC(C)C1=CC=C(C=C1)N PI-50230 [2,0,0,0,0,0|1,0,1]=4 251 B10R1.13 CC(C1=CC=C(C=C1)N)O PI-11962 [2,0,0,0,0,0|0,0,2]=4 252 B10R1.13 CC(C1=CC=C(O)C=C1)=O PI-37424 [2,0,0,0,0,0|1,0,0]=3 253 B10R1.13 CC1=CC=C(C=C1)C(=O)C PI-32267 [2,0,0,0,0,0|1,0,0]=3 254 B10R1.13 CC1=CC=C(C=C1)C(=O)Cl PI-34220 [2,0,0,0,0,0|2,0,0]=4 255 B10R1.13 CC1=NC=C(C=C1)C(=O)C PI-34864 [2,0,0,0,0,0|2,0,0]=4 256 B10R1.13 CN(C)C1=CC=C(C=C1)N PI-29738 [2,0,0,0,0,0|2,0,0]=4 257 B10R1.13 Cc1ccc(cc1)S(=O)O PI-38460 [2,0,0,0,0,0|2,0,0]=4 258 B10R1.13 Cc1ccc(cn1)C(=O)O PI-16698 [2,0,0,0,0,0|2,0,0]=4 259 B10R1.13 ClC(=O)c1ccc(Cl)cc1 PI-34309 [2,0,0,0,0,0|2,0,0]=4 260 B10R1.13 ClC(=O)c1ccc(cc1)Br PI-11966 [2,0,0,0,0,0|2,0,0]=4 261 B10R1.13 ClC(=O)c1ccc(cc1)C PI-32402 [2,0,0,0,0,0|2,0,0]=4 262 B10R1.13 Fc1ccc(cc1)C(=O)O PI-16490 [2,0,0,0,0,0|1,0,0]=3 263 B10R1.13 NC(=O)c1ccc(cc1)Br PI-30860 [2,0,0,0,0,0|2,0,0]=4 264 B10R1.13 Nc1ccc(cc1)B(O)O PI-31529 [2,0,0,0,0,0|1,0,1]=4 265 B10R1.13 Nc1ccc(cc1)C(=O)N PI-38043 [2,0,0,0,0,0|1,0,0]=3 266 B10R1.13 Nc1ccc(cc1)N(C)C PI-29785 [2,0,0,0,0,0|2,0,0]=4 267 B10R1.13 Nc1ccc(cc1)N(C)C PI-30690 [2,0,0,0,0,0|2,0,0]=4 268 B10R1.13 Nc1ccc(nc1)C(=O)N PI-36522 [2,0,0,0,0,0|2,0,0]=4 269 B10R1.13 Nc1ccc(nc1)C(=O)O PI-10173 [2,0,0,0,0,0|1,0,0]=3 270 B10R1.13 O=C(N)C1=CC=C(I)C=C1 PI-41985 [2,0,0,0,0,0|2,0,0]=4 271 B12R1.1 CCCCOC1=CC=C(C=C1)N PI-22654 [1,1,0,0,0,0|1,0,1]=4 272 B12R1.71 CCCCC1=CC=C(C=C1)CN PI-30734 [1,1,0,0,0,0|1,0,1]=4 273 B12R1.71 CCCCC1=CC=C(C=C1)NN PI-22988 [1,1,0,0,0,0|1,0,1]=4 274 B12R1.385 CCCOC1=CC(=C(C=C1)N)N PI-15804 [1,1,0,0,0,0|2,0,0]=4 275 B12R1.385 CCCSC1=CC(=C(C=C1)N)N PI-32069 [1,1,0,0,0,0|2,0,0]=4 276 B12R1.17 CCOC(=O)C1=CC(=CC=C1)Cl PI-50247 [1,1,0,0,0,0|0,0,0]=2 277 B12R1.17 CCOC(=O)C1=CC(=CC=C1)F PI-34136 [1,1,0,0,0,0|0,0,0]=2 278 B12R1.17 CCOC(=O)C1=CC(=CC=C1)O PI-18902 [1,1,0,0,0,0|0,0,0]=2 279 B12R1.17 CCOC(=O)C1=CC(=CN=C1)Br PI-10174 [1,1,0,0,0,0|1,0,0]=3 280 B12R1.17 CCOC(=O)C1=CC(=NC=C1)Cl PI-35025 [1,1,0,0,0,0|1,0,0]=3 281 B12R1.17 CCOC(=O)C1=CC=CC(=C1)C PI-50248 [1,1,0,0,0,0|0,0,0]=2 282 B12R1.17 CCOC(=O)c1cccc(c1)N PI-12743 [1,1,0,0,0,0|0,0,0]=2 283 B12R1.17 CNCC(=O)C1=CC(=CC=C1)O PI-44651 [1,1,0,0,0,0|2,0,0]=4 284 B12R1.17 O=C(OCC)C1=CC=CC(N)=C1 PI-41287 [1,1,0,0,0,0|0,0,0]=2 285 B12R1.30 C=CCOC(=O)C1=CC=CC=C1 PI-50399 [1,1,0,0,0,0|0,0,1]=3 286 B12R1.30 CCCCC(=O)C1=CC=CC=C1 PI-40215 [1,1,0,0,0,0|1,0,0]=3 287 B12R1.30 CCCOC(=O)C1=CC=CC=C1 PI-50456 [1,1,0,0,0,0|0,0,0]=2 288 B12R1.34 COC(=O)C(=O)C1=CC=CC=C1 PI-11500 [1,1,0,0,0,0|2,0,0]=4 289 B12R1.107 CC(C)OC(=O)C1=CC=CC=C1 PI-50242 [1,1,0,0,0,0|0,0,0]=2 290 B12R1.107 C[S+](C)CC(=O)C1=CC=CC=C1 PI-23896 [1,1,0,0,0,0|2,0,0]=4 291 B12R1.107 C[S+](C)CC(=O)C1=CC=CC=C1 PI-23897 [1,1,0,0,0,0|2,0,0]=4 292 B12R1.308 CCCC(=O)C1=CC=CC=C1O PI-15453 [1,1,0,0,0,0|1,0,0]=3 293 B12R1.308 CCOC(=O)C1=C(C=NC=C1)N PI-35281 [1,1,0,0,0,0|1,0,0]=3 294 B12R1.308 CCOC(=O)C1=C(N=CC=C1)C PI-18257 [1,1,0,0,0,0|1,0,0]=3 295 B12R1.308 CCOC(=O)C1=CC=CC=C1Br PI-50232 [1,1,0,0,0,0|0,0,0]=2 296 B12R1.308 CCOC(=O)C1=CC=CC=C1C PI-50249 [1,1,0,0,0,0|0,0,0]=2 297 B12R1.308 CCOC(=O)C1=CC=CC=C1Cl PI-19869 [1,1,0,0,0,0|0,0,0]=2 298 B12R1.308 CCOC(=O)C1=CC=CC=C1F PI-34135 [1,1,0,0,0,0|0,0,0]=2 299 B12R1.308 CCOC(=O)C1=CC=CC=C1I PI-50555 [1,1,0,0,0,0|0,0,0]=2 300 B12R1.308 NC1=C(C(=O)OCC)C=CC=N1 PI-34709 [1,1,0,0,0,0|1,0,0]=3 301 B12R1.308 O=C(NCC)C1=C(Cl)N=CC=C1 PI-46731 [1,1,0,0,0,0|2,0,0]=4 302 B12R1.5 BrCc1ccc(cc1)C(=O)OC PI-31123 [1,1,0,0,0,0|1,0,0]=3 303 B12R1.5 C1=C(C(OC)=O)C=CC(=C1)C=O PI-27217 [1,1,0,0,0,0|1,0,0]=3 304 B12R1.5 C1=CC(=CC=C1C#N)C(=O)CBr PI-20520 [1,1,0,0,0,0|1,0,1]=4 305 B12R1.5 CCC(=O)c1ccc(cc1)OC PI-11534 [1,1,0,0,0,0|1,0,0]=3 306 B12R1.5 CC[N+]1=CC=C(C=C1)C(=O)OC PI-17154 [1,1,0,0,0,0|2,0,0]=4 307 B12R1.5 COC(=O)C1=CC=C(C=C1)C#C PI-46518 [1,1,0,0,0,0|1,0,0]=3 308 B12R1.5 COC(=O)C1=CC=C(C=C1)CCl PI-24334 [1,1,0,0,0,0|1,0,0]=3 309 B12R1.5 COC(=O)C1=CC=C(C=C1)CO PI-50464 [1,1,0,0,0,0|1,0,0]=3 310 B12R1.5 COC(=O)C1=CN=C(C=C1)C=O PI-48291 [1,1,0,0,0,0|2,0,0]=4 311 B12R1.5 COC(=O)C1=NC=C(C=C1)C=O PI-44040 [1,1,0,0,0,0|2,0,0]=4 312 B12R1.5 COC(=O)c1ccc(cc1)C#N PI-31024 [1,1,0,0,0,0|0,0,1]=3 313 B12R1.5 COC(=O)c1ccc(cc1)NC PI-30237 [1,1,0,0,0,0|0,0,0]=2 314 B12R1.5 COC(C1=CN=C(C=C1)CO)=O PI-33159 [1,1,0,0,0,0|2,0,0]=4 315 B12R1.5 COC1=CC=C(C=C1)C(=O)CBr PI-13027 [1,1,0,0,0,0|2,0,0]=4 316 B12R1.5 COC1=CC=C(C=C1)C(=O)CCl PI-30325 [1,1,0,0,0,0|2,0,0]=4 317 B12R1.5 COC1=CC=C(C=C1)C(=O)CN PI-30558 [1,1,0,0,0,0|2,0,0]=4 318 B12R1.5 COC1=CC=C(C=C1)C(=O)CO PI-29587 [1,1,0,0,0,0|2,0,0]=4 319 B12R1.5 COC1=CC=C(C=C1)C(=O)OC PI-31766 [1,1,0,0,0,0|1,0,0]=3 320 B12R1.5 O=C(OC)C1=CN=C(OC)C=C1 PI-11559 [1,1,0,0,0,0|2,0,0]=4 321 B12R1.9 CNS(=O)(=O)C1=CC=C(C=C1)N PI-17556 [1,1,0,0,0,0|2,0,0]=4 322 B12R1.12 CCN(c1ccc(cc1)N)CC PI-28891 [1,1,0,0,0,0|2,0,0]=4 323 B12R1.20 C1=CC(=CC=C1C(=O)C(Br)Br)F PI-30908 [1,1,0,0,0,0|2,0,0]=4 324 B12R1.20 CC(C(=O)C1=CC=C(C=C1)F)Br PI-46942 [1,1,0,0,0,0|1,0,0]=3 325 B12R1.20 CC(C(=O)C1=CC=C(C=C1)F)Cl PI-20114 [1,1,0,0,0,0|1,0,0]=3 326 B12R1.20 CC(C(=O)C1=CC=C(C=C1)O)Br PI-31561 [1,1,0,0,0,0|1,0,0]=3 327 B12R1.20 CC(C)C(=O)C1=CC=C(C=C1)Cl PI-12317 [1,1,0,0,0,0|1,0,0]=3 328 B12R1.20 CN(C)C(=O)C1=CC=C(C=C1)N PI-30814 [1,1,0,0,0,0|1,0,0]=3 329 B12R1.367 C1=CC(=C(C=C1C(=O)CBr)F)F PI-21210 [1,1,0,0,0,0|2,0,0]=4 330 B12R1.367 C1=CC(=C(C=C1C(=O)CCl)Cl)Cl PI-30613 [1,1,0,0,0,0|2,0,0]=4 331 B12R1.367 C1=CC(=C(C=C1C(=O)CCl)O)O PI-12891 [1,1,0,0,0,0|2,0,0]=4 332 B12R1.367 C1=CC(=C(C=C1C(=O)NN)N)N PI-50369 [1,1,0,0,0,0|2,0,0]=4 333 B12R1.367 CC1=C(C=C(C=C1)C(=O)OC)Br PI-30048 [1,1,0,0,0,0|1,0,0]=3 334 B12R1.367 CC1=C(C=C(C=C1)C(=O)OC)C PI-30556 [1,1,0,0,0,0|1,0,0]=3 335 B12R1.367 CC1=C(C=C(C=C1)C(=O)OC)Cl PI-32079 [1,1,0,0,0,0|1,0,0]=3 336 B12R1.367 CC1=C(C=C(C=C1)C(=O)OC)I PI-44887 [1,1,0,0,0,0|1,0,0]=3 337 B12R1.367 CC1=C(C=C(C=C1)C(=O)OC)I PI-44912 [1,1,0,0,0,0|1,0,0]=3 338 B12R1.367 CC1=C(C=C(C=C1)C(=O)OC)N PI-28231 [1,1,0,0,0,0|1,0,0]=3 339 B12R1.367 CC1=C(C=CC(=C1)C(=O)OC)Br PI-22130 [1,1,0,0,0,0|1,0,0]=3 340 B12R1.367 CC1=C(C=CC(=C1)C(=O)OC)N PI-20693 [1,1,0,0,0,0|0,0,0]=2 341 B12R1.367 CCC(=O)C1=CC(=C(C=C1)Cl)Cl PI-12719 [1,1,0,0,0,0|1,0,0]=3 342 B12R1.367 CCC(=O)C1=CC(=C(C=C1)F)Br PI-17446 [1,1,0,0,0,0|1,0,0]=3 343 B12R1.367 CCC(=O)C1=CC(=C(C=C1)F)F PI-17410 [1,1,0,0,0,0|1,0,0]=3 344 B12R1.367 CCC(=O)C1=CC(=C(C=C1)O)O PI-17412 [1,1,0,0,0,0|1,0,0]=3 345 B12R1.367 COC(=O)C1=CC(=C(C=C1)Br)O PI-50476 [1,1,0,0,0,0|1,0,0]=3 346 B12R1.367 COC(=O)C1=CC(=C(C=C1)Cl)Cl PI-18437 [1,1,0,0,0,0|1,0,0]=3 347 B12R1.367 COC(=O)C1=CC(=C(C=C1)F)F PI-50576 [1,1,0,0,0,0|1,0,0]=3 348 B12R1.367 COC(=O)C1=CC(=C(C=C1)I)N PI-40951 [1,1,0,0,0,0|1,0,0]=3 349 B12R1.367 COC(=O)C1=CC(=C(C=C1)N)Br PI-50477 [1,1,0,0,0,0|0,0,0]=2 350 B12R1.367 COC(=O)C1=CC(=C(C=C1)N)O PI-30817 [1,1,0,0,0,0|0,0,0]=2 351 B12R1.367 COC(=O)C1=CC(=C(N=C1)Cl)Br PI-34712 [1,1,0,0,0,0|2,0,0]=4 352 B12R1.367 COC(=O)C1=CC(=C(N=C1)Cl)O PI-48213 [1,1,0,0,0,0|2,0,0]=4 353 B12R1.367 COC(=O)C1=CC(I)=C(N)C=C1 PI-41936 [1,1,0,0,0,0|0,0,0]=2 354 B12R1.367 COC(=O)c1ccc(O)c(C)c1 PI-36002 [1,1,0,0,0,0|1,0,0]=3 355 B12R1.367 COC(=O)c1ccc(O)c(I)c1 PI-36756 [1,1,0,0,0,0|1,0,0]=3 356 B12R1.367 COC(=O)c1ccc(O)c(O)c1 PI-18336 [1,1,0,0,0,0|1,0,0]=3 357 B12R1.367 COC(=O)c1ccc(c(c1)Cl)O PI-30567 [1,1,0,0,0,0|1,0,0]=3 358 B12R1.367 COC(=O)c1ccc(c(c1)N)Cl PI-18531 [1,1,0,0,0,0|1,0,0]=3 359 B12R1.367 COC(=O)c1ccc(c(c1)N)N PI-30534 [1,1,0,0,0,0|0,0,0]=2 360 B12R1.367 COC(=O)c1ccc(c(c1)N)O PI-39416 [1,1,0,0,0,0|1,0,0]=3 361 B12R1.367 O=C(OC)C1=CN=C(N)C(Br)=C1 PI-37123 [1,1,0,0,0,0|1,0,0]=3 362 B12R1.367 OC1=CC=C(C([O-4][K+2])=O)C=C1O PI-50444 [1,1,0,0,0,0|2,0,0]=4 363 B12R1.1703 C1=CC(=C(C=C1Br)Br)C(=O)CBr PI-31571 [1,1,0,0,0,0|2,0,0]=4 364 B12R1.1703 C1=CC(=C(C=C1Cl)Cl)C(=O)CBr PI-12358 [1,1,0,0,0,0|2,0,0]=4 365 B12R1.1703 C1=CC(=C(C=C1Cl)Cl)C(=O)CCl PI-11716 [1,1,0,0,0,0|2,0,0]=4 366 B12R1.1703 C1=CC(=C(C=C1Cl)Cl)C(=O)CN PI-10227 [1,1,0,0,0,0|2,0,0]=4 367 B12R1.1703 C1=CC(=C(C=C1F)F)C(=O)CBr PI-11717 [1,1,0,0,0,0|2,0,0]=4 368 B12R1.1703 C1=CC(=C(C=C1F)F)C(=O)CCl PI-28595 [1,1,0,0,0,0|2,0,0]=4 369 B12R1.1703 C1=CC(=C(C=C1F)F)C(=O)CN PI-10228 [1,1,0,0,0,0|2,0,0]=4 370 B12R1.1703 C1=CC(=C(C=C1N)O)C(=O)NN PI-50258 [1,1,0,0,0,0|2,0,0]=4 371 B12R1.1703 C1=CC(=C(C=C1O)O)C(=O)CBr PI-30376 [1,1,0,0,0,0|2,0,0]=4 372 B12R1.1703 C1=CC(=C(C=C1O)O)C(=O)CCl PI-50684 [1,1,0,0,0,0|2,0,0]=4 373 B12R1.1703 CC1=C(C=CC(=C1)Cl)C(=O)OC PI-50465 [1,1,0,0,0,0|1,0,0]=3 374 B12R1.1703 CC1=C(C=CC(=C1)F)C(=O)OC PI-50475 [1,1,0,0,0,0|1,0,0]=3 375 B12R1.1703 CC1=CC(=C(C=C1)C(=O)CBr)C PI-29413 [1,1,0,0,0,0|2,0,0]=4 376 B12R1.1703 CC1=CC(=C(C=C1)C(=O)OC)O PI-28558 [1,1,0,0,0,0|1,0,0]=3 377 B12R1.1703 CC1=CC(=CN=C1C(=O)OC)Br PI-48295 [1,1,0,0,0,0|2,0,0]=4 378 B12R1.1703 CCC(=O)C1=C(C=C(C=C1)Cl)Cl PI-17228 [1,1,0,0,0,0|1,0,0]=3 379 B12R1.1703 CCC(=O)c1ccc(cc1F)F PI-28864 [1,1,0,0,0,0|1,0,0]=3 380 B12R1.1703 CNC(=O)C1=C(F)C=C(Br)C=C1 PI-39273 [1,1,0,0,0,0|2,0,0]=4 381 B12R1.1703 COC(=O)C1=C(C=C(C=C1)Br)Cl PI-50469 [1,1,0,0,0,0|1,0,0]=3 382 B12R1.1703 COC(=O)C1=C(C=C(C=C1)Br)N PI-33943 [1,1,0,0,0,0|1,0,0]=3 383 B12R1.1703 COC(=O)C1=C(C=C(C=C1)Br)O PI-43951 [1,1,0,0,0,0|1,0,0]=3 384 B12R1.1703 COC(=O)C1=C(C=C(C=C1)Cl)Cl PI-30511 [1,1,0,0,0,0|1,0,0]=3 385 B12R1.1703 COC(=O)C1=C(C=C(C=C1)Cl)F PI-44533 [1,1,0,0,0,0|1,0,0]=3 386 B12R1.1703 COC(=O)C1=C(C=C(C=C1)Cl)N PI-11781 [1,1,0,0,0,0|1,0,0]=3 387 B12R1.1703 COC(=O)C1=C(C=C(C=C1)F)Cl PI-33820 [1,1,0,0,0,0|1,0,0]=3 388 B12R1.1703 COC(=O)C1=C(C=C(C=C1)F)F PI-28041 [1,1,0,0,0,0|1,0,0]=3 389 B12R1.1703 COC(=O)C1=C(C=C(C=C1)N)Cl PI-33942 [1,1,0,0,0,0|0,0,0]=2 390 B12R1.1703 COC(=O)C1=C(C=C(C=C1)N)O PI-18539 [1,1,0,0,0,0|0,0,0]=2 391 B12R1.1703 COC(=O)C1=C(C=C(C=C1)O)Cl PI-36171 [1,1,0,0,0,0|1,0,0]=3 392 B12R1.1703 COC(=O)C1=C(C=C(C=C1)O)O PI-10048 [1,1,0,0,0,0|1,0,0]=3 393 B12R1.1703 COC(=O)C1=NC=C(C=C1Cl)Br PI-44607 [1,1,0,0,0,0|2,0,0]=4 394 B12R1.1703 COC(=O)c1cnc(cc1Cl)Cl PI-33141 [1,1,0,0,0,0|2,0,0]=4 395 B12R1.1703 NC1=CC(=C(C(=O)OC)C=C1)C PI-42589 [1,1,0,0,0,0|0,0,0]=2 396 B12R1.1703 O=C(NC)C1=CC=C(N)C=C1F PI-42389 [1,1,0,0,0,0|1,0,0]=3 397 B12R1.312 CCOC(=O)c1ccc(CCl)o1 PI-22066 [0,1,0,0,1,0|2,0,0]=4 398 B12R1.313 CCOC(=O)C1=C(C=C(N1)C)C PI-23991 [0,1,0,0,1,0|2,0,0]=4 399 B12R1.313 CCOC(=O)C1=C(SC(=C1)Br)Br PI-35049 [0,1,0,0,1,0|2,0,0]=4 400 B12R1.313 Cc1nc(N)sc1C(=O)OCC PI-29879 [0,1,0,0,1,0|2,0,0]=4 401 B12R1.314 CCOC(=O)C1=CC(=C(O1)C)C PI-17533 [0,1,0,0,1,0|2,0,0]=4 402 B12R1.1579 O=C(C1=CN=C(N)N1C)OCC PI-39890 [0,1,0,0,1,0|2,0,0]=4 403 B14R1.35 CCOC(=O)C(=O)C1=CC=C(C=C1)Cl PI-28423 [0,1,0,0,0,1|1,0,0]=3 404 B14R1.35 CCOC(=O)C(C1=CC=C(C=C1)O)O PI-19841 [0,1,0,0,0,1|1,0,0]=3 405 B14R1.35 O=C(OCC)C(C1=CC=C(Br)C=C1)=O PI-40030 [0,1,0,0,0,1|1,0,0]=3 406 B14R1.698 CC(C)CC(OC1=CC=C(C)C=C1)=O PI-18677 [0,1,0,0,0,1|2,0,0]=4 407 B14R1.954 CCCC(=O)OC1=CC=C(C=C1)C=O PI-27642 [0,1,0,0,0,1|2,0,0]=4 408 B14R1.954 CCOC(=O)CC1=CC=C(C=C1)OC PI-50356 [0,1,0,0,0,1|1,0,0]=3 409 B14R1.954 CCOC(=O)CC1=CC=C(C=C1)SC PI-32850 [0,1,0,0,0,1|1,0,0]=3 410 B14R1.967 CCOC(=O)CC1=CC(=C(C=C1)Cl)Cl PI-50577 [0,1,0,0,0,1|1,0,0]=3 411 B14R1.967 CCOC(=O)CC1=CC(=C(C=C1)F)N PI-48055 [0,1,0,0,0,1|1,0,0]=3 412 B14R1.967 CCOC(=O)NC1=CC(=C(C=C1)C)Cl PI-19950 [0,1,0,0,0,1|1,0,0]=3 413 B14R1.6823 CCOC(=O)CC1=C(C=C(C=C1)Cl)Cl PI-50421 [0,1,0,0,0,1|1,0,0]=3 414 B14R1.10 CCC(C)OC(=O)C1=CC=C(C=C1)O PI-50480 [0,2,0,0,0,0|1,0,0]=3 415 B14R1.19 CCCCCC(=O)C1=CC=C(C=C1)O PI-12828 [0,2,0,0,0,0|2,0,0]=4 416 B14R1.19 CCCCOC(=O)C1=CC=C(C=C1)Cl PI-50392 [0,2,0,0,0,0|1,0,0]=3 417 B14R1.19 CCCCOC(=O)C1=CC=C(C=C1)[O-] PI-50395 [0,2,0,0,0,0|1,0,0]=3 418 B14R1.125 CC1=CC=C(C=C1)S(=O)(=O)OCCCl PI-30942 [0,2,0,0,0,0|2,0,0]=4 419 B14R1.125 CCCCS(=O)(=O)C1=CC=C(C=C1)N PI-50201 [0,2,0,0,0,0|2,0,0]=4 420 B14R1.678 C1=CC(=CC=C1C(=O)NCC(=O)[O-])N PI-24677 [0,2,0,0,0,0|1,0,1]=4 421 B14R1.678 CC(C)COC(=O)C1=CC=C(C=C1)N PI-50391 [0,2,0,0,0,0|0,0,0]=2 422 B14R1.678 O=C(c1ccc(cc1)N)NCC(=O)O PI-24522 [0,2,0,0,0,0|1,0,1]=4 423 B14R1.926 CCCCC(=O)C1=CC=C(C=C1)OC PI-16248 [0,2,0,0,0,0|2,0,0]=4 424 B14R1.926 COC1=CC=C(C=C1)C(=O)CCCCl PI-13652 [0,2,0,0,0,0|2,0,0]=4 425 B14R1.941 CC1=C(C=C(C=C1)C(=O)CCCCl)C PI-17570 [0,2,0,0,0,0|2,0,0]=4 426 B14R1.941 ClCCOC(=O)c1ccc(C)c(N)c1 PI-11285 [0,2,0,0,0,0|1,0,0]=3 427 B14R1.2523 C1=CC(=C(C=C1Cl)Cl)C(=O)NCCO PI-19297 [0,2,0,0,0,0|2,0,0]=4 428 B14R1.2523 C1=CC(=C(C=C1O)O)C(=O)NCCO PI-30363 [0,2,0,0,0,0|2,0,0]=4 429 B14R1.2523 CCCCC(C1=CC=C(Cl)C=C1Cl)=O PI-40216 [0,2,0,0,0,0|2,0,0]=4 430 B14R1.2819 CCC(C(=O)C1=C(C=C(C=C1)Cl)Cl)Br PI-32200 [0,2,0,0,0,0|2,0,0]=4 431 B14R1.694 Cc1ccc(cc1)S(=O)(=O)OC(C)C PI-19336 [0,2,0,0,0,0|2,0,0]=4 432 B14R1.683 Brc1ccc(cn1)C(=O)OC(C)(C)C PI-38476 [0,2,0,0,0,0|2,0,0]=4 433 B14R1.683 CC(C)(C)NC(=O)C1=CC=C(C=C1)Br PI-28523 [0,2,0,0,0,0|2,0,0]=4 434 B14R1.683 CC(C)(C)OC(=O)C1=CC=C(C=C1)N PI-13573 [0,2,0,0,0,0|0,0,0]=2 435 B14R1.683 Clc1ccc(cn1)C(=O)OC(C)(C)C PI-38349 [0,2,0,0,0,0|2,0,0]=4 436 B14R1.685 CC1=C(C=C(C=C1)C(=O)OC(C)C)N PI-10927 [0,2,0,0,0,0|1,0,0]=3 437 B14R1.25 CCOC(=O)C1=CC=C(C=C1)N=C=O PI-19423 [0,2,0,0,0,0|0,0,1]=3 438 B14R1.25 CCOC(=O)C1=CC=C(C=C1)N=C=S PI-22029 [0,2,0,0,0,0|0,0,1]=3 439 B14R1.25 CCOC1=CC=C(C=C1)C(=O)OCC PI-13208 [0,2,0,0,0,0|1,0,0]=3 440 B14R1.610 CCOC(=O)C1=CC=C(C=C1)N(C)C PI-32928 [0,2,0,0,0,0|0,0,0]=2 441 B14R1.610 CCOC(=O)C1=NC=C(C=C1)[N+](=O)[O-] PI-31924 [0,2,0,0,0,0|1,0,1]=4 442 B14R1.610 CCOC(=O)c1ccc(cc1)B(O)O PI-25568 [0,2,0,0,0,0|1,0,0]=3 443 B14R1.626 CCOC(=O)C1=CC(=C(C=C1)O)OC PI-18761 [0,2,0,0,0,0|1,0,0]=3 444 B14R1.6821 CCOC(=O)c1cc(Cl)c(O)c(Cl)c1 PI-22077 [0,2,0,0,0,0|1,0,0]=3 445 B14R1.7265 CCOC(=O)C1=C(C(=C(C=C1)F)F)F PI-50615 [0,2,0,0,0,0|1,0,0]=3 446 B14R1.18811 CCOC(=O)C1=C(C=C(C=C1C)C)C PI-32268 [0,2,0,0,0,0|1,0,0]=3 447 B14R1.18811 CCOC(=O)c1c(O)cc(nc1O)C PI-16036 [0,2,0,0,0,0|2,0,0]=4 448 B12R2.24 Brc1ccc2COCCc2c1 PI-36578 [1,0,0,1,0,0|1,0,1]=4 449 B12R2.132 Nc1ccc2cnn(C)c2c1 PI-34953 [1,0,0,1,0,0|2,0,0]=4 450 B12R2.2 C1CC=C(C1)C2=CC=CC=C2 PI-49447 [1,0,0,1,0,0|2,0,0]=4 451 B12R2.2 C1CN=C(N1)C2=CC=CC=C2 PI-32322 [1,0,0,1,0,0|2,0,0]=4 452 B12R2.2 C1COC(O1)C2=CC=CC=C2 PI-34778 [1,0,0,1,0,0|0,0,2]=4 453 B12R2.1081 C1CC2=CC=CC=C2C(=O)C1 PI-32512 [1,0,0,1,0,0|1,0,0]=3 454 B12R2.1081 C1CNC(=O)C2=CC=CC=C21 PI-35016 [1,0,0,1,0,0|1,0,0]=3 455 B12R2.1081 C1CNC2=CC=CC=C2C1=O PI-44146 [1,0,0,1,0,0|2,0,0]=4 456 B12R2.1081 C1CSC2=CC=CC=C2C1=O PI-44168 [1,0,0,1,0,0|2,0,0]=4 457 B12R2.1081 N1=CC=CC2=C1C(CCC2)=O PI-42243 [1,0,0,1,0,0|2,0,0]=4 458 B12R2.1081 O=C1CCCc2ncccc12 PI-36251 [1,0,0,1,0,0|2,0,0]=4 459 B12R2.1081 O=C1CCOc2c1cccc2 PI-10312 [1,0,0,1,0,0|2,0,0]=4 460 B12R2.2028 C1=CC=C2C(=C1)C(OC2=O)Br PI-22576 [1,0,0,1,0,0|1,0,0]=3 461 B12R2.2028 C1=CC=C2C(=C1)C(OC2=O)O PI-44675 [1,0,0,1,0,0|1,0,0]=3 462 B12R2.612 Brc1ccc2c(c1)CNC2=O PI-39318 [1,0,0,1,0,0|2,0,0]=4 463 B12R2.612 C1=C(Br)C=CC2=C1CCC2=O PI-21521 [1,0,0,1,0,0|1,0,0]=3 464 B12R2.612 C1C(=O)C2=C(O1)C=C(C=C2)O PI-17763 [1,0,0,1,0,0|2,0,0]=4 465 B12R2.612 C1C2=C(C=CC(=C2)Br)C(=O)O1 PI-11635 [1,0,0,1,0,0|1,0,0]=3 466 B12R2.612 C1C2=C(C=CC(=C2)N)C(=O)N1 PI-36570 [1,0,0,1,0,0|1,0,0]=3 467 B12R2.612 C1C2=C(C=CC(=C2)N)C(=O)O1 PI-17686 [1,0,0,1,0,0|0,0,0]=2 468 B12R2.612 C1CC(=O)C2=C1C=C(C=C2)F PI-16849 [1,0,0,1,0,0|1,0,0]=3 469 B12R2.612 C1CC(=O)C2=C1C=C(C=C2)I PI-32739 [1,0,0,1,0,0|1,0,0]=3 470 B12R2.612 Clc1ccc2C(=O)CCc2c1 PI-31195 [1,0,0,1,0,0|1,0,0]=3 471 B12R2.612 Nc1ccc2C(=O)CCc2c1 PI-14100 [1,0,0,1,0,0|0,0,0]=2 472 B12R2.612 O=C1CCC2=C1C=CC(C)=C2 PI-40563 [1,0,0,1,0,0|1,0,0]=3 473 B12R2.612 O=C1NCC2=C1C=CC(O)=C2 PI-46708 [1,0,0,1,0,0|2,0,0]=4 474 B12R2.612 O=C1OCC2=C1C=CC(Cl)=C2 PI-40884 [1,0,0,1,0,0|1,0,0]=3 475 B12R2.612 Oc1ccc2C(=O)CCc2c1 PI-11505 [1,0,0,1,0,0|1,0,0]=3 476 B14R2.926 C1CC(=O)N(C1)C2=CC=C(C=C2)Br PI-14512 [0,0,0,1,0,1|2,0,0]=4 477 B14R2.8719 C1CCC(=O)C2=C(C1)C=C(C=C2)O PI-48114 [0,1,0,1,0,0|2,0,0]=4 478 B14R2.8719 Clc1ccc2C(=O)CCCNc2c1 PI-36370 [0,1,0,1,0,0|2,0,0]=4 479 B14R2.329 CCC1=CC=C(C=C1)C(=O)C2CC2 PI-17837 [0,1,0,1,0,0|2,0,0]=4 480 B14R2.329 COc1ccc(cc1)C(=O)C2CC2 PI-17839 [0,1,0,1,0,0|2,0,0]=4 481 B14R2.1801 C1CC2=C(C=CC(=C2)C#N)C(=O)C1 PI-17757 [0,1,0,1,0,0|1,0,1]=4 482 B14R2.1801 COC1=CC=C2C(NCCC2=C1)=O PI-41879 [0,1,0,1,0,0|2,0,0]=4 483 B14R2.1801 COc1ccc2c(c1)CCCC2=O PI-12378 [0,1,0,1,0,0|2,0,0]=4 484 B10R1.11 C1=C[NH]C(=N1)C(OCC)=O PI-40025 [1,0,0,0,1,0|2,0,0]=4 485 B10R1.11 CCCC(=O)C1=CC=CO1 PI-19566 [1,0,0,0,1,0|2,0,0]=4 486 B10R1.11 CCOC(=O)C1=CC=CO1 PI-45416 [1,0,0,0,1,0|1,0,0]=3 487 B10R1.11 CCOC(=O)C1=CN=CN1 PI-45041 [1,0,0,0,1,0|2,0,0]=4 488 B10R1.11 CCOC(=O)C1=CN=CO1 PI-41911 [1,0,0,0,1,0|2,0,0]=4 489 B10R1.11 CCOC(=O)C1=CSC=C1 PI-29710 [1,0,0,0,1,0|1,0,0]=3 490 B10R1.11 CCOC(=O)C1=CSC=N1 PI-25161 [1,0,0,0,1,0|2,0,0]=4 491 B10R1.11 CCOC(=O)c1c[nH]nc1 PI-11547 [1,0,0,0,1,0|2,0,0]=4 492 B10R1.11 CCOC(=O)c1cc[nH]n1 PI-39369 [1,0,0,0,1,0|2,0,0]=4 493 B10R1.11 CCOC(=O)c1ccc[nH]1 PI-19322 [1,0,0,0,1,0|1,0,0]=3 494 B10R1.11 CCOC(=O)c1cccs1 PI-11165 [1,0,0,0,1,0|1,0,0]=3 495 B10R1.11 CCOC(=O)c1cocc1 PI-13055 [1,0,0,0,1,0|1,0,0]=3 496 B10R1.14 CC1=CC=C(O1)C(=O)OC PI-19366 [1,0,0,0,1,0|2,0,0]=4 497 B10R1.14 CCC(=O)C1=CC=C(O1)C PI-17359 [1,0,0,0,1,0|2,0,0]=4 498 B10R1.14 COC(=O)C1=CC=C(O1)Br PI-30379 [1,0,0,0,1,0|2,0,0]=4 499 B10R1.14 COC(=O)C1=CC=C(S1)Cl PI-45460 [1,0,0,0,1,0|2,0,0]=4 500 B10R1.14 COC(=O)C1=CSC(=N1)N PI-16259 [1,0,0,0,1,0|2,0,0]=4 501 B10R1.14 COC(=O)c1cc([nH]n1)N PI-39462 [1,0,0,0,1,0|2,0,0]=4 502 B10R1.14 COC(=O)c1cc(c[nH]1)Br PI-33152 [1,0,0,0,1,0|2,0,0]=4 503 B10R1.14 COC(=O)c1cc(cs1)Br PI-39011 [1,0,0,0,1,0|2,0,0]=4 504 B10R1.14 COC(=O)c1cc(cs1)N PI-35482 [1,0,0,0,1,0|1,0,0]=3 505 B10R1.14 COC(=O)c1ccc([nH]1)C PI-39271 [1,0,0,0,1,0|2,0,0]=4 506 B10R1.14 COC(=O)c1cnc(s1)N PI-25778 [1,0,0,0,1,0|2,0,0]=4 507 B10R1.14 COC(=O)c1scc(C)c1 PI-24693 [1,0,0,0,1,0|2,0,0]=4 508 B10R1.14 O=C(C1=CSC(Br)=C1)OC PI-46727 [1,0,0,0,1,0|2,0,0]=4 509 B12R1.32 CCCC(CC1=CC=CC=C1)=O PI-19824 [1,0,0,0,0,1|1,0,0]=3 510 B12R1.32 CCOC(=O)CC1=CN=CC=C1 PI-42472 [1,0,0,0,0,1|1,0,0]=3 511 B12R1.32 CCOC(=O)C[n+]1ccccc1 PI-17048 [1,0,0,0,0,1|1,0,0]=3 512 B12R1.32 CCOC(=O)NC1=CC=CC=C1 PI-50683 [1,0,0,0,0,1|0,0,0]=2 513 B12R1.32 O=C(OCC)CC1=NC=CC=N1 PI-46779 [1,0,0,0,0,1|2,0,0]=4 514 B14R1.502 CCOC(=O)C=CC1=CC=C(C=C1)C PI-32828 [0,0,0,0,0,2|1,0,0]=3 515 B14R1.502 CCOC(=O)C=CC1=CC=C(C=C1)N PI-31211 [0,0,0,0,0,2|0,0,0]=2 516 B14R1.502 CCOC(=O)COC1=CC=C(C=C1)Cl PI-50268 [0,0,0,0,0,2|1,0,0]=3 517 B14R1.502 CCOC(=O)COC1=CC=C(C=C1)F PI-50276 [0,0,0,0,0,2|1,0,0]=3 518 B14R1.502 CCOC(=O)\C=C\c1ccc(cc1)F PI-38867 [0,0,0,0,0,2|1,0,0]=3 519 B14R1.502 CCOC(=O)\N=C\c1ccc(Cl)cc1 PI-23173 [0,0,0,0,0,2|1,0,0]=3 520 B14R1.502 CCOC(=O)\N=C\c1ccc(F)cc1 PI-23487 [0,0,0,0,0,2|1,0,0]=3