0 B14R2.2 C=C(Br)CN1C=NC2=C1C=CC=C2 Z57072787 [0,0,0,0,0,0|3,0,1]=4 1 B14R2.2 C=C(C)CN1C=NC2=C1C=CC=C2 Z54141269 [0,0,0,0,0,0|3,0,1]=4 2 B14R2.2 CC(=O)CC1=CNC2=C1C=CC=C2 Z277541166 [0,0,0,0,0,0|1,0,0]=1 3 B14R2.2 CC(=O)OC1=CNC2=C1C=CC=C2 Z199464144 [0,0,0,0,0,0|2,0,0]=2 4 B14R2.2 CC(O)CN1C=NC2=C1C=CC=C2 Z600458200 [0,0,0,0,0,0|2,0,2]=4 5 B14R2.2 CN(C)CC1=CNC2=C1C=CC=C2 Z56917380 [0,0,0,0,0,0|3,0,0]=3 6 B14R2.2 N=C(N)CN1C=NC2=C1C=CC=C2 Z1316651964 [0,0,0,0,0,0|3,0,1]=4 7 B14R2.2 NC(=O)CC1=CNC2=C1C=CC=C2 Z33546521 [0,0,0,0,0,0|1,0,0]=1 8 B14R2.2 NC(=O)CC1=NOC2=C1C=CC=C2 Z101186134 [0,0,0,0,0,0|3,0,0]=3 9 B14R2.2 NC(=O)CC1=NSC2=C1C=CC=C2 Z1198158706 [0,0,0,0,0,0|3,0,0]=3 10 B14R2.2 NC(=O)CN1C=NC2=C1C=CC=C2 Z19648288 [0,0,0,0,0,0|2,0,1]=3 11 B14R2.2 NC(=O)CN1CCC2=C1C=CC=C2 Z54749713 [0,0,0,0,0,0|3,0,1]=4 12 B14R2.2 NC(=O)CN1N=NC2=C1C=CC=C2 Z56774274 [0,0,0,0,0,0|3,0,1]=4 13 B14R2.2 O=C(O)CC1=CN=C2N1C=CC=N2 Z4579553371 [0,0,0,0,0,0|2,0,1]=3 14 B14R2.2 O=C(O)CC1=CN=C2N1N=CC=C2 Z4511427996 [0,0,0,0,0,0|2,0,1]=3 15 B14R2.2 O=C(O)CC1=CNC2=C1C=CC=C2 Z56913182 [0,0,0,0,0,0|0,0,0]=0 16 B14R2.2 O=C(O)CC1=CNC2=C1C=CC=N2 Z978942538 [0,0,0,0,0,0|1,0,0]=1 17 B14R2.2 O=C(O)CC1=CNC2=C1C=CN=C2 Z2213893334 [0,0,0,0,0,0|1,0,0]=1 18 B14R2.2 O=C(O)CC1=COC2=C1C=CC=C2 Z119989454 [0,0,0,0,0,0|1,0,0]=1 19 B14R2.2 O=C(O)CC1=CSC2=C1C=CC=C2 Z432090858 [0,0,0,0,0,0|1,0,0]=1 20 B14R2.2 O=C(O)CC1=NNC2=C1C=CC=C2 Z335442472 [0,0,0,0,0,0|1,0,0]=1 21 B14R2.2 O=C(O)CC1=NOC2=C1C=CC=C2 Z99600464 [0,0,0,0,0,0|2,0,0]=2 22 B14R2.2 O=C(O)CC1=NSC2=C1C=CC=C2 Z1262511380 [0,0,0,0,0,0|2,0,0]=2 23 B14R2.2 O=C(O)CC1CCC2=C1C=CC=C2 Z352782144 [0,0,0,0,0,0|1,0,2]=3 24 B14R2.2 O=C(O)CC1CNC2=C1C=CC=C2 Z1259339975 [0,0,0,0,0,0|0,0,2]=2 25 B14R2.2 O=C(O)CC1COC2=C1C=CC=C2 Z1198234596 [0,0,0,0,0,0|1,0,2]=3 26 B14R2.2 O=C(O)CC1OCC2=C1C=CC=N2 Z5457661360 [0,0,0,0,0,0|3,0,1]=4 27 B14R2.2 O=C(O)CN1C=CC2=C1C=CC=C2 Z274525914 [0,0,0,0,0,0|2,0,0]=2 28 B14R2.2 O=C(O)CN1C=NC2=C1C=CC=C2 Z237574652 [0,0,0,0,0,0|1,0,1]=2 29 B14R2.2 O=C(O)CN1N=CC2=C1C=CC=C2 Z959320648 [0,0,0,0,0,0|3,0,0]=3 30 B14R2.2 O=C(O)CN1N=CC2=C1N=CC=C2 Z2753922085 [0,0,0,0,0,0|4,0,0]=4 31 B14R2.2 O=C(O)CN1N=NC2=C1C=CC=C2 Z57069978 [0,0,0,0,0,0|2,0,1]=3 32 B13R2.1 CNCC1=CSC2=C1C=CC=C2 Z415728090 [1,0,0,0,0,0|3,0,0]=4 33 B13R2.1 N#CCC1=CNC2=C1C=CC=C2 Z104477894 [1,0,0,0,0,0|1,0,1]=3 34 B13R2.1 N#CCC1=CNC2=C1C=CC=N2 Z978942402 [1,0,0,0,0,0|2,0,1]=4 35 B13R2.1 N#CCC1=CNC2=C1C=CN=C2 Z1828214668 [1,0,0,0,0,0|2,0,1]=4 36 B13R2.1 N#CCC1=CNC2=C1N=CC=C2 Z1255440212 [1,0,0,0,0,0|2,0,1]=4 37 B13R2.1 N#CCC1=CSC2=C1C=CC=C2 Z431602866 [1,0,0,0,0,0|2,0,1]=4 38 B13R2.1 NCCC1=CNC2=C1C=CC=C2 Z104478080 [1,0,0,0,0,0|1,0,1]=3 39 B13R2.1 NCCC1=CNC2=C1C=CC=N2 Z3013846178 [1,0,0,0,0,0|2,0,1]=4 40 B13R2.1 NCCC1=CNC2=C1C=CN=C2 Z2685925193 [1,0,0,0,0,0|2,0,1]=4 41 B13R2.1 NCCC1=CNC2=C1N=CC=C2 Z1741982367 [1,0,0,0,0,0|2,0,1]=4 42 B13R2.1 NCCC1=CSC2=C1C=CC=C2 Z432090862 [1,0,0,0,0,0|2,0,1]=4 43 B13R2.1 OCCC1=CNC2=C1C=CC=C2 Z1123806416 [1,0,0,0,0,0|0,0,1]=2 44 B15R2.4 CCC(=O)NC1=NNC2=C1C=CC=C2 Z295761044 [0,1,0,0,0,0|3,0,0]=4 45 B15R2.4 CNC(=O)CC1=CNC2=C1C=CC=N2 Z1400782245 [0,1,0,0,0,0|2,0,0]=3 46 B15R2.4 CNC(=O)CN1C=NC2=C1C=CC=C2 Z19648084 [0,1,0,0,0,0|2,0,1]=4 47 B15R2.4 COC(=O)CC1=CNC2=C1C=CC=C2 Z18279395 [0,1,0,0,0,0|0,0,0]=1 48 B15R2.4 COC(=O)CC1CNC2=C1C=CC=C2 Z979710660 [0,1,0,0,0,0|0,0,2]=3 49 B15R2.4 N/C(=N\O)/CN1C=NC2=C1C=CC=C2 Z237599832 [0,1,0,0,0,0|2,0,1]=4 50 B15R2.4 NC(CO)CC1=CNC2=C1C=CC=C2 Z1069312128 [0,1,0,0,0,0|1,0,1]=3 51 B15R2.4 NNC(=O)CC1=CNC2=C1C=CC=C2 Z56939166 [0,1,0,0,0,0|1,0,0]=2 52 B15R2.4 NNC(=O)CN1C=CC2=C1C=CC=C2 Z223656244 [0,1,0,0,0,0|3,0,0]=4 53 B15R2.4 O=C(CC1=CNC2=C1C=CC=C2)NO Z59181979 [0,1,0,0,0,0|0,0,0]=1 54 B15R2.377 CC1=CC2=C(C=C1)C(=CN2)CC(=O)O Z940713560 [0,1,0,0,0,0|0,0,0]=1 55 B15R2.377 CC1=CC2=C(C=C1)C(=CO2)CC(=O)O Z56776913 [0,1,0,0,0,0|1,0,0]=2 56 B15R2.377 CN(C)CC1=CNC2=C1C=CC(=C2)F Z1201618423 [0,1,0,0,0,0|3,0,0]=4 57 B15R2.377 NC(=O)CC1=CNC2=C1C=CC(=C2)F Z997948672 [0,1,0,0,0,0|1,0,0]=2 58 B15R2.377 O=C(O)CC1=CNC2=C1C=CC(=C2)Br Z978942580 [0,1,0,0,0,0|0,0,0]=1 59 B15R2.377 O=C(O)CC1=CNC2=C1C=CC(=C2)Cl Z940713564 [0,1,0,0,0,0|0,0,0]=1 60 B15R2.377 O=C(O)CC1=CNC2=C1C=CC(=C2)F Z927291412 [0,1,0,0,0,0|0,0,0]=1 61 B15R2.377 O=C(O)CC1=COC2=C1C=CC(=C2)Cl Z1269129100 [0,1,0,0,0,0|1,0,0]=2 62 B15R2.377 O=C(O)CC1=COC2=C1C=CC(=C2)O Z56983130 [0,1,0,0,0,0|1,0,0]=2 63 B15R2.377 O=C(O)CC1=CSC2=C1C=CC(=C2)Br Z2733638462 [0,1,0,0,0,0|1,0,0]=2 64 B15R2.377 O=C(O)CC1=CSC2=C1C=CC(=C2)Cl Z2733267599 [0,1,0,0,0,0|1,0,0]=2 65 B15R2.377 O=C(O)CC1=NOC2=C1C=CC(=C2)F Z1255451112 [0,1,0,0,0,0|2,0,0]=3 66 B15R2.377 O=C(O)CC1CCC2=C1C=CC(=C2)Br Z1269123210 [0,1,0,0,0,0|1,0,2]=4 67 B15R2.377 O=C(O)CC1COC2=C1C=CC(=C2)O Z1255374187 [0,1,0,0,0,0|1,0,2]=4 68 B15R2.377 O=C(O)CN1C=CC2=C1C=CC(=C2)Br Z382706468 [0,1,0,0,0,0|2,0,0]=3 69 B15R2.377 O=C(O)CN1C=CC2=C1C=CC(=C2)F Z1160903217 [0,1,0,0,0,0|2,0,0]=3 70 B15R2.993 CC(=O)NC1C(=O)NC2=C1C=CC=C2 Z117766634 [0,1,0,0,0,0|2,0,1]=4 71 B15R2.993 CC1=C(C2=C(N1)C=CC=C2)CC(=O)N Z339563896 [0,1,0,0,0,0|1,0,0]=2 72 B15R2.993 CC1=C(C2=C(N1)C=CC=C2)CC(=O)O Z335447192 [0,1,0,0,0,0|0,0,0]=1 73 B15R2.993 CC1=C(C2=C(O1)C=CC=C2)CC(=O)O Z1262521044 [0,1,0,0,0,0|1,0,0]=2 74 B15R2.993 CC1=CC2=C(N1CC(=O)O)C=CC=C2 Z104341874 [0,1,0,0,0,0|2,0,0]=3 75 B15R2.993 CC1=NC2=C(N1CC(=O)O)C=CC=C2 Z56812811 [0,1,0,0,0,0|1,0,1]=3 76 B15R2.993 NC(=O)CN1C(=O)OC2=C1C=CC=C2 Z15400255 [0,1,0,0,0,0|3,0,0]=4 77 B15R2.993 O=C(O)/C=C\1/C(=O)NC2=C1C=CC=C2 Z56827367 [0,1,0,0,0,0|0,0,1]=2 78 B15R2.993 O=C(O)CC1=C(SC2=C1C=CC=C2)Br Z3681807548 [0,1,0,0,0,0|1,0,0]=2 79 B15R2.993 O=C(O)CC1C(=O)NC2=C1C=CC=C2 Z336080924 [0,1,0,0,0,0|0,0,1]=2 80 B15R2.993 O=C(O)CN1C(=O)CC2=C1C=CC=C2 Z234897271 [0,1,0,0,0,0|2,0,0]=3 81 B15R2.993 O=C(O)CN1C(=O)NC2=C1C=CC=C2 Z431996746 [0,1,0,0,0,0|1,0,0]=2 82 B15R2.993 O=C(O)CN1C(=O)OC2=C1C=CC=C2 Z56974908 [0,1,0,0,0,0|2,0,0]=3 83 B15R2.993 O=C(O)CN1C(=S)SC2=C1C=CC=C2 Z57213501 [0,1,0,0,0,0|2,0,0]=3 84 B15R2.1255 C=C(C)C(=O)C1=CNC2=C1C=CC=C2 Z1255433268 [0,1,0,0,0,0|2,0,1]=4 85 B15R2.1255 CC(C(=O)O)N1C=NC2=C1C=CC=C2 Z57841909 [0,1,0,0,0,0|1,0,1]=3 86 B15R2.1255 NC(C(=O)O)C1CCC2=C1C=CC=C2 Z3267202784 [0,1,0,0,0,0|1,0,2]=4 87 B15R2.1255 O=C(O)C(=O)C1=CNC2=C1C=CC=C2 Z381360918 [0,1,0,0,0,0|0,0,1]=2 88 B15R2.9410 CC(=O)NC1=NNC2=C1C=C(C=C2)F Z1098710697 [0,1,0,0,0,0|3,0,0]=4 89 B15R2.9410 CC(N)CC1=CNC2=C1C=C(C=C2)F Z1198156503 [0,1,0,0,0,0|2,0,1]=4 90 B15R2.9410 CC(N)CC1=CNC2=C1C=C(C=C2)O Z1255489555 [0,1,0,0,0,0|2,0,1]=4 91 B15R2.9410 CC1=CC2=C(C=C1)N=CN2CC(=O)O Z1945984220 [0,1,0,0,0,0|1,0,1]=3 92 B15R2.9410 CC1=CC2=C(C=C1)NC=C2CC(=O)O Z1138836786 [0,1,0,0,0,0|0,0,0]=1 93 B15R2.9410 CC1=CC2=C(C=C1)OC=C2CC(=O)O Z57906221 [0,1,0,0,0,0|1,0,0]=2 94 B15R2.9410 CN(C)CC1=CNC2=C1C=C(C=C2)Br Z1269196757 [0,1,0,0,0,0|3,0,0]=4 95 B15R2.9410 NC(=O)CN1C=CC2=C1C=C(C=C2)Cl Z803943168 [0,1,0,0,0,0|3,0,0]=4 96 B15R2.9410 O=C(O)CC1=C2C=C(C=CC2=NS1)Br Z2733644395 [0,1,0,0,0,0|1,0,1]=3 97 B15R2.9410 O=C(O)CC1=CNC2=C1C=C(C=C2)Cl Z1162450206 [0,1,0,0,0,0|0,0,0]=1 98 B15R2.9410 O=C(O)CC1=CSC2=C1C=C(C=C2)Br Z1434712888 [0,1,0,0,0,0|1,0,0]=2 99 B15R2.9410 O=C(O)CC1=CSC2=C1C=C(C=C2)Cl Z1269130758 [0,1,0,0,0,0|1,0,0]=2 100 B15R2.9410 O=C(O)CC1=NOC2=C1C=C(C=C2)Br Z1269167493 [0,1,0,0,0,0|2,0,0]=3 101 B15R2.9410 O=C(O)CC1=NOC2=C1C=C(C=C2)F Z1262525596 [0,1,0,0,0,0|2,0,0]=3 102 B15R2.9410 O=C(O)CC1CCC2=C1C=C(C=C2)O Z1486008032 [0,1,0,0,0,0|1,0,2]=4 103 B15R2.9410 O=C(O)CN1C=CC2=C1C=C(C=C2)Br Z916009482 [0,1,0,0,0,0|2,0,0]=3 104 B15R2.9410 O=C(O)CN1C=CC2=C1C=C(C=C2)Cl Z385445930 [0,1,0,0,0,0|2,0,0]=3 105 B15R2.9410 O=C([O-])CC1CNC2=C1C=C(C=C2)Br Z4135118208 [0,1,0,0,0,0|0,0,3]=4 106 B15R2.13587 CC1=C2NC=C(C2=CC=C1)CC(=O)O Z1198148795 [0,1,0,0,0,0|0,0,0]=1 107 B15R2.13587 NC(=O)CC1=CNC2=C1C=CC=C2Br Z1269130594 [0,1,0,0,0,0|1,0,0]=2 108 B15R2.13587 NC1=C2C=CN(C2=CC=C1)CC(=O)O Z3067530366 [0,1,0,0,0,0|2,0,0]=3 109 B15R2.13587 O=C(O)CC1=CN=C2N1C=CNC2=O Z4521274004 [0,1,0,0,0,0|2,0,1]=4 110 B15R2.13587 O=C(O)CC1=CNC2=C1C=CC=C2Br Z1269161790 [0,1,0,0,0,0|0,0,0]=1 111 B15R2.13587 O=C(O)CC1=CNC2=C1C=CC=C2F Z1198266463 [0,1,0,0,0,0|0,0,0]=1 112 B15R2.13587 O=C(O)CC1=CSC2=C1C=CC=C2Br Z1434712885 [0,1,0,0,0,0|1,0,0]=2 113 B15R2.13587 O=C(O)CC1=CSC2=C1C=CC=C2Cl Z1434712863 [0,1,0,0,0,0|1,0,0]=2 114 B15R2.13587 O=C(O)CC1=CSC2=C1C=CC=C2F Z1434712871 [0,1,0,0,0,0|1,0,0]=2 115 B15R2.13587 O=C(O)CN1C=CC2=C1C=CC=C2Cl Z1269231707 [0,1,0,0,0,0|2,0,0]=3 116 B15R2.13624 CC1=C2C(=CNC2=CC=C1)CC(=O)O Z978942564 [0,1,0,0,0,0|0,0,0]=1 117 B15R2.13624 O=C(O)CC1=CNC2=C1C(=CC=C2)Br Z1269131875 [0,1,0,0,0,0|0,0,0]=1 118 B15R2.13624 O=C(O)CC1=CNC2=C1C(=CC=C2)Cl Z1269128767 [0,1,0,0,0,0|0,0,0]=1 119 B15R2.13624 O=C(O)CC1=CNC2=C1C(=CC=N2)Cl Z2856150067 [0,1,0,0,0,0|1,0,0]=2 120 B15R2.13624 O=C(O)CC1=CSC2=C1C(=CC=C2)Cl Z2733267584 [0,1,0,0,0,0|1,0,0]=2 121 B15R2.13624 O=C(O)CC1=CSC2=C1C(=CC=C2)F Z2732947823 [0,1,0,0,0,0|1,0,0]=2 122 B15R2.53147 CC1=CN(C2=C1C=CC=C2)CC(=O)O Z415654038 [0,1,0,0,0,0|2,0,0]=3 123 B15R2.53147 CN1N=C(C2=C1C=CC=C2)CC(=O)O Z1268483039 [0,1,0,0,0,0|1,0,0]=2 124 B15R2.53147 O=C(O)CC1CC(=O)C2=C1C=CC=C2 Z1255486798 [0,1,0,0,0,0|1,0,2]=4 125 B15R2.53147 O=C(O)CC1NC(=O)C2=C1C=CC=C2 Z1198153244 [0,1,0,0,0,0|2,0,1]=4 126 B15R2.53147 O=C(O)CC1OB(C2=C1C=CC=C2)O Z1262523998 [0,1,0,0,0,0|2,0,1]=4 127 B15R2.53147 O=C(O)CC1OC(=O)C2=C1C=CC=C2 Z57055800 [0,1,0,0,0,0|2,0,1]=4 128 B13R1.90 CCC1=C(C=CC=C1)OCC(=O)O Z56827322 [0,0,1,0,0,0|2,0,1]=4 129 B13R1.90 COC1=C(C=CC=C1)/C=C/C(=O)O Z2311574127 [0,0,1,0,0,0|1,0,2]=4 130 B13R1.90 COC1=C(C=CC=C1)CCC(=O)O Z56943761 [0,0,1,0,0,0|1,0,2]=4 131 B13R1.90 COC1=C(C=CC=C1)NCC(=O)O Z274534682 [0,0,1,0,0,0|2,0,1]=4 132 B13R1.90 COC1=C(C=CC=C1)OCC(=O)O Z56867227 [0,0,1,0,0,0|2,0,1]=4 133 B13R1.90 COC1=C(C=CC=C1)SCC(=O)O Z802638514 [0,0,1,0,0,0|2,0,1]=4 134 B13R1.90 N#CC1=C(C=CC=C1)/C=C/C(=O)O Z57073693 [0,0,1,0,0,0|2,0,1]=4 135 B13R1.90 N#CC1=C(C=CC=C1)CCC(=O)O Z227834792 [0,0,1,0,0,0|2,0,1]=4 136 B13R1.90 N#CC1=C(C=CC=C1)OCC(=O)O Z56824601 [0,0,1,0,0,0|3,0,0]=4 137 B13R1.90 N#CC1=C(C=CC=C1)SCC(=O)O Z335292558 [0,0,1,0,0,0|3,0,0]=4 138 B13R1.90 NCC1=C(C=CC=C1)CCC(=O)O Z3282061068 [0,0,1,0,0,0|2,0,1]=4 139 B13R1.90 O=CC1=C(C=CC=C1)OCC(=O)O Z57313877 [0,0,1,0,0,0|3,0,0]=4 140 B13R1.201 C/C(=C\C(=O)O)/C1=C(C=CC=C1)F Z352747962 [0,0,1,0,0,0|1,0,2]=4 141 B13R1.201 CC(=O)CC(=O)C1=C(C=CC=C1)Cl Z228582702 [0,0,1,0,0,0|3,0,0]=4 142 B13R1.201 CC(CC(=O)O)C1=C(C=CC=C1)Br Z729841796 [0,0,1,0,0,0|1,0,2]=4 143 B13R1.201 CC(CC(=O)O)C1=C(C=CC=C1)F Z352782394 [0,0,1,0,0,0|1,0,2]=4 144 B13R1.201 CC1=C(C=CC=C1)/C(=C/C(=O)O)/C Z352748716 [0,0,1,0,0,0|1,0,2]=4 145 B13R1.201 CC1=C(C=CC=C1)C(C)CC(=O)O Z352782580 [0,0,1,0,0,0|1,0,2]=4 146 B13R1.201 CC1=C(C=CC=C1)C(N)CC(=O)O Z317027322 [0,0,1,0,0,0|2,0,1]=4 147 B13R1.201 CC1=C(C=CC=C1)[C@@H](N)CC(=O)O Z1270399998 [0,0,1,0,0,0|2,0,1]=4 148 B13R1.201 NC(CC(=O)O)C1=C(C=CC=C1)Cl Z56854346 [0,0,1,0,0,0|2,0,1]=4 149 B13R1.201 NC(CC(=O)O)C1=C(C=CC=C1)F Z56782527 [0,0,1,0,0,0|2,0,1]=4 150 B13R1.337 O=C(O)CC/C=C/C1=CC=CC=C1 Z1222331031 [0,0,1,0,0,0|1,0,1]=3 151 B13R1.337 O=C(O)CCC#CC1=CC=CC=C1 Z1262510757 [0,0,1,0,0,0|1,0,2]=4 152 B13R1.337 O=C(O)CCCCC1=CC=CC=C1 Z361415662 [0,0,1,0,0,0|1,0,2]=4 153 B13R1.337 O=C(O)CCCNC1=CC=CC=C1 Z445129480 [0,0,1,0,0,0|0,0,2]=3 154 B13R1.337 O=C(O)CCCOC1=CC=CC=C1 Z104496174 [0,0,1,0,0,0|1,0,2]=4 155 B13R1.337 O=C(O)CCCSC1=CC=CC=C1 Z56862233 [0,0,1,0,0,0|1,0,2]=4 156 B13R1.337 O=C(O)CCNCC1=CC=CC=C1 Z335451288 [0,0,1,0,0,0|2,0,1]=4 157 B13R1.337 O=C(O)CCOCC1=CC=CC=C1 Z316258802 [0,0,1,0,0,0|2,0,1]=4 158 B13R1.337 O=C(O)CCSCC1=CC=CC=C1 Z54671437 [0,0,1,0,0,0|2,0,1]=4 159 B13R1.337 O=C(O)CNCCC1=CC=CC=C1 Z1278590824 [0,0,1,0,0,0|2,0,1]=4 160 B13R1.337 O=C(O)COCCC1=CC=CC=C1 Z362795648 [0,0,1,0,0,0|2,0,1]=4 161 B13R1.337 O=C(O)CSCCC1=CC=CC=C1 Z228588554 [0,0,1,0,0,0|2,0,1]=4 162 B13R1.713 C=CC(CC(=O)O)C1=CC=CC=C1 Z1262511239 [0,0,1,0,0,0|1,0,1]=3 163 B13R1.713 CC/C(=C\C(=O)O)/C1=CC=CC=C1 Z352748324 [0,0,1,0,0,0|1,0,2]=4 164 B13R1.713 CCC(CC(=O)O)C1=CC=CC=C1 Z352782018 [0,0,1,0,0,0|1,0,2]=4 165 B13R1.713 CCN(CC(=O)O)C1=CC=CC=C1 Z763029850 [0,0,1,0,0,0|2,0,1]=4 166 B13R1.713 NCC(CC(=O)O)C1=CC=CC=C1 Z1255487817 [0,0,1,0,0,0|0,0,2]=3 167 B13R1.713 NCC(CC(=O)O)C1=CC=NC=C1 Z2901973961 [0,0,1,0,0,0|1,0,2]=4 168 B15R3.2009 O=C1CC2=C(C1)C3=C(N2)C=CC=C3 Z1255384489 [0,0,0,1,0,0|1,0,0]=2 169 B13R2.72 CC(=O)C1=C2C=CC=CN2N=C1 Z1255463709 [0,0,0,0,1,0|2,0,1]=4 170 B13R2.72 CC(=O)C1=CN=C2N1C=CC=C2 Z1255425112 [0,0,0,0,1,0|2,0,1]=4 171 B13R2.72 CC(=O)C1=CNC2=C1C=CC=N2 Z361892222 [0,0,0,0,1,0|2,0,0]=3 172 B13R2.72 CC(=O)C1=COC2=C1C=CC=C2 Z1066258200 [0,0,0,0,1,0|2,0,0]=3 173 B13R2.72 CC(=O)C1=CSC2=C1C=CC=C2 Z370714364 [0,0,0,0,1,0|2,0,0]=3 174 B13R2.72 CC(=O)C1=NNC2=C1C=CC=C2 Z1198176576 [0,0,0,0,1,0|2,0,0]=3 175 B13R2.72 CC(C)C1=CNC2=C1C=CC=C2 Z1262562313 [0,0,0,0,1,0|2,0,1]=4 176 B13R2.72 CC(O)C1=NNC2=C1C=CC=C2 Z1617999565 [0,0,0,0,1,0|2,0,1]=4 177 B13R2.72 N=C(N)C1=CNC2=C1C=CC=C2 Z3300708685 [0,0,0,0,1,0|2,0,0]=3 178 B13R2.72 NC(=O)C1=CNC2=C1C=CC=C2 Z87615024 [0,0,0,0,1,0|1,0,0]=2 179 B13R2.72 NC(=O)C1=NSC2=C1C=CC=C2 Z1255488848 [0,0,0,0,1,0|3,0,0]=4 180 B13R2.72 NC(=O)C1CNC2=C1C=CC=C2 Z1117856057 [0,0,0,0,1,0|1,0,2]=4 181 B13R2.72 O=C(O)C1=C2C=CC=CC2=NO1 Z1201621664 [0,0,0,0,1,0|1,0,1]=3 182 B13R2.72 O=C(O)C1=C2C=CC=CC2=NS1 Z1198233085 [0,0,0,0,1,0|1,0,1]=3 183 B13R2.72 O=C(O)C1=C2C=CC=CN2C=N1 Z1255387817 [0,0,0,0,1,0|3,0,0]=4 184 B13R2.72 O=C(O)C1=C2C=CC=CN2N=C1 Z1143452918 [0,0,0,0,1,0|1,0,1]=3 185 B13R2.72 O=C(O)C1=C2C=CC=CN2N=N1 Z1262526874 [0,0,0,0,1,0|2,0,1]=4 186 B13R2.72 O=C(O)C1=C2C=CC=NN2N=C1 Z1255387902 [0,0,0,0,1,0|2,0,1]=4 187 B13R2.72 O=C(O)C1=C2C=NC=CN2N=C1 Z1255384163 [0,0,0,0,1,0|2,0,1]=4 188 B13R2.72 O=C(O)C1=C2N=CC=CN2N=C1 Z283862198 [0,0,0,0,1,0|2,0,1]=4 189 B13R2.72 O=C(O)C1=CC=C2N1N=CC=C2 Z1238571370 [0,0,0,0,1,0|3,0,0]=4 190 B13R2.72 O=C(O)C1=CN=C2N1C=CC=C2 Z1201621330 [0,0,0,0,1,0|1,0,1]=3 191 B13R2.72 O=C(O)C1=CN=C2N1C=CC=N2 Z1198268370 [0,0,0,0,1,0|2,0,1]=4 192 B13R2.72 O=C(O)C1=CN=C2N1N=CC=C2 Z1238571561 [0,0,0,0,1,0|2,0,1]=4 193 B13R2.72 O=C(O)C1=CNC2=C1C=CC=C2 Z89283908 [0,0,0,0,1,0|0,0,0]=1 194 B13R2.72 O=C(O)C1=CNC2=C1C=CC=N2 Z385370186 [0,0,0,0,1,0|1,0,0]=2 195 B13R2.72 O=C(O)C1=CNC2=C1C=NC=C2 Z4185705011 [0,0,0,0,1,0|1,0,0]=2 196 B13R2.72 O=C(O)C1=CNC2=C1C=NC=N2 Z1255460317 [0,0,0,0,1,0|2,0,0]=3 197 B13R2.72 O=C(O)C1=CNC2=C1N=CC=C2 Z1945708062 [0,0,0,0,1,0|1,0,0]=2 198 B13R2.72 O=C(O)C1=COC2=C1C=CC=C2 Z897816312 [0,0,0,0,1,0|1,0,0]=2 199 B13R2.72 O=C(O)C1=CSC2=C1C=CC=C2 Z199507040 [0,0,0,0,1,0|1,0,0]=2 200 B13R2.72 O=C(O)C1=CSC2=C1C=CN=C2 Z4925961941 [0,0,0,0,1,0|2,0,0]=3 201 B13R2.72 O=C(O)C1=CSC2=C1C=NC=C2 Z4010561587 [0,0,0,0,1,0|2,0,0]=3 202 B13R2.72 O=C(O)C1=CSC2=C1N=CC=C2 Z1486016114 [0,0,0,0,1,0|2,0,0]=3 203 B13R2.72 O=C(O)C1=NNC2=C1C=CC=C2 Z104497388 [0,0,0,0,1,0|1,0,0]=2 204 B13R2.72 O=C(O)C1=NNC2=C1C=CC=N2 Z1198305721 [0,0,0,0,1,0|2,0,0]=3 205 B13R2.72 O=C(O)C1=NOC2=C1C=CC=N2 Z1813172822 [0,0,0,0,1,0|3,0,0]=4 206 B13R2.72 O=C(O)C1=NSC2=C1C=CC=C2 Z1198157386 [0,0,0,0,1,0|2,0,0]=3 207 B13R2.72 O=C(O)C1CCC2=C1C=CC=C2 Z792377300 [0,0,0,0,1,0|1,0,2]=4 208 B13R2.72 O=C(O)C1COC2=C1C=CC=C2 Z897815480 [0,0,0,0,1,0|1,0,2]=4 209 B13R2.72 O=C(O)C1CSC2=C1C=CC=C2 Z1222331919 [0,0,0,0,1,0|1,0,2]=4 210 B13R2.72 O=[N+]([O-])C1=CNC2=C1C=CC=N2 Z1255431846 [0,0,0,0,1,0|2,0,1]=4 211 B13R2.72 OB(O)C1=CSC2=C1C=CC=C2 Z1255383526 [0,0,0,0,1,0|2,0,1]=4 212 B13R2.687 O=C(O)CC1=CSC2=NC=CN12 Z425435168 [0,0,0,0,1,0|3,0,0]=4 213 B15R2.6 CC(=O)CCC1=C2C=CC=CC2=NN1 Z1638523280 [0,0,0,0,0,1|2,0,1]=4 214 B15R2.6 CC(=O)CCC1=CNC2=C1C=CC=C2 Z276142282 [0,0,0,0,0,1|1,0,0]=2 215 B15R2.6 N=C(N)NCC1=CSC2=C1C=CC=C2 Z1090048388 [0,0,0,0,0,1|3,0,0]=4 216 B15R2.6 NC(=O)CCC1=CNC2=C1C=CC=C2 Z33546345 [0,0,0,0,0,1|1,0,0]=2 217 B15R2.6 O=C(O)/C=C/C1=CSC2=C1C=CC=C2 Z2942853122 [0,0,0,0,0,1|1,0,1]=3 218 B15R2.6 O=C(O)CCC1=CCC2=C1C=CC=C2 Z1262514880 [0,0,0,0,0,1|1,0,0]=2 219 B15R2.6 O=C(O)CCC1=CN=C2N1C=CC=C2 Z5336044044 [0,0,0,0,0,1|1,0,1]=3 220 B15R2.6 O=C(O)CCC1=CN=C2N1C=CC=N2 Z5401661850 [0,0,0,0,0,1|2,0,1]=4 221 B15R2.6 O=C(O)CCC1=CNC2=C1C=CC=C2 Z104482518 [0,0,0,0,0,1|0,0,0]=1 222 B15R2.6 O=C(O)CCC1=CSC2=C1C=CC=C2 Z995104750 [0,0,0,0,0,1|1,0,0]=2 223 B15R2.6 O=C(O)CCC1CCC2=C1C=CC=C2 Z1262511684 [0,0,0,0,0,1|1,0,2]=4 224 B15R2.6 O=C(O)CCN1C=CC2=C1C=CC=C2 Z57316204 [0,0,0,0,0,1|2,0,0]=3 225 B15R2.6 O=C(O)CCN1C=CC2=C1N=CC=C2 Z1216818692 [0,0,0,0,0,1|3,0,0]=4 226 B15R2.6 O=C(O)CCN1N=CC2=C1C=CC=C2 Z57070422 [0,0,0,0,0,1|3,0,0]=4 227 B15R2.6 O=C(O)CON1N=NC2=C1C=CC=C2 Z55928888 [0,0,0,0,0,1|2,0,1]=4 228 B15R2.6 O=C(O)CSC1=NN=C2N1C=CC=C2 Z55118889 [0,0,0,0,0,1|2,0,1]=4 229 B15R2.1668 CC(=O)NC1=CC2=C(C=CC=C2)N=C1 Z240711528 [0,0,0,0,0,1|2,0,1]=4 230 B15R2.1668 CC(=O)NC1=NC2=C(C=CC=C2)C=C1 Z56983730 [0,0,0,0,0,1|3,0,0]=4 231 B15R2.1668 N=C(N)CC1=NC2=C(C=CC=C2)C=C1 Z1272056498 [0,0,0,0,0,1|3,0,0]=4 232 B15R2.1668 NC(=O)CC1=CC2=C(C=CC=C2)C=C1 Z33546100 [0,0,0,0,0,1|2,0,0]=3 233 B15R2.1668 O=C(O)CC1=CC2=C(C=C1)N=CC=C2 Z351482708 [0,0,0,0,0,1|2,0,0]=3 234 B15R2.1668 O=C(O)CC1=CC2=C(C=CC=C2)C=C1 Z56754861 [0,0,0,0,0,1|1,0,0]=2 235 B15R2.1668 O=C(O)CC1=CC2=C(C=CC=C2)N=C1 Z982129790 [0,0,0,0,0,1|0,0,1]=2 236 B15R2.1668 O=C(O)CC1=CC2=C(C=CN=C2)C=C1 Z4909977063 [0,0,0,0,0,1|2,0,0]=3 237 B15R2.1668 O=C(O)CC1CCC2=C(C1)C=CC=C2 Z489292414 [0,0,0,0,0,1|1,0,2]=4 238 B15R2.1668 O=C(O)CC1CCC2=C(N1)C=CC=C2 Z3351996611 [0,0,0,0,0,1|1,0,2]=4 239 B15R2.1668 O=C(O)CC1CNC2=C(S1)C=CC=C2 Z368412990 [0,0,0,0,0,1|0,0,2]=3 240 B15R2.1668 O=C(O)CC1COC2=C(O1)C=CC=C2 Z1198164044 [0,0,0,0,0,1|1,0,2]=4 241 B15R2.1668 O=C(O)CC1CSC2=C(O1)C=CC=C2 Z1508956602 [0,0,0,0,0,1|1,0,2]=4 242 B15R2.68122 CC(=O)NC1=C2C=CC=CC2=CC=C1 Z28155790 [0,0,0,0,0,1|3,0,0]=4 243 B15R2.68122 CC(=O)NC1=C2C=CC=CC2=NC=C1 Z2686442062 [0,0,0,0,0,1|2,0,1]=4 244 B15R2.68122 CC(=O)NC1=C2C=CC=CC2=NC=N1 Z2686442039 [0,0,0,0,0,1|2,0,1]=4 245 B15R2.68122 NC(=O)NC1=C2C=CC=CC2=CC=C1 Z56760711 [0,0,0,0,0,1|3,0,0]=4 246 B15R2.68122 O=C(O)/C=C\1/CCOC2=C1C=CC=C2 Z352748474 [0,0,0,0,0,1|1,0,2]=4 247 B15R2.68122 O=C(O)CC1=C2C=CC=CC2=CC=C1 Z57169437 [0,0,0,0,0,1|1,0,0]=2 248 B15R2.68122 O=C(O)CC1=C2C=CC=CC2=CN=C1 Z2515203657 [0,0,0,0,0,1|0,0,1]=2 249 B15R2.68122 O=C(O)CC1=C2C=CC=NC2=CC=C1 Z1198264558 [0,0,0,0,0,1|2,0,0]=3 250 B15R2.68122 O=C(O)CC1=C2C=CN=CC2=CC=C1 Z2687549129 [0,0,0,0,0,1|2,0,0]=3 251 B15R2.68122 O=C(O)CC1=C2N=CC=CC2=CC=C1 Z221523762 [0,0,0,0,0,1|2,0,0]=3 252 B15R2.68122 O=C(O)CC1CCCC2=C1C=CC=C2 Z352783024 [0,0,0,0,0,1|1,0,2]=4 253 B15R2.68122 O=C(O)CC1CCNC2=C1C=CC=C2 Z3071178982 [0,0,0,0,0,1|0,0,2]=3 254 B15R2.68122 O=C(O)CC1CCOC2=C1C=CC=C2 Z352783086 [0,0,0,0,0,1|1,0,2]=4 255 B15R2.68122 O=C(O)CC1NCCC2=C1C=CC=C2 Z1278581695 [0,0,0,0,0,1|1,0,2]=4 256 B15R2.68122 O=C(O)CC1OCCC2=C1C=CC=C2 Z1098340600 [0,0,0,0,0,1|1,0,2]=4 257 B15R2.68122 O=C(O)C[C@@H]1CCCC2=C1C=CC=C2 Z1262527526 [0,0,0,0,0,1|1,0,2]=4 258 B15R2.68122 O=C(O)C[C@H]1CCCC2=C1C=CC=C2 Z1262518724 [0,0,0,0,0,1|1,0,2]=4 259 B12R1.125 CC1=C(C=CC=C1)/C=C/C(=O)O Z2417574586 [1,0,1,0,0,0|0,0,2]=4 260 B12R1.125 CC1=C(C=CC=C1)CCC(=O)O Z317037960 [1,0,1,0,0,0|0,0,2]=4 261 B12R1.125 CC1=C(C=CC=C1)OCC(=O)O Z56820406 [1,0,1,0,0,0|1,0,1]=4 262 B12R1.125 CC1=C(C=CC=C1)SCC(=O)O Z56870728 [1,0,1,0,0,0|1,0,1]=4 263 B12R1.125 NC(=O)CCC1=C(C=CC=C1)N Z414316848 [1,0,1,0,0,0|1,0,1]=4 264 B12R1.125 NC(=O)CSC1=C(C=CC=C1)N Z57332466 [1,0,1,0,0,0|2,0,0]=4 265 B12R1.125 O=C(O)/C=C/C1=C(C=CC=C1)Br Z2315575361 [1,0,1,0,0,0|1,0,1]=4 266 B12R1.125 O=C(O)/C=C/C1=C(C=CC=C1)Cl Z57264035 [1,0,1,0,0,0|1,0,1]=4 267 B12R1.125 O=C(O)/C=C/C1=C(C=CC=C1)F Z2573655240 [1,0,1,0,0,0|1,0,1]=4 268 B12R1.125 O=C(O)CCC1=C(C=CC=C1)Br Z406704244 [1,0,1,0,0,0|1,0,1]=4 269 B12R1.125 O=C(O)CCC1=C(C=CC=C1)Cl Z56943366 [1,0,1,0,0,0|1,0,1]=4 270 B12R1.125 O=C(O)CCC1=C(C=CC=C1)F Z57991059 [1,0,1,0,0,0|1,0,1]=4 271 B12R1.125 O=C(O)CCC1=C(C=CC=C1)O Z56347225 [1,0,1,0,0,0|1,0,1]=4 272 B12R1.125 O=C(O)CNC1=C(C=CC=C1)Cl Z274534698 [1,0,1,0,0,0|2,0,0]=4 273 B12R1.125 O=C(O)COC1=C(C=CC=C1)Br Z111834298 [1,0,1,0,0,0|2,0,0]=4 274 B12R1.125 O=C(O)COC1=C(C=CC=C1)Cl Z57042068 [1,0,1,0,0,0|2,0,0]=4 275 B12R1.125 O=C(O)COC1=C(C=CC=C1)F Z56823442 [1,0,1,0,0,0|2,0,0]=4 276 B12R1.125 O=C(O)COC1=C(C=CC=C1)O Z56869464 [1,0,1,0,0,0|2,0,0]=4 277 B12R1.125 O=C(O)CSC1=C(C=CC=C1)Br Z56827233 [1,0,1,0,0,0|2,0,0]=4 278 B12R1.125 O=C(O)CSC1=C(C=CC=C1)Cl Z55903470 [1,0,1,0,0,0|2,0,0]=4 279 B12R1.125 O=C(O)CSC1=C(C=CC=C1)F Z55903942 [1,0,1,0,0,0|2,0,0]=4 280 B12R1.125 O=C(O)CSC1=C(C=CC=C1)O Z905204160 [1,0,1,0,0,0|2,0,0]=4 281 B12R1.107 C/C(=C\C(=O)O)/C1=CC=CC=C1 Z352748396 [1,0,1,0,0,0|0,0,2]=4 282 B12R1.107 CC(CC(=O)O)C1=CC=CC=C1 Z56899204 [1,0,1,0,0,0|0,0,2]=4 283 B12R1.107 CN(CC(=O)O)C1=CC=CC=C1 Z1162448842 [1,0,1,0,0,0|1,0,1]=4 284 B12R1.107 NC(CC(=O)O)C1=CC=CC=C1 Z94601171 [1,0,1,0,0,0|0,0,1]=3 285 B12R1.107 NC(CC(=O)O)C1=CC=NC=C1 Z317027344 [1,0,1,0,0,0|1,0,1]=4 286 B12R1.107 N[C@@H](CC(=O)O)C1=CC=CC=C1 Z756925772 [1,0,1,0,0,0|0,0,1]=3 287 B12R1.107 N[C@H](CC(=O)O)C1=CC=CC=C1 Z1696091779 [1,0,1,0,0,0|0,0,1]=3 288 B12R1.107 O=C(O)/C=C(\I)/C1=CC=CC=C1 Z3379426714 [1,0,1,0,0,0|1,0,1]=4 289 B12R1.107 O=C(O)CC(O)C1=CC=CC=C1 Z982132010 [1,0,1,0,0,0|1,0,1]=4 290 B12R1.107 O=C(O)NC(=O)C1=CC=CC=C1 Z56928966 [1,0,1,0,0,0|2,0,0]=4 291 B12R2.1 CCC1=CNC2=C1C=CC=C2 Z1198159100 [2,0,0,0,0,0|0,0,1]=3 292 B12R2.1 CSC1=CNC2=C1C=CC=C2 Z1262562193 [2,0,0,0,0,0|1,0,1]=4 293 B12R2.1 N#CC1=CNC2=C1C=CC=C2 Z57204989 [2,0,0,0,0,0|1,0,1]=4 294 B12R2.1 NCC1=CSC2=C1C=CC=C2 Z425459986 [2,0,0,0,0,0|2,0,0]=4 295 B12R2.1 O=CC1=C2C=CC=CC2=NS1 Z1504687602 [2,0,0,0,0,0|1,0,1]=4 296 B12R2.1 O=CC1=C2C=CC=CN2N=C1 Z1123806715 [2,0,0,0,0,0|1,0,1]=4 297 B12R2.1 O=CC1=CN=C2N1C=CC=C2 Z727564760 [2,0,0,0,0,0|1,0,1]=4 298 B12R2.1 O=CC1=CNC2=C1C=CC=C2 Z56785575 [2,0,0,0,0,0|0,0,0]=2 299 B12R2.1 O=CC1=CNC2=C1C=CC=N2 Z57337365 [2,0,0,0,0,0|1,0,0]=3 300 B12R2.1 O=CC1=CNC2=C1C=CN=C2 Z1198176790 [2,0,0,0,0,0|1,0,0]=3 301 B12R2.1 O=CC1=CNC2=C1C=NC=C2 Z1079456084 [2,0,0,0,0,0|1,0,0]=3 302 B12R2.1 O=CC1=CNC2=C1C=NC=N2 Z1255425239 [2,0,0,0,0,0|2,0,0]=4 303 B12R2.1 O=CC1=CNC2=C1N=CC=C2 Z1203747933 [2,0,0,0,0,0|1,0,0]=3 304 B12R2.1 O=CC1=CNC2=C1N=CC=N2 Z1198277987 [2,0,0,0,0,0|2,0,0]=4 305 B12R2.1 O=CC1=COC2=C1C=CC=C2 Z1197879644 [2,0,0,0,0,0|1,0,0]=3 306 B12R2.1 O=CC1=CSC2=C1C=CC=C2 Z199535912 [2,0,0,0,0,0|1,0,0]=3 307 B12R2.1 O=CC1=NNC2=C1C=CC=C2 Z1065726010 [2,0,0,0,0,0|1,0,0]=3 308 B12R2.1 OCC1=CN=C2N1C=CC=C2 Z1198235297 [2,0,0,0,0,0|1,0,1]=4 309 B12R2.1 OCC1=CNC2=C1C=CC=C2 Z85923165 [2,0,0,0,0,0|0,0,0]=2 310 B12R2.1 OCC1=CNC2=C1C=CN=C2 Z2471603543 [2,0,0,0,0,0|1,0,0]=3 311 B12R2.1 OCC1=CSC2=C1C=CC=C2 Z385370244 [2,0,0,0,0,0|1,0,0]=3 312 B12R2.1 OCC1CNC2=C1C=CC=C2 Z2213893407 [2,0,0,0,0,0|0,0,2]=4 313 B12R2.1 OCN1C=NC2=C1C=CC=C2 Z56926682 [2,0,0,0,0,0|1,0,1]=4 314 B14R1.482 C=CCC1=C(C=CC=C1)OCC(=O)O Z147642680 [0,1,1,0,0,0|2,0,0]=4 315 B14R1.423 O=C(O)/C=C/C(=O)NC1=CC=CC=C1 Z56176633 [0,1,1,0,0,0|0,0,1]=3 316 B14R1.423 O=C(O)CCC(=O)NC1=CC=CC=C1 Z56176896 [0,1,1,0,0,0|0,0,1]=3 317 B14R1.423 O=C(O)CCC(=O)NC1=CN=CC=C1 Z429593776 [0,1,1,0,0,0|1,0,1]=4 318 B14R1.423 O=C(O)CCC(=O)NC1=NC=CC=C1 Z57103931 [0,1,1,0,0,0|1,0,1]=4 319 B14R1.423 O=C(O)CNC(=O)CC1=CC=CC=C1 Z56963417 [0,1,1,0,0,0|2,0,0]=4 320 B14R1.423 O=C(O)CNC(=O)NC1=CC=CC=C1 Z56760696 [0,1,1,0,0,0|1,0,0]=3 321 B14R1.677 O=C(O)CCCNC1=CC=C(C=C1)I Z362772186 [0,1,1,0,0,0|0,0,2]=4 322 B14R1.1019 NCC(CC(=O)O)C1=CC=C(C=C1)Cl Z2569257770 [0,1,1,0,0,0|0,0,2]=4 323 B14R1.1019 NCC(CC(=O)O)C1=CC=C(C=C1)F Z2471610998 [0,1,1,0,0,0|0,0,2]=4 324 B14R1.6455 CC(=O)N(CC(=O)O)C1=CC=CC=C1 Z57724160 [0,1,1,0,0,0|2,0,0]=4 325 B14R1.6455 O=C(O)CC(C(=O)O)C1=CC=CC=C1 Z104478578 [0,1,1,0,0,0|1,0,1]=4 326 B14R2.3 CCNCC1=CNC2=C1C=CC=C2 Z1787158574 [1,1,0,0,0,0|1,0,1]=4 327 B14R2.3 NCCCC1=CNC2=C1C=CC=C2 Z275361382 [1,1,0,0,0,0|1,0,1]=4 328 B14R2.7 CC1=C2NC=C(C2=CC=C1)CC#N Z1198165196 [1,1,0,0,0,0|1,0,1]=4 329 B14R2.7 CC1=C2NC=C(C2=CC=C1)CCN Z1203159755 [1,1,0,0,0,0|1,0,1]=4 330 B14R2.7 N#CCC1=CNC2=C(C=CC=C12)Br Z1269155333 [1,1,0,0,0,0|1,0,1]=4 331 B14R2.7 N#CCC1=CNC2=C(C=CC=C12)Cl Z1198263975 [1,1,0,0,0,0|1,0,1]=4 332 B14R2.7 N#CCC1=CNC2=C(C=CC=C12)F Z1198266461 [1,1,0,0,0,0|1,0,1]=4 333 B14R2.7 NCCC1=CNC2=C1C=CC=C2Br Z3241252952 [1,1,0,0,0,0|1,0,1]=4 334 B14R2.7 NCCC1=CNC2=C1C=CC=C2Cl Z2690204189 [1,1,0,0,0,0|1,0,1]=4 335 B14R2.7 NCCC1=CNC2=C1C=CC=C2F Z2940229235 [1,1,0,0,0,0|1,0,1]=4 336 B14R2.95 O=C(NO)C1=CNC2=C1C=CC=C2 Z88293955 [1,1,0,0,0,0|1,0,1]=4 337 B14R2.467 CC1=CC2=C(C=C1)C(=CN2)CC#N Z410711548 [1,1,0,0,0,0|1,0,1]=4 338 B14R2.467 CC1=CC2=C(C=C1)C(=CN2)CCN Z410711590 [1,1,0,0,0,0|1,0,1]=4 339 B14R2.467 CCCC1=CNC2=C1C=CC(=C2)O Z1216831061 [1,1,0,0,0,0|1,0,1]=4 340 B14R2.467 N#CCC1=CNC2=C1C=CC(=C2)Br Z978942444 [1,1,0,0,0,0|1,0,1]=4 341 B14R2.467 N#CCC1=CNC2=C1C=CC(=C2)Cl Z410711530 [1,1,0,0,0,0|1,0,1]=4 342 B14R2.467 N#CCC1=CNC2=C1C=CC(=C2)F Z410711556 [1,1,0,0,0,0|1,0,1]=4 343 B14R2.467 NCCC1=CNC2=C1C=CC(=C2)Br Z3235022918 [1,1,0,0,0,0|1,0,1]=4 344 B14R2.467 NCCC1=CNC2=C1C=CC(=C2)Cl Z234895789 [1,1,0,0,0,0|1,0,1]=4 345 B14R2.467 NCCC1=CNC2=C1C=CC(=C2)F Z2724334834 [1,1,0,0,0,0|1,0,1]=4 346 B14R2.510 CN1C=C(C2=C1C=CC=C2)CC#N Z1198184446 [1,1,0,0,0,0|1,0,1]=4 347 B14R2.510 CN1C=C(C2=C1C=CC=C2)CCN Z2492749416 [1,1,0,0,0,0|1,0,1]=4 348 B14R2.517 CC1=C(C2=C(N1)C=CC=C2)CC#N Z57921853 [1,1,0,0,0,0|1,0,1]=4 349 B14R2.517 CC1=C(C2=C(N1)C=CC=C2)CCN Z336079656 [1,1,0,0,0,0|1,0,1]=4 350 B14R2.6368 CC1=C2C(=CNC2=CC=C1)CC#N Z410711540 [1,1,0,0,0,0|1,0,1]=4 351 B14R2.6368 CC1=C2C(=CNC2=CC=C1)CCN Z234896787 [1,1,0,0,0,0|1,0,1]=4 352 B14R2.6368 N#CCC1=CNC2=CC=CC(=C12)Br Z1269165311 [1,1,0,0,0,0|1,0,1]=4 353 B14R2.6368 N#CCC1=CNC2=CC=CC(=C12)Cl Z1198155856 [1,1,0,0,0,0|1,0,1]=4 354 B14R2.6368 NCCC1=CNC2=C1C(=CC=C2)Br Z2130641487 [1,1,0,0,0,0|1,0,1]=4 355 B14R2.6368 NCCC1=CNC2=C1C(=CC=C2)F Z3301406433 [1,1,0,0,0,0|1,0,1]=4 356 B14R2.6419 CC1=CC2=C(C=C1)NC=C2CCN Z2106599153 [1,1,0,0,0,0|1,0,1]=4 357 B14R2.6419 N#CCC1=CNC2=C1C=C(C=C2)Br Z410711512 [1,1,0,0,0,0|1,0,1]=4 358 B14R2.6419 N#CCC1=CNC2=C1C=C(C=C2)Cl Z1162450204 [1,1,0,0,0,0|1,0,1]=4 359 B14R2.6419 N#CCC1=CNC2=C1C=C(C=C2)F Z1160903139 [1,1,0,0,0,0|1,0,1]=4 360 B14R2.6419 N#CCC1=CNC2=C1C=C(C=C2)N Z1255366408 [1,1,0,0,0,0|1,0,1]=4 361 B14R2.6419 N#CCC1=CNC2=C1C=C(C=C2)O Z1198149461 [1,1,0,0,0,0|1,0,1]=4 362 B14R2.6419 NCCC1=CNC2=C1C=C(C=C2)Br Z2760930339 [1,1,0,0,0,0|1,0,1]=4 363 B14R2.6419 NCCC1=CNC2=C1C=C(C=C2)Cl Z1266933935 [1,1,0,0,0,0|1,0,1]=4 364 B14R2.6419 NCCC1=CNC2=C1C=C(C=C2)F Z1741960310 [1,1,0,0,0,0|1,0,1]=4 365 B14R2.6419 NCCC1=CNC2=C1C=C(C=C2)O Z1741979085 [1,1,0,0,0,0|1,0,1]=4 366 B14R2.286 CC(C)(O)C1=CNC2=C1C=CC=C2 Z2042092351 [0,1,0,0,1,0|1,0,1]=4 367 B14R2.300 CC(=O)C1=CNC2=C1C=CC(=C2)Br Z916008286 [0,1,0,0,1,0|1,0,0]=3 368 B14R2.300 CC(=O)C1=CNC2=C1C=CC(=C2)Cl Z385445058 [0,1,0,0,1,0|1,0,0]=3 369 B14R2.300 CC(=O)C1=CNC2=C1C=CC(=C2)F Z234897299 [0,1,0,0,1,0|1,0,0]=3 370 B14R2.300 CC1=CC2=C(C=C1)C(=CN2)C(=O)O Z385446074 [0,1,0,0,1,0|0,0,0]=2 371 B14R2.300 CC1=CC2=C(C=C1)C(=CO2)C(=O)O Z2732532560 [0,1,0,0,1,0|1,0,0]=3 372 B14R2.300 CC1=CC2=C(C=C1)C(=CS2)C(=O)O Z1198162465 [0,1,0,0,1,0|1,0,0]=3 373 B14R2.300 CC1=CC2=C(C=C1)C(=NN2)C(=O)O Z1198173186 [0,1,0,0,1,0|1,0,0]=3 374 B14R2.300 CC1=CC2=NC=C(N2C=C1)C(=O)O Z1198158126 [0,1,0,0,1,0|1,0,1]=4 375 B14R2.300 CC1=CC2=NOC(=C2C=C1)C(=O)O Z1201628850 [0,1,0,0,1,0|1,0,1]=4 376 B14R2.300 NC(=O)C1=CNC2=C1C=CC(=C2)N Z2517097636 [0,1,0,0,1,0|1,0,0]=3 377 B14R2.300 NC(=O)C1=COC2=C1C=CC(=C2)F Z1948588649 [0,1,0,0,1,0|2,0,0]=4 378 B14R2.300 NC1=CC2=C(C=C1)C(=CN2)C(=O)O Z802851824 [0,1,0,0,1,0|0,0,0]=2 379 B14R2.300 NC1=CC2=C(C=C1)C(=NN2)C(=O)O Z1198174628 [0,1,0,0,1,0|1,0,0]=3 380 B14R2.300 O=C(O)C1=C2C=CC(=CN2N=C1)Br Z1269129926 [0,1,0,0,1,0|1,0,1]=4 381 B14R2.300 O=C(O)C1=CN=C2N1C=CC(=C2)Br Z1269179880 [0,1,0,0,1,0|1,0,1]=4 382 B14R2.300 O=C(O)C1=CNC2=C1C=CC(=C2)Cl Z385446076 [0,1,0,0,1,0|0,0,0]=2 383 B14R2.300 O=C(O)C1=CNC2=C1C=CC(=C2)F Z385446078 [0,1,0,0,1,0|0,0,0]=2 384 B14R2.300 O=C(O)C1=CNC2=C1C=CC(=C2)O Z1198341555 [0,1,0,0,1,0|0,0,0]=2 385 B14R2.300 O=C(O)C1=COC2=C1C=CC(=C2)F Z1551924183 [0,1,0,0,1,0|1,0,0]=3 386 B14R2.300 O=C(O)C1=COC2=C1C=CC(=C2)O Z1197866402 [0,1,0,0,1,0|1,0,0]=3 387 B14R2.300 O=C(O)C1=CSC2=C1C=CC(=C2)Br Z1618132968 [0,1,0,0,1,0|1,0,0]=3 388 B14R2.300 O=C(O)C1=CSC2=C1N=CC(=C2)Cl Z1269228603 [0,1,0,0,1,0|2,0,0]=4 389 B14R2.300 O=C(O)C1=NOC2=C1C=CC(=C2)Br Z1269135454 [0,1,0,0,1,0|2,0,0]=4 390 B14R2.300 O=C(O)C1=NOC2=C1C=CC(=C2)Cl Z1198182551 [0,1,0,0,1,0|2,0,0]=4 391 B14R2.300 O=C(O)C1=NOC2=C1C=CC(=C2)F Z2582143681 [0,1,0,0,1,0|2,0,0]=4 392 B14R2.300 O=C(O)C1=NSC2=C1C=CC(=C2)Br Z1269172754 [0,1,0,0,1,0|2,0,0]=4 393 B14R2.642 CC(=O)C1=C(NC2=C1C=CC=C2)C Z57205010 [0,1,0,0,1,0|1,0,0]=3 394 B14R2.642 CC(=O)C1=C(OC2=C1C=CC=C2)C Z276572636 [0,1,0,0,1,0|2,0,0]=4 395 B14R2.642 CC1=C(C2=C(N1)C=CC=C2)C(=O)O Z147652322 [0,1,0,0,1,0|0,0,0]=2 396 B14R2.642 CC1=C(C2=C(N1)N=CC=C2)C(=O)O Z1255363703 [0,1,0,0,1,0|1,0,0]=3 397 B14R2.642 CC1=C(C2=C(O1)C=CC=C2)C(=O)O Z1198157052 [0,1,0,0,1,0|1,0,0]=3 398 B14R2.642 CC1=NN2C=CC=CC2=C1C(=O)O Z1255375072 [0,1,0,0,1,0|1,0,1]=4 399 B14R2.642 CN1N=C2C=CC=CC2=C1C(=O)O Z1201624049 [0,1,0,0,1,0|1,0,1]=4 400 B14R2.642 O=C(O)C1=C(N=C2N1C=CC=C2)Cl Z56843575 [0,1,0,0,1,0|1,0,1]=4 401 B14R2.642 O=C(O)C1=C(OC2=C1C=CC=C2)Cl Z1813244866 [0,1,0,0,1,0|1,0,0]=3 402 B14R2.642 O=C(O)C1=C(SC2=C1C=CC=C2)Br Z2044811851 [0,1,0,0,1,0|1,0,0]=3 403 B14R2.5816 CC(=O)C1=CNC2=C1C=C(C=C2)Br Z382706242 [0,1,0,0,1,0|1,0,0]=3 404 B14R2.5816 CC(=O)C1=CNC2=C1C=C(C=C2)C Z1138836442 [0,1,0,0,1,0|1,0,0]=3 405 B14R2.5816 CC(=O)C1=CNC2=C1C=C(C=N2)Br Z1269216632 [0,1,0,0,1,0|2,0,0]=4 406 B14R2.5816 CC(=O)C1=CSC2=C1C=C(C=C2)Br Z1269126890 [0,1,0,0,1,0|2,0,0]=4 407 B14R2.5816 CC1=CC2=C(C=C1)NC=C2C(=O)O Z1138836780 [0,1,0,0,1,0|0,0,0]=2 408 B14R2.5816 CC1=CC2=C(C=C1)NN=C2C(=O)N Z394875046 [0,1,0,0,1,0|2,0,0]=4 409 B14R2.5816 CC1=CC2=C(C=C1)NN=C2C(=O)O Z359384098 [0,1,0,0,1,0|1,0,0]=3 410 B14R2.5816 CC1=CC2=C(C=C1)OC=C2C(=O)O Z1262557910 [0,1,0,0,1,0|1,0,0]=3 411 B14R2.5816 CC1=CC2=C(C=C1)SC=C2C(=O)O Z1262514539 [0,1,0,0,1,0|1,0,0]=3 412 B14R2.5816 CC1=CC2=C(C=C1)SN=C2C(=O)O Z1201628920 [0,1,0,0,1,0|2,0,0]=4 413 B14R2.5816 CC1=CC2=C(C=NN2C=C1)C(=O)O Z1198172892 [0,1,0,0,1,0|1,0,1]=4 414 B14R2.5816 CC1=CN2C(=CN=C2C=C1)C(=O)O Z1198268371 [0,1,0,0,1,0|1,0,1]=4 415 B14R2.5816 NC(=O)C1=NNC2=C1C=C(C=C2)Br Z1173800291 [0,1,0,0,1,0|2,0,0]=4 416 B14R2.5816 NC(=O)C1=NNC2=C1C=C(C=C2)Cl Z1262651069 [0,1,0,0,1,0|2,0,0]=4 417 B14R2.5816 NC(=O)C1=NNC2=C1C=C(C=C2)N Z846915596 [0,1,0,0,1,0|2,0,0]=4 418 B14R2.5816 O=C(O)C1=C2C=C(C=CC2=NN1)I Z1267773707 [0,1,0,0,1,0|1,0,1]=4 419 B14R2.5816 O=C(O)C1=C2C=C(C=CC2=NS1)Br Z1618149419 [0,1,0,0,1,0|1,0,1]=4 420 B14R2.5816 O=C(O)C1=CNC2=C1C=C(C=C2)Br Z147652440 [0,1,0,0,1,0|0,0,0]=2 421 B14R2.5816 O=C(O)C1=CNC2=C1C=C(C=C2)F Z1160903087 [0,1,0,0,1,0|0,0,0]=2 422 B14R2.5816 O=C(O)C1=CNC2=C1C=C(C=N2)Br Z1269130034 [0,1,0,0,1,0|1,0,0]=3 423 B14R2.5816 O=C(O)C1=COC2=C1C=C(C=C2)Br Z1267805736 [0,1,0,0,1,0|1,0,0]=3 424 B14R2.5816 O=C(O)C1=COC2=C1C=C(C=C2)F Z1262556214 [0,1,0,0,1,0|1,0,0]=3 425 B14R2.5816 O=C(O)C1=COC2=C1C=C(C=C2)O Z1255392768 [0,1,0,0,1,0|1,0,0]=3 426 B14R2.5816 O=C(O)C1=CSC2=C1C=C(C=C2)Br Z329734226 [0,1,0,0,1,0|1,0,0]=3 427 B14R2.5816 O=C(O)C1=CSC2=C1C=C(C=C2)F Z1255461980 [0,1,0,0,1,0|1,0,0]=3 428 B14R2.5816 O=C(O)C1=NNC2=C1C=C(C=C2)Br Z1134126538 [0,1,0,0,1,0|1,0,0]=3 429 B14R2.5816 O=C(O)C1=NNC2=C1C=C(C=C2)Cl Z291279216 [0,1,0,0,1,0|1,0,0]=3 430 B14R2.5816 O=C(O)C1=NNC2=C1C=C(C=C2)F Z1198163375 [0,1,0,0,1,0|1,0,0]=3 431 B14R2.5816 O=C(O)C1=NOC2=C1C=C(C=C2)Br Z1269159549 [0,1,0,0,1,0|2,0,0]=4 432 B14R2.5816 O=C(O)C1=NOC2=C1C=C(C=C2)Cl Z2732748776 [0,1,0,0,1,0|2,0,0]=4 433 B14R2.5816 O=[N+]([O-])C1=CNC2=C1C=C(C=C2)Cl Z1198275379 [0,1,0,0,1,0|1,0,1]=4 434 B14R2.8032 CC(=O)C1=CNC2=C1C=CC=C2Br Z1322792947 [0,1,0,0,1,0|1,0,0]=3 435 B14R2.8032 CC(=O)C1=CNC2=C1C=CC=C2C Z1198233123 [0,1,0,0,1,0|1,0,0]=3 436 B14R2.8032 CC(=O)C1=COC2=C1C=CC=C2C Z1255424571 [0,1,0,0,1,0|2,0,0]=4 437 B14R2.8032 CC1=C2OC=C(C2=CC=C1)C(=O)O Z1255381806 [0,1,0,0,1,0|1,0,0]=3 438 B14R2.8032 CC1=CC=CC2=C(C=NN12)C(=O)O Z1255405265 [0,1,0,0,1,0|1,0,1]=4 439 B14R2.8032 CC1=CC=CN2C1=NC=C2C(=O)O Z3691016324 [0,1,0,0,1,0|1,0,1]=4 440 B14R2.8032 O=C(O)C1=CN=C2N1C=CC=C2Br Z1269128095 [0,1,0,0,1,0|1,0,1]=4 441 B14R2.8032 O=C(O)C1=CNC2=C1C=CC=C2Br Z1143220556 [0,1,0,0,1,0|0,0,0]=2 442 B14R2.8032 O=C(O)C1=CNC2=C1C=CC=C2F Z1198266509 [0,1,0,0,1,0|0,0,0]=2 443 B14R2.8032 O=C(O)C1=CNN2C1=NC=CC2=O Z2017842922 [0,1,0,0,1,0|2,0,0]=4 444 B14R2.8032 O=C(O)C1=COC2=C1C=CC=C2F Z1267805638 [0,1,0,0,1,0|1,0,0]=3 445 B14R2.8032 O=C(O)C1=CSC2=C1C=CC=C2Cl Z3242859734 [0,1,0,0,1,0|1,0,0]=3 446 B14R2.8032 O=C(O)C1=CSC2=C1N=CC=C2O Z5229245463 [0,1,0,0,1,0|2,0,0]=4 447 B14R2.8032 O=C(O)C1=NOC2=C1C=CC=C2F Z1262557115 [0,1,0,0,1,0|2,0,0]=4 448 B14R2.8053 CC(=O)C1=CNC2=C1C(=CC=C2)Br Z1322794803 [0,1,0,0,1,0|1,0,0]=3 449 B14R2.8053 CC1=C2C(=CC=C1)NC=C2C(=O)O Z385446072 [0,1,0,0,1,0|0,0,0]=2 450 B14R2.8053 CC1=CC=CN2C1=C(C=N2)C(=O)O Z1255443602 [0,1,0,0,1,0|1,0,1]=4 451 B14R2.8053 O=C(O)C1=C2C(=CC=CN2N=C1)Br Z1416189364 [0,1,0,0,1,0|1,0,1]=4 452 B14R2.8053 O=C(O)C1=C2C(=CC=CN2N=C1)Cl Z1255458794 [0,1,0,0,1,0|1,0,1]=4 453 B14R2.8053 O=C(O)C1=CNC2=C1C(=CC=C2)Br Z1269168514 [0,1,0,0,1,0|0,0,0]=2 454 B14R2.8053 O=C(O)C1=CNC2=C1C(=CC=C2)Cl Z1198174064 [0,1,0,0,1,0|0,0,0]=2 455 B14R2.8053 O=C(O)C1=CNC2=C1C(=CC=C2)F Z1198266510 [0,1,0,0,1,0|0,0,0]=2 456 B14R2.8053 O=C(O)C1=CNC2=C1C(=CC=N2)Br Z1269179670 [0,1,0,0,1,0|1,0,0]=3 457 B14R2.8053 O=C(O)C1=CNC2=C1C(=CC=N2)Cl Z1198235861 [0,1,0,0,1,0|1,0,0]=3 458 B14R2.8053 O=C(O)C1=CNC2=C1C(=NC=N2)Cl Z1198329532 [0,1,0,0,1,0|2,0,0]=4 459 B14R2.8053 O=C(O)C1=COC2=C1C(=CC=C2)O Z1198223688 [0,1,0,0,1,0|1,0,0]=3 460 B14R2.8053 O=C(O)C1=CSC2=C1C(=CC=C2)Br Z1504678741 [0,1,0,0,1,0|1,0,0]=3 461 B14R2.8053 O=C(O)C1=NNC2=C1C(=CC=C2)Br Z1269229158 [0,1,0,0,1,0|1,0,0]=3 462 B14R2.25733 CC(=O)C1=CN(C2=C1C=CC=C2)C Z57070074 [0,1,0,0,1,0|1,0,0]=3 463 B14R2.25733 CN1C=C(C2=C1C=CC=C2)C(=O)N Z101185994 [0,1,0,0,1,0|1,0,0]=3 464 B14R2.25733 CN1C=C(C2=C1C=CC=C2)C(=O)O Z90124414 [0,1,0,0,1,0|0,0,0]=2 465 B14R2.25733 CN1N=C(C2=C1C=CC=C2)C(=O)O Z1090114528 [0,1,0,0,1,0|1,0,0]=3 466 B14R2.5061 CC1=CC2=C(S1)C(=CS2)CC(=O)O Z1508990345 [0,1,0,0,1,0|2,0,0]=4 467 B14R2.5061 CC1=CC2=C(S1)SC=C2CC(=O)O Z1508990224 [0,1,0,0,1,0|2,0,0]=4 468 B16R2.12 CC(CN1C=CC2=C1C=CC=C2)C(=O)O Z431542264 [0,1,0,0,0,1|2,0,0]=4 469 B16R2.12 CC(CN1C=NC2=C1C=CC=C2)C(=O)O Z420848232 [0,1,0,0,0,1|1,0,1]=4 470 B16R2.12 NC(CC1=CNC2=C1C=CC=C2)C(=O)O Z57248626 [0,1,0,0,0,1|0,0,0]=2 471 B16R2.12 NC(CC1=CNC2=C1C=CC=N2)C(=O)O Z1274773112 [0,1,0,0,0,1|1,0,0]=3 472 B16R2.12 NC(CC1=CNC2=C1C=NC=N2)C(=O)O Z2010009926 [0,1,0,0,0,1|2,0,0]=4 473 B16R2.12 NC(CC1=CNC2=C1N=CC=C2)C(=O)O Z2289799514 [0,1,0,0,0,1|1,0,0]=3 474 B16R2.12 NC(CC1=CNC2=C1N=CC=N2)C(=O)O Z1508941507 [0,1,0,0,0,1|2,0,0]=4 475 B16R2.12 NC(CC1=COC2=C1C=CC=C2)C(=O)O Z1416286798 [0,1,0,0,0,1|1,0,0]=3 476 B16R2.12 NC(CC1=CSC2=C1C=CC=C2)C(=O)O Z995104684 [0,1,0,0,0,1|1,0,0]=3 477 B16R2.12 NC(CN1C=NC2=C1C=CC=C2)C(=O)O Z2289798387 [0,1,0,0,0,1|1,0,1]=4 478 B16R2.12 N[C@@H](CC1=CNC2=C1C=CC=C2)C(=O)O Z756440056 [0,1,0,0,0,1|0,0,0]=2 479 B16R2.12 N[C@H](CC1=CNC2=C1C=CC=C2)C(=O)O Z256709618 [0,1,0,0,0,1|0,0,0]=2 480 B16R2.14 C=CC(=O)NCC1=COC2=C1C=CC=C2 Z2867516508 [0,1,0,0,0,1|2,0,0]=4 481 B16R2.14 C=CC(=O)NCC1=CSC2=C1C=CC=C2 Z2738284108 [0,1,0,0,0,1|2,0,0]=4 482 B16R2.14 CNC(=O)CCC1=CNC2=C1C=CC=C2 Z32016249 [0,1,0,0,0,1|1,0,0]=3 483 B16R2.14 COC(=O)CCC1=CNC2=C1C=CC=C2 Z13758675 [0,1,0,0,0,1|0,0,0]=2 484 B16R2.520 CC(CC(=O)O)C1=CNC2=C1C=CC=C2 Z275127490 [0,1,0,0,0,1|0,0,0]=2 485 B16R2.520 CC(CC(=O)O)N1C=NC2=C1C=CC=C2 Z1695740381 [0,1,0,0,0,1|1,0,1]=4 486 B16R2.2976 CC1=CC2=C(C=C1)C(=CN2)CCC(=O)O Z1272912333 [0,1,0,0,0,1|0,0,0]=2 487 B16R2.2976 O=C(O)CCC1=CN=C2N1C=CC(=C2)Br Z5372150272 [0,1,0,0,0,1|1,0,1]=4 488 B16R2.2976 O=C(O)CCC1=CNC2=C1C=CC(=C2)Cl Z1509536927 [0,1,0,0,0,1|0,0,0]=2 489 B16R2.4003 CC1=C(C2=C(N1)C=CC=C2)CCC(=O)O Z57157164 [0,1,0,0,0,1|0,0,0]=2 490 B16R2.4003 CC1=NC2=C(N1CCC(=O)O)C=CC=C2 Z1718361743 [0,1,0,0,0,1|1,0,1]=4 491 B16R2.4003 NC(=O)N/N=C\1/C(=O)NC2=C1C=CC=C2 Z49560581 [0,1,0,0,0,1|2,0,0]=4 492 B16R2.4003 O=C(O)CCC1C(=O)NC2=C1C=CC=C2 Z1508917501 [0,1,0,0,0,1|0,0,1]=3 493 B16R2.4003 O=C(O)CCN1C(=O)OC2=C1C=CC=C2 Z57728665 [0,1,0,0,0,1|2,0,0]=4 494 B16R2.4003 O=C(O)CCN1C(=O)SC2=C1C=CC=C2 Z57728689 [0,1,0,0,0,1|2,0,0]=4 495 B16R2.15551 CC1=CC2=C(C=C1)NC=C2CCC(=O)O Z1276694079 [0,1,0,0,0,1|0,0,0]=2 496 B16R2.15551 O=C(O)CCC1=CN=C2N1C=C(C=C2)Br Z5346930455 [0,1,0,0,0,1|1,0,1]=4 497 B16R2.15551 O=C(O)CCC1=CNC2=C1C=C(C=C2)Br Z1509618627 [0,1,0,0,0,1|0,0,0]=2 498 B16R2.15551 O=C(O)CCN1C=CC2=C1C=C(C=C2)Cl Z385445922 [0,1,0,0,0,1|2,0,0]=4 499 B16R2.22833 CC1=C2NC=C(C2=CC=C1)CCC(=O)O Z1251197519 [0,1,0,0,0,1|0,0,0]=2 500 B16R2.22833 O=C(O)CCC1=CN=C2N1C=CC=C2Br Z5405727258 [0,1,0,0,0,1|1,0,1]=4 501 B16R2.22904 CC1=C2C(=CNC2=CC=C1)CCC(=O)O Z1316679515 [0,1,0,0,0,1|0,0,0]=2 502 B16R2.22904 O=C(O)CCC1=CNC2=C1C(=CC=C2)Br Z1509573127 [0,1,0,0,0,1|0,0,0]=2 503 B16R2.104522 CN1C=C(C2=C1C=CC=C2)/C=C/C(=O)O Z2942853389 [0,1,0,0,0,1|0,0,1]=3 504 B16R2.104522 CN1C=C(C2=C1C=CC=C2)CCC(=O)O Z335290460 [0,1,0,0,0,1|0,0,0]=2 505 B16R2.3989 CC1=C(C=C2C=CC=NC2=N1)CC(=O)O Z4511744214 [0,1,0,0,0,1|1,0,1]=4 506 B16R2.3989 NC(=O)CC1=CC2=C(C=CC=C2)NC1=O Z458888656 [0,1,0,0,0,1|1,0,0]=3 507 B16R2.3989 O=C(O)CC1=CC2=C(C=CC=C2)NC1=O Z382686514 [0,1,0,0,0,1|0,0,0]=2 508 B16R2.3989 O=C(O)CC1=CC2=C(C=CC=C2)OC1=O Z1508918263 [0,1,0,0,0,1|1,0,0]=3 509 B16R2.3989 O=C(O)CC1CC2=C(C=CC=C2)NC1=O Z1508926265 [0,1,0,0,0,1|0,0,1]=3 510 B16R2.3989 O=C(O)CC1OC2=C(C=CC=C2)NC1=O Z57983005 [0,1,0,0,0,1|0,0,1]=3 511 B16R2.3989 O=C(O)CC1SC2=C(C=CC=C2)NC1=O Z56968775 [0,1,0,0,0,1|0,0,1]=3 512 B16R2.5347 COC(=O)CC1=CC2=C(C=CC=C2)C=C1 Z24428842 [0,1,0,0,0,1|1,0,0]=3 513 B16R2.5347 O=C(CC1=CC2=C(C=CC=C2)C=C1)NO Z59184054 [0,1,0,0,0,1|1,0,0]=3 514 B16R2.6284 CC(C(=O)O)C1=CC2=C(C=CC=C2)C=C1 Z792377286 [0,1,0,0,0,1|1,0,0]=3 515 B16R2.6284 NC(=O)C(N)C1=CC2=C(C=CC=C2)C=C1 Z477338152 [0,1,0,0,0,1|2,0,0]=4 516 B16R2.6284 NC(C(=O)O)C1=CC2=C(C=CC=C2)C=C1 Z2028214384 [0,1,0,0,0,1|1,0,0]=3 517 B16R2.6284 O=C(O)C(=O)C1=CC2=C(C=CC=C2)C=C1 Z1508917455 [0,1,0,0,0,1|1,0,1]=4 518 B16R2.11988 O=C(O)CC1=CC2=C(C=C1)C=C(C=C2)O Z1508923768 [0,1,0,0,0,1|1,0,0]=3 519 B16R2.24933 O=C(O)CC1=CC2=C(C=CC=C2)C(=O)N1 Z1509046220 [0,1,0,0,0,1|2,0,0]=4 520 B16R2.83538 O=C(O)CC1=C(C2=C(C=CC=C2)C=C1)Br Z57984227 [0,1,0,0,0,1|1,0,0]=3 521 B16R2.83538 O=C(O)CC1=C(C2=C(C=CC=C2)N=C1)O Z3243471616 [0,1,0,0,0,1|0,0,1]=3 522 B16R2.83538 O=C(O)CN1C=NC2=C(C1=O)C=CC=C2 Z56895681 [0,1,0,0,0,1|1,0,1]=4 523 B16R2.333 O=C(O)CN1C(=O)C=NC2=C1C=CC=C2 Z56347545 [0,1,0,0,0,1|1,0,1]=4 524 B16R2.333 O=C(O)CN1C(=O)CCC2=C1C=CC=C2 Z271097322 [0,1,0,0,0,1|2,0,0]=4 525 B16R2.333 O=C(O)CN1C(=O)COC2=C1C=CC=C2 Z56347458 [0,1,0,0,0,1|2,0,0]=4 526 B16R2.333 O=C(O)CN1C(=O)CSC2=C1C=CC=C2 Z89270869 [0,1,0,0,0,1|2,0,0]=4 527 B16R2.3995 O=C(O)CC1=C2C=CC=CC2=CC(=C1)Cl Z1509521187 [0,1,0,0,0,1|1,0,0]=3 528 B16R2.3995 O=C(O)CC1CC(=O)NC2=C1C=CC=C2 Z1508926223 [0,1,0,0,0,1|0,0,1]=3 529 B16R2.3995 O=C(O)CN1CC(=O)OC2=C1C=CC=C2 Z235344351 [0,1,0,0,0,1|2,0,0]=4 530 B16R2.24414 O=C(O)CC1=C2C=CC=CC2=C(C=C1)Br Z1509529119 [0,1,0,0,0,1|1,0,0]=3 531 B16R2.24414 O=C(O)CC1=C2C=CC=CC2=C(C=C1)O Z1508927484 [0,1,0,0,0,1|1,0,0]=3 532 B16R2.24414 O=C(O)CC1=C2N=CC=CC2=C(C=C1)Cl Z1614455004 [0,1,0,0,0,1|2,0,0]=4 533 B16R2.24414 O=C(O)CC1=NNC(=O)C2=C1C=CC=C2 Z56871698 [0,1,0,0,0,1|1,0,0]=3 534 B16R2.24414 O=C(O)CN1C=CC(=O)C2=C1C=CC=C2 Z815304122 [0,1,0,0,0,1|2,0,0]=4 535 B16R2.24414 O=C(O)CN1N=CC(=O)C2=C1C=CC=C2 Z106938874 [0,1,0,0,0,1|2,0,0]=4 536 B16R2.170412 CNC(=O)CC1=C2C=CC=CC2=CC=C1 Z32016286 [0,1,0,0,0,1|2,0,0]=4 537 B16R2.170412 COC(=O)CC1=C2C=CC=CC2=CC=C1 Z19679503 [0,1,0,0,0,1|1,0,0]=3 538 B16R2.170412 COC(=O)CC1=C2C=CN=CC2=CC=C1 Z1509509613 [0,1,0,0,0,1|2,0,0]=4 539 B16R2.170412 COC(=O)CC1CNCC2=C1C=CC=C2 Z3325701058 [0,1,0,0,0,1|0,0,2]=4 540 B16R2.170412 NNC(=O)CC1=C2C=CC=CC2=CC=C1 Z57205730 [0,1,0,0,0,1|2,0,0]=4 541 B16R2.170412 O=C(CC1=C2C=CC=CC2=CC=C1)NO Z59181929 [0,1,0,0,0,1|1,0,0]=3 542 B16R2.244415 NC(C(=O)O)C1=C2C=CC=CC2=CC=C1 Z2865657276 [0,1,0,0,0,1|1,0,0]=3 543 B16R2.33562 COC(=O)CN1C(=O)OC2=C1C=CC=C2 Z15400258 [0,2,0,0,0,0|2,0,0]=4 544 B16R2.33562 COC(=O)CN1C(=O)SC2=C1C=CC=C2 Z57728841 [0,2,0,0,0,0|2,0,0]=4 545 B16R2.34357 COC(=O)CC1=NOC2=C1C=CC(=C2)Br Z5178963420 [0,2,0,0,0,0|2,0,0]=4 546 B16R2.176317 COC(=O)CC1=CNC2=C1C(=CC=C2)Cl Z1509586342 [0,2,0,0,0,0|0,0,0]=2 547 B16R2.176359 COC(=O)CC1CNC2=C1C=C(C=C2)Br Z4131258013 [0,2,0,0,0,0|0,0,2]=4 548 B16R2.2482 CCC1=CC2=C(C=C1)C(=CO2)CC(=O)O Z56943571 [0,2,0,0,0,0|1,0,0]=3 549 B16R2.2482 COC1=CC2=C(C=C1)C(=CN2)CC(=O)O Z1508926276 [0,2,0,0,0,0|0,0,0]=2 550 B16R2.2482 COC1=CC2=C(C=C1)C(=CO2)CC(=O)O Z56943768 [0,2,0,0,0,0|1,0,0]=3 551 B16R2.2482 COC1=CC2=C(C=C1)N(C=C2)CC(=O)O Z382706780 [0,2,0,0,0,0|2,0,0]=4 552 B16R2.2982 O=C(O)CN1C(=O)CC2=C1C=CC(=C2)F Z1813155410 [0,2,0,0,0,0|2,0,0]=4 553 B16R2.2982 O=C(O)CN1C(=O)OC2=C1C=CC(=C2)Br Z402374770 [0,2,0,0,0,0|2,0,0]=4 554 B16R2.2982 O=C(O)CN1C(=O)SC2=C1C=CC(=C2)Br Z1509669264 [0,2,0,0,0,0|2,0,0]=4 555 B16R2.13690 CC1=C(C=C2C(=COC2=C1)CC(=O)O)C Z55928834 [0,2,0,0,0,0|1,0,0]=3 556 B16R2.24545 CC1=C(C2=C(C=C1)C(=CO2)CC(=O)O)C Z55928899 [0,2,0,0,0,0|1,0,0]=3 557 B16R2.24545 CC1=C2OC=C(C2=CC=C1Cl)CC(=O)O Z2602595587 [0,2,0,0,0,0|1,0,0]=3 558 B16R2.24545 O=C(O)CC1=COC2=C1C=CC(=C2Cl)Cl Z1434712721 [0,2,0,0,0,0|1,0,0]=3 559 B16R2.24545 O=C(O)CC1=COC2=C1C=CC(=C2F)F Z1434712820 [0,2,0,0,0,0|1,0,0]=3 560 B16R2.24600 CC1=CC2=C(C=C1)C(=CN2C)CC(=O)O Z1509702674 [0,2,0,0,0,0|0,0,0]=2 561 B16R2.1625 CCC1=NC2=C(N1CC(=O)O)C=CC=C2 Z56995137 [0,2,0,0,0,0|1,0,1]=4 562 B16R2.4001 CC(=O)CC1(C(=O)NC2=C1C=CC=C2)O Z56757977 [0,2,0,0,0,0|1,0,1]=4 563 B16R2.4002 CC(C(=O)O)N1C(=O)OC2=C1C=CC=C2 Z227266204 [0,2,0,0,0,0|2,0,0]=4 564 B16R2.4002 CC1=C(C2=C(N1)C=CC=C2)C(=O)C(=O)O Z154210920 [0,2,0,0,0,0|0,0,1]=3 565 B16R2.12021 CC1=C(C2=C(N1)C=CC(=C2)Br)CC(=O)O Z381031930 [0,2,0,0,0,0|0,0,0]=2 566 B16R2.12021 CC1=C(C2=C(N1)C=CC(=C2)F)CC(=O)O Z335243288 [0,2,0,0,0,0|0,0,0]=2 567 B16R2.12021 O=C(O)CC1C(=O)NC2=C1C=C(C=C2)F Z1251197787 [0,2,0,0,0,0|0,0,1]=3 568 B16R2.12021 O=C(O)CN1C(=O)OC2=C1C=C(C=C2)Cl Z274762944 [0,2,0,0,0,0|2,0,0]=4 569 B16R2.12021 O=C(O)CN1C(=O)SC2=C1C=C(C=C2)Cl Z1509595068 [0,2,0,0,0,0|2,0,0]=4 570 B16R2.22910 O=C(O)CN1C(=O)OC2=C1C(=CC=C2)F Z1813105285 [0,2,0,0,0,0|2,0,0]=4 571 B16R2.44951 CN1C(=O)N(C2=C1C=CC=C2)CC(=O)O Z227266274 [0,2,0,0,0,0|1,0,0]=3 572 B16R2.93202 O=C(O)CC1C(=O)NC2=C(C=CC=C12)Br Z1251197713 [0,2,0,0,0,0|0,0,1]=3 573 B16R2.104521 CC(C(=O)O)C1=CN(C2=C1C=CC=C2)C Z1508922062 [0,2,0,0,0,0|0,0,0]=2 574 B16R2.42567 COC1=CC2=C(C=C1)NC=C2CC(=O)N Z407486572 [0,2,0,0,0,0|1,0,0]=3 575 B16R2.42567 COC1=CC2=C(C=C1)NC=C2CC(=O)O Z385472506 [0,2,0,0,0,0|0,0,0]=2 576 B16R2.42567 COC1=CC2=C(C=C1)ON=C2CC(=O)O Z1508929123 [0,2,0,0,0,0|2,0,0]=4 577 B16R2.36785 CCC1=C2NC=C(C2=CC=C1)CC(=O)O Z978942544 [0,2,0,0,0,0|0,0,0]=2 578 B16R2.75436 CCN1C=C(C2=C1C=CC=C2)CC(=O)O Z335289908 [0,2,0,0,0,0|0,0,0]=2 579 B16R2.75436 O=CC1=CN(C2=C1C=CC=C2)CC(=O)O Z57625145 [0,2,0,0,0,0|2,0,0]=4 580 B16R2.75436 O=CN1C=C(C2=C1C=CC=C2)CC(=O)O Z1508950727 [0,2,0,0,0,0|0,0,0]=2 581 B14R2.450 CN1C(=CC2=C1C=CC=C2)C(=O)O Z57204959 [0,0,1,1,0,0|0,0,2]=4 582 B14R2.781 O=C(O)C1=CC2=C(C=CC=C2)C=C1 Z104475600 [0,0,1,1,0,0|1,0,1]=4 583 B14R2.781 O=C(O)C1=CC2=C(C=CC=C2)N=C1 Z838909446 [0,0,1,1,0,0|0,0,2]=4 584 B14R2.781 O=C(O)C1CNC2=C(C1)C=CC=C2 Z3241252785 [0,0,1,1,0,0|0,0,2]=4 585 B14R2.781 O=C(O)C1CNC2=C(O1)C=CC=C2 Z90669210 [0,0,1,1,0,0|1,0,1]=4 586 B14R2.19 O=C1CSC(=N1)NC2=CC=CC=C2 Z56839764 [0,0,1,1,0,0|2,0,0]=4 587 B14R2.31359 O=C(O)C1=C2C=CC=CC2=NC=C1 Z104509698 [0,0,1,1,0,0|0,0,2]=4 588 B14R2.31359 O=C(O)C1CC=CC2=C1C=CC=C2 Z1262514070 [0,0,1,1,0,0|1,0,1]=4 589 B14R2.31359 O=C(O)C1CCNC2=C1C=CC=C2 Z2568751807 [0,0,1,1,0,0|0,0,2]=4 590 B14R2.768 NC(=O)CC1=CN2C=CC=CC2=N1 Z90663557 [0,0,1,1,0,0|2,0,0]=4 591 B14R2.768 O=C(O)CC1=CC2=C(C1)C=CC=C2 Z1262511318 [0,0,1,1,0,0|1,0,1]=4 592 B14R2.768 O=C(O)CC1=CC2=C(O1)C=CC=C2 Z235569554 [0,0,1,1,0,0|2,0,0]=4 593 B14R2.768 O=C(O)CC1=CC2=C(S1)C=CC=C2 Z1198265898 [0,0,1,1,0,0|2,0,0]=4 594 B14R2.598 O=C1CC(C(=O)O1)C2=CC=CC=C2 Z99601248 [0,0,1,1,0,0|1,0,1]=4 595 B14R2.1008 O=C(O)CC1=CC2=C(C=C1)NC=C2 Z1198233973 [0,0,1,1,0,0|2,0,0]=4 596 B14R2.1008 O=C(O)CC1=CC2=C(C=CO2)C=C1 Z1262520127 [0,0,1,1,0,0|2,0,0]=4 597 B14R2.9440 CC(=O)NC1=C2NC=CC2=CC=C1 Z1255459547 [0,0,1,1,0,0|2,0,0]=4 598 B14R2.9440 O=C(O)CC1=C2C=COC2=CC=C1 Z1198157078 [0,0,1,1,0,0|2,0,0]=4 599 B14R2.9440 O=C(O)CC1=C2C=CSC2=CC=C1 Z1198151316 [0,0,1,1,0,0|2,0,0]=4 600 B14R2.9440 O=C(O)CC1=C2OC=CC2=CC=C1 Z1262528395 [0,0,1,1,0,0|1,0,0]=3 601 B14R2.9440 O=[N+]([O-])CC1=C2NC=CC2=CC=C1 Z3271364254 [0,0,1,1,0,0|1,0,1]=4 602 B14R3.49 C1=CC2=C(C=C1)C3=C(N2)CCC3 Z57479476 [1,0,0,1,0,0|1,0,1]=4 603 B16R3.2637 OC1=CC2=C(C=C1)C3=C(N2)C=CC=C3 Z56347314 [0,0,0,1,0,1|1,0,1]=4 604 B16R3.335 O=C1CC2=C(O1)C3=C(C=CC=C3)C=C2 Z2378838906 [0,0,0,1,0,1|1,0,0]=3 605 B16R3.2273 O=C1NC2=C(O1)C=C3C=CC=CC3=C2 Z56763438 [0,0,0,1,0,1|2,0,0]=4 606 B12R1.75 CCC1=C(C=CC=C1)CC(=O)O Z1198264425 [0,0,1,0,1,0|1,0,1]=4 607 B12R1.75 COC1=C(C=CC=C1)CC(=O)O Z104485032 [0,0,1,0,1,0|1,0,1]=4 608 B12R1.75 CSC1=C(C=CC=C1)CC(=O)O Z1255403889 [0,0,1,0,1,0|1,0,1]=4 609 B12R1.75 NCC1=C(C=CC=C1)CC(=O)O Z1198163910 [0,0,1,0,1,0|2,0,0]=4 610 B12R1.124 C=C(C(=O)O)C1=C(C=CC=C1)F Z1255374937 [0,0,1,0,1,0|1,0,0]=3 611 B12R1.252 NC(=O)CCNC1=CC=CC=C1 Z154666194 [0,0,1,0,1,0|1,0,1]=4 612 B12R1.252 O=C(O)/C=C/SC1=CC=CC=C1 Z104378002 [0,0,1,0,1,0|1,0,0]=3 613 B12R1.252 O=C(O)CC#CC1=CC=CC=C1 Z976639296 [0,0,1,0,1,0|0,0,2]=4 614 B12R1.252 O=C(O)CCCC1=CC=CC=C1 Z234895119 [0,0,1,0,1,0|0,0,2]=4 615 B12R1.252 O=C(O)CCNC1=CC=CC=C1 Z56899128 [0,0,1,0,1,0|0,0,1]=3 616 B12R1.252 O=C(O)CCNC1=NC=CC=C1 Z285820166 [0,0,1,0,1,0|1,0,1]=4 617 B12R1.252 O=C(O)CCOC1=CC=CC=C1 Z56854475 [0,0,1,0,1,0|1,0,1]=4 618 B12R1.252 O=C(O)CCSC1=CC=CC=C1 Z56821538 [0,0,1,0,1,0|1,0,1]=4 619 B12R1.252 O=C(O)CSCC1=CC=CC=C1 Z19691777 [0,0,1,0,1,0|1,0,1]=4 620 B12R1.478 NCC(C(=O)O)C1=CC=CC=C1 Z1913661007 [0,0,1,0,1,0|0,0,2]=4 621 B14R1.160 CC1=C(C=CC=C1)C(=O)NCC(=O)O Z56983120 [0,0,1,0,0,1|2,0,0]=4 622 B14R1.160 NC1=C(C=CC=C1)C(=O)CCC(=O)O Z4561593840 [0,0,1,0,0,1|1,0,0]=3 623 B14R1.160 NC1=C(C=CC=C1)C(=O)NCC(=O)[O-] Z4994098029 [0,0,1,0,0,1|1,0,1]=4 624 B14R1.160 O=C(O)CCC(=O)C1=C(C=CC=C1)Br Z838955710 [0,0,1,0,0,1|2,0,0]=4 625 B14R1.160 O=C(O)CNC(=O)C1=C(C=CC=C1)Br Z56945486 [0,0,1,0,0,1|2,0,0]=4 626 B14R1.160 O=C(O)CNC(=O)C1=C(C=CC=C1)Cl Z56827160 [0,0,1,0,0,1|2,0,0]=4 627 B14R1.160 O=C(O)CNC(=O)C1=C(C=CC=C1)F Z56822248 [0,0,1,0,0,1|2,0,0]=4 628 B14R1.160 O=C(O)CNC(=O)C1=C(C=CC=C1)I Z85887266 [0,0,1,0,0,1|2,0,0]=4 629 B14R1.160 O=C(O)CNC(=O)C1=C(C=CC=C1)O Z3478749045 [0,0,1,0,0,1|2,0,0]=4 630 B14R1.337 O=C(O)CC(=O)NC1=C(C=CC=C1)O Z1262513035 [0,0,1,0,0,1|2,0,0]=4 631 B14R1.422 O=C(O)CCCNCC1=CC=CC=C1 Z1569708913 [0,0,1,0,0,1|0,0,2]=4 632 B14R1.422 O=C(O)COC/C=C/C1=CC=CC=C1 Z2887852692 [0,0,1,0,0,1|1,0,1]=4 633 B14R2.112 OCCC1=CC2=C(C=CC=C2)C=C1 Z397587214 [1,0,0,0,0,1|1,0,1]=4 634 B14R2.112 OCCC1=NC2=C(C=CC=C2)C=C1 Z1198157695 [1,0,0,0,0,1|1,0,1]=4 635 B14R2.7150 O=CCC1=C2C=CC=CC2=CC=C1 Z1020779918 [1,0,0,0,0,1|1,0,0]=3 636 B14R2.7150 OCCC1=C2C=CC=CC2=NC=C1 Z1198313078 [1,0,0,0,0,1|0,0,2]=4 637 B16R2.36 CC(=O)NCCC1=CNC2=C1C=CC=C2 Z26395416 [0,0,0,0,0,2|1,0,0]=3 638 B16R2.36 N=C(N)NCCC1=CNC2=C1C=CC=C2 Z1089997728 [0,0,0,0,0,2|2,0,0]=4 639 B16R2.36 O=C(O)CCCC1=CNC2=C1C=CC=C2 Z56754864 [0,0,0,0,0,2|0,0,0]=2 640 B16R2.36 O=C(O)CCCC1=CSC2=C1C=CC=C2 Z370714626 [0,0,0,0,0,2|1,0,0]=3 641 B16R2.36 O=C(O)CCCC1=NNC2=C1C=CC=C2 Z1509682641 [0,0,0,0,0,2|1,0,0]=3 642 B16R2.36 O=C(O)CCCN1C=NC2=C1C=CC=C2 Z285049656 [0,0,0,0,0,2|1,0,1]=4 643 B16R2.477 NC(=O)COC1=CC2=C(C=CC=C2)C=C1 Z19834621 [0,0,0,0,0,2|2,0,0]=4 644 B16R2.477 NC(=O)CSC1=NC2=C(C=CC=C2)C=C1 Z19647382 [0,0,0,0,0,2|2,0,0]=4 645 B16R2.477 NC(=O)CSC1=NC2=C(C=CC=C2)N=C1 Z33546141 [0,0,0,0,0,2|1,0,1]=4 646 B16R2.477 O=C(O)/C=C/C1=CC2=C(C=CC=C2)C=C1 Z2942853570 [0,0,0,0,0,2|1,0,1]=4 647 B16R2.477 O=C(O)/C=C/C1=NC2=C(C=CC=C2)C=C1 Z2737710986 [0,0,0,0,0,2|1,0,1]=4 648 B16R2.477 O=C(O)/C=C/C1=NC2=C(C=CC=C2)N=C1 Z56943517 [0,0,0,0,0,2|0,0,2]=4 649 B16R2.477 O=C(O)C/N=C\1/CCC2=C(N1)C=CC=C2 Z425449558 [0,0,0,0,0,2|1,0,1]=4 650 B16R2.477 O=C(O)CCC1=CC2=C(C=CC=C2)C=C1 Z317037912 [0,0,0,0,0,2|1,0,0]=3 651 B16R2.477 O=C(O)CCC1=CC2=C(C=CC=C2)N=C1 Z1272682544 [0,0,0,0,0,2|0,0,1]=3 652 B16R2.477 O=C(O)COC1=CC2=C(C=CC=C2)C=C1 Z57246951 [0,0,0,0,0,2|1,0,0]=3 653 B16R2.477 O=C(O)CSC1=CC2=C(C=CC=C2)C=C1 Z56755986 [0,0,0,0,0,2|1,0,0]=3 654 B16R2.477 O=C(O)CSC1=NC2=C(C=CC=C2)N=C1 Z57040471 [0,0,0,0,0,2|0,0,1]=3 655 B16R2.179941 CC(=O)CCC1=C2C=CC=CC2=CN=C1 Z1233207880 [0,0,0,0,0,2|1,0,1]=4 656 B16R2.179941 CC(=O)COC1=C2C=CC=CC2=NC=N1 Z18537666 [0,0,0,0,0,2|1,0,1]=4 657 B16R2.179941 NC(=O)CNC1=C2C=CC=CC2=CC=C1 Z104644698 [0,0,0,0,0,2|2,0,0]=4 658 B16R2.179941 NC(=O)CNC1=C2C=CC=CC2=NC=N1 Z127860128 [0,0,0,0,0,2|1,0,1]=4 659 B16R2.179941 NC(=O)COC1=C2C=CC=CC2=CC=C1 Z19769010 [0,0,0,0,0,2|2,0,0]=4 660 B16R2.179941 NC(=O)CSC1=C2C=CC=CC2=NC=N1 Z19316000 [0,0,0,0,0,2|1,0,1]=4 661 B16R2.179941 O=C(O)/C=C/C1=C2C=CC=CC2=CC=C1 Z2311958211 [0,0,0,0,0,2|1,0,1]=4 662 B16R2.179941 O=C(O)/C=C/C1=C2C=CC=CC2=CN=C1 Z1172376379 [0,0,0,0,0,2|0,0,2]=4 663 B16R2.179941 O=C(O)/C=C/C1=C2C=CC=CC2=NC=C1 Z1165164552 [0,0,0,0,0,2|0,0,2]=4 664 B16R2.179941 O=C(O)CCC1=C2C=CC=CC2=CC=C1 Z317037922 [0,0,0,0,0,2|1,0,0]=3 665 B16R2.179941 O=C(O)CCC1=C2C=CC=CC2=CN=C1 Z1272682681 [0,0,0,0,0,2|0,0,1]=3 666 B16R2.179941 O=C(O)CCC1=C2C=CC=CC2=NC=C1 Z1165164633 [0,0,0,0,0,2|0,0,1]=3 667 B16R2.179941 O=C(O)CCC1=C2C=CN=CC2=CC=C1 Z3301406443 [0,0,0,0,0,2|2,0,0]=4 668 B16R2.179941 O=C(O)CNC1=C2C=CC=CC2=NC=N1 Z57000603 [0,0,0,0,0,2|0,0,1]=3 669 B16R2.179941 O=C(O)COC1=C2C=CC=CC2=CC=C1 Z56900768 [0,0,0,0,0,2|1,0,0]=3 670 B16R2.179941 O=C(O)COC1=C2C=CC=CC2=NC=N1 Z111781332 [0,0,0,0,0,2|0,0,1]=3 671 B16R2.179941 O=C(O)COC1=C2N=CC=CC2=CC=C1 Z1665253539 [0,0,0,0,0,2|2,0,0]=4 672 B16R2.179941 O=C(O)CSC1=C2C=CC=CC2=CC=N1 Z276158602 [0,0,0,0,0,2|1,0,0]=3 673 B16R2.179941 O=C(O)CSC1=C2C=CC=CC2=NC=N1 Z56754267 [0,0,0,0,0,2|0,0,1]=3