0 B15R2.68122 CC(=O)NC1=C2C=CC=CC2=CC=C1 Z28155790 [0,0,0,0,0,0|2,0,0]=2 1 B15R2.68122 CC(=O)NC1=C2C=CC=CC2=NC=C1 Z2686442062 [0,0,0,0,0,0|3,0,0]=3 2 B15R2.68122 CC(=O)NC1=C2C=CC=CC2=NC=N1 Z2686442039 [0,0,0,0,0,0|4,0,0]=4 3 B15R2.68122 CC(=O)NC1=C2C=CC=NC2=CC=C1 Z29904113 [0,0,0,0,0,0|3,0,0]=3 4 B15R2.68122 CC(=O)NC1=C2N=CC=CC2=CC=C1 Z28487267 [0,0,0,0,0,0|3,0,0]=3 5 B15R2.68122 NC(=O)NC1=C2C=CC=CC2=CC=C1 Z56760711 [0,0,0,0,0,0|2,0,0]=2 6 B15R2.68122 NC(=O)NC1=C2C=CN=CC2=CC=C1 Z409678096 [0,0,0,0,0,0|3,0,0]=3 7 B15R2.68122 O=C(O)/C=C\1/CCOC2=C1C=CC=C2 Z352748474 [0,0,0,0,0,0|1,0,3]=4 8 B15R2.68122 O=C(O)CC1=C2C=CC=CC2=CC=C1 Z57169437 [0,0,0,0,0,0|0,0,0]=0 9 B15R2.68122 O=C(O)CC1=C2C=CC=CC2=CN=C1 Z2515203657 [0,0,0,0,0,0|1,0,0]=1 10 B15R2.68122 O=C(O)CC1=C2C=CC=NC2=CC=C1 Z1198264558 [0,0,0,0,0,0|1,0,0]=1 11 B15R2.68122 O=C(O)CC1=C2C=CN=CC2=CC=C1 Z2687549129 [0,0,0,0,0,0|1,0,0]=1 12 B15R2.68122 O=C(O)CC1=C2N=CC=CC2=CC=C1 Z221523762 [0,0,0,0,0,0|1,0,0]=1 13 B15R2.68122 O=C(O)CC1=C2OCCOC2=CC=C1 Z1262528702 [0,0,0,0,0,0|2,0,2]=4 14 B15R2.68122 O=C(O)CC1=C2SCCCC2=CC=C1 Z2732922290 [0,0,0,0,0,0|1,0,3]=4 15 B15R2.68122 O=C(O)CC1CCCC2=C1C=CC=C2 Z352783024 [0,0,0,0,0,0|0,0,4]=4 16 B15R2.68122 O=C(O)CC1CCNC2=C1C=CC=C2 Z3071178982 [0,0,0,0,0,0|1,0,3]=4 17 B15R2.68122 O=C(O)CC1CCOC2=C1C=CC=C2 Z352783086 [0,0,0,0,0,0|1,0,3]=4 18 B15R2.68122 O=C(O)CC1NCCC2=C1C=CC=C2 Z1278581695 [0,0,0,0,0,0|1,0,3]=4 19 B15R2.68122 O=C(O)CC1OCCC2=C1C=CC=C2 Z1098340600 [0,0,0,0,0,0|1,0,3]=4 20 B15R2.68122 O=C(O)C[C@@H]1CCCC2=C1C=CC=C2 Z1262527526 [0,0,0,0,0,0|0,0,4]=4 21 B15R2.68122 O=C(O)C[C@H]1CCCC2=C1C=CC=C2 Z1262518724 [0,0,0,0,0,0|0,0,4]=4 22 B14R2.7150 CCOC1=C2C=CC=CC2=CC=C1 Z55021536 [1,0,0,0,0,0|2,0,1]=4 23 B14R2.7150 CNCC1=C2C=CC=CC2=CC=C1 Z445129424 [1,0,0,0,0,0|2,0,0]=3 24 B14R2.7150 CNCC1=C2N=CC=CC2=CC=C1 Z4710975379 [1,0,0,0,0,0|3,0,0]=4 25 B14R2.7150 N#CCC1=C2C=CC=CC2=CC=C1 Z285184572 [1,0,0,0,0,0|1,0,1]=3 26 B14R2.7150 N#CCC1=C2C=CC=CC2=CC=N1 Z1255462481 [1,0,0,0,0,0|2,0,1]=4 27 B14R2.7150 N#CCC1=C2N=CC=CC2=CC=C1 Z212044052 [1,0,0,0,0,0|2,0,1]=4 28 B14R2.7150 NCCC1=C2C=CC=CC2=CC=C1 Z285143746 [1,0,0,0,0,0|1,0,1]=3 29 B14R2.7150 NCCC1=C2C=CC=NC2=CC=C1 Z3241223114 [1,0,0,0,0,0|2,0,1]=4 30 B14R2.7150 NNCC1=C2C=CC=CC2=CC=C1 Z406679924 [1,0,0,0,0,0|2,0,0]=3 31 B14R2.7150 O=CCC1=C2C=CC=CC2=CC=C1 Z1020779918 [1,0,0,0,0,0|0,0,0]=1 32 B14R2.7150 OCCC1=C2C=CC=CC2=NC=C1 Z1198313078 [1,0,0,0,0,0|1,0,1]=3 33 B14R2.7150 S=C=NC1=C2C=CC=CC2=CC=C1 Z57358335 [1,0,0,0,0,0|1,1,1]=4 34 B16R2.333 CN(C)CC1=C2C=CC=CC2=CC=C1O Z44110961 [0,1,0,0,0,0|3,0,0]=4 35 B16R2.333 NC(=O)CN1C(=O)C=CC2=C1C=CC=C2 Z1192340195 [0,1,0,0,0,0|2,0,0]=3 36 B16R2.333 NC(=O)CN1C(=O)C=NC2=C1C=CC=C2 Z19025264 [0,1,0,0,0,0|3,0,0]=4 37 B16R2.333 O=C(O)CN1C(=O)C=NC2=C1C=CC=C2 Z56347545 [0,1,0,0,0,0|2,0,0]=3 38 B16R2.333 O=C(O)CN1C(=O)CCC2=C1C=CC=C2 Z271097322 [0,1,0,0,0,0|1,0,2]=4 39 B16R2.333 O=C(O)CN1C(=O)COC2=C1C=CC=C2 Z56347458 [0,1,0,0,0,0|2,0,1]=4 40 B16R2.333 O=C(O)CN1C(=O)CSC2=C1C=CC=C2 Z89270869 [0,1,0,0,0,0|2,0,1]=4 41 B16R2.3995 CC(=O)NC1=C2N=CC=CC2=CC(=C1)Cl Z297118296 [0,1,0,0,0,0|3,0,0]=4 42 B16R2.3995 CC1=CC2=C(N=CC=C2)C(=C1)NC(=O)N Z1565516563 [0,1,0,0,0,0|3,0,0]=4 43 B16R2.3995 O=C(O)CC1=C2C=CC=CC2=CC(=C1)Cl Z1509521187 [0,1,0,0,0,0|0,0,0]=1 44 B16R2.3995 O=C(O)CC1CC(=O)NC2=C1C=CC=C2 Z1508926223 [0,1,0,0,0,0|1,0,2]=4 45 B16R2.3995 O=C(O)CN1CC(=O)OC2=C1C=CC=C2 Z235344351 [0,1,0,0,0,0|2,0,1]=4 46 B16R2.12129 CC(=O)OC1=C2NC(=O)C=CC2=CC=C1 Z839575750 [0,1,0,0,0,0|3,0,0]=4 47 B16R2.24414 CC(=O)NC1=C2C=CC=NC2=C(C=C1)Cl Z288630230 [0,1,0,0,0,0|3,0,0]=4 48 B16R2.24414 CC(=O)OC1=C2C=CC=CC2=C(C=C1)N Z2327203453 [0,1,0,0,0,0|2,0,0]=3 49 B16R2.24414 NC(=O)CN1C=CC(=O)C2=C1C=CC=C2 Z852767170 [0,1,0,0,0,0|2,0,0]=3 50 B16R2.24414 O=C(O)CC1=C2C=CC=CC2=C(C=C1)Br Z1509529119 [0,1,0,0,0,0|0,0,0]=1 51 B16R2.24414 O=C(O)CC1=C2C=CC=CC2=C(C=C1)O Z1508927484 [0,1,0,0,0,0|0,0,0]=1 52 B16R2.24414 O=C(O)CC1=C2N=CC=CC2=C(C=C1)Cl Z1614455004 [0,1,0,0,0,0|1,0,0]=2 53 B16R2.24414 O=C(O)CC1=NNC(=O)C2=C1C=CC=C2 Z56871698 [0,1,0,0,0,0|2,0,0]=3 54 B16R2.24414 O=C(O)CN1C=CC(=O)C2=C1C=CC=C2 Z815304122 [0,1,0,0,0,0|1,0,0]=2 55 B16R2.24414 O=C(O)CN1N=CC(=O)C2=C1C=CC=C2 Z106938874 [0,1,0,0,0,0|2,0,0]=3 56 B16R2.170412 C=CC(=O)NC1=C2C=CC=CC2=CC=C1 Z440633824 [0,1,0,0,0,0|2,0,0]=3 57 B16R2.170412 CCC(=O)NC1=C2N=CC=CC2=CC=C1 Z28487313 [0,1,0,0,0,0|3,0,0]=4 58 B16R2.170412 CNC(=O)CC1=C2C=CC=CC2=CC=C1 Z32016286 [0,1,0,0,0,0|1,0,0]=2 59 B16R2.170412 CNC(=O)NC1=C2C=CC=CC2=CC=C1 Z55293777 [0,1,0,0,0,0|2,0,0]=3 60 B16R2.170412 CNC(=O)OC1=C2C=CC=CC2=CC=C1 Z90123586 [0,1,0,0,0,0|2,0,0]=3 61 B16R2.170412 CNC(=S)NC1=C2C=CC=CC2=CC=C1 Z45799236 [0,1,0,0,0,0|2,1,0]=4 62 B16R2.170412 COC(=O)CC1=C2C=CC=CC2=CC=C1 Z19679503 [0,1,0,0,0,0|0,0,0]=1 63 B16R2.170412 COC(=O)CC1=C2C=CN=CC2=CC=C1 Z1509509613 [0,1,0,0,0,0|1,0,0]=2 64 B16R2.170412 NCC(=O)NC1=C2C=CC=CC2=CC=C1 Z234896387 [0,1,0,0,0,0|2,0,0]=3 65 B16R2.170412 NCC(=O)NC1=C2C=CC=NC2=CC=C1 Z224264858 [0,1,0,0,0,0|3,0,0]=4 66 B16R2.170412 NCC(=O)NC1=C2N=CC=CC2=CC=C1 Z317067342 [0,1,0,0,0,0|3,0,0]=4 67 B16R2.170412 NNC(=O)CC1=C2C=CC=CC2=CC=C1 Z57205730 [0,1,0,0,0,0|1,0,0]=2 68 B16R2.170412 O=C(CC1=C2C=CC=CC2=CC=C1)NO Z59181929 [0,1,0,0,0,0|0,0,0]=1 69 B16R2.170412 O=C(CCl)NC1=C2C=CC=CC2=CC=C1 Z56862401 [0,1,0,0,0,0|2,0,0]=3 70 B16R2.170412 O=C(CCl)NC1=C2C=CC=NC2=CC=C1 Z212044048 [0,1,0,0,0,0|3,0,0]=4 71 B16R2.244415 NC(C(=O)O)C1=C2C=CC=CC2=CC=C1 Z2865657276 [0,1,0,0,0,0|0,0,0]=1 72 B16R2.248309 CS(=O)(=O)CC1=C2C=CC=CC2=CC=C1 Z416962208 [0,1,0,0,0,0|1,0,1]=3 73 B16R2.248309 NS(=O)(=O)CC1=C2C=CC=NC2=CC=C1 Z1622956959 [0,1,0,0,0,0|2,0,1]=4 74 B16R2.248309 NS(=O)(=O)CC1=C2N=CC=CC2=CC=C1 Z385450920 [0,1,0,0,0,0|2,0,1]=4 75 B14R1.422 O=C(O)COC/C=C/C1=CC=CC=C1 Z2887852692 [0,0,1,0,0,0|1,0,1]=3 76 B14R1.482 C=CCC1=C(C=CC=C1)OCC(=O)O Z147642680 [0,0,1,0,0,0|1,0,1]=3 77 B16R3.31 N[C@@H]1C[C@H]1C2=C3C=CC=CC3=CC=C2 Z2298098025 [0,0,0,1,0,0|2,0,1]=4 78 B16R3.335 CC1=NC2=C3C=CC=CC3=CC=C2S1 Z56899182 [0,0,0,1,0,0|2,1,0]=4 79 B16R3.335 NC1=NC2=C(S1)C3=C(C=CC=C3)C=C2 Z119990050 [0,0,0,1,0,0|3,0,0]=4 80 B16R3.335 NC1=NC2=C3C=CC=CC3=CC=C2S1 Z56887668 [0,0,0,1,0,0|2,1,0]=4 81 B16R3.335 O=C1CC2=C(O1)C3=C(C=CC=C3)C=C2 Z2378838906 [0,0,0,1,0,0|2,0,0]=3 82 B16R3.11697 O=S1(=O)NC2=C3C1=CC=CC3=CC=C2 Z104477710 [0,0,0,1,0,0|2,0,1]=4 83 B16R3.27088 O=C1NC2=CC=CC3=CC=CC(=C23)N1 Z366638998 [0,0,0,1,0,0|2,0,0]=3 84 B16R3.27088 SC1=NC2=C3C(=CC=C2)C=CC=C3N1 Z56921435 [0,0,0,1,0,0|2,1,0]=4 85 B14R2.2 CC(=O)CC1=CNC2=C1C=CC=C2 Z277541166 [0,0,0,0,1,0|2,0,0]=3 86 B14R2.2 CC(=O)OC1=CNC2=C1C=CC=C2 Z199464144 [0,0,0,0,1,0|3,0,0]=4 87 B14R2.2 NC(=O)CC1=CNC2=C1C=CC=C2 Z33546521 [0,0,0,0,1,0|2,0,0]=3 88 B14R2.2 NC(=O)CC1=NOC2=C1C=CC=C2 Z101186134 [0,0,0,0,1,0|3,0,0]=4 89 B14R2.2 NC(=O)CC1=NSC2=C1C=CC=C2 Z1198158706 [0,0,0,0,1,0|3,0,0]=4 90 B14R2.2 NC(=O)CN1C=NC2=C1C=CC=C2 Z19648288 [0,0,0,0,1,0|3,0,0]=4 91 B14R2.2 O=C(O)CC1=CN=C2N1C=CC=N2 Z4579553371 [0,0,0,0,1,0|3,0,0]=4 92 B14R2.2 O=C(O)CC1=CN=C2N1N=CC=C2 Z4511427996 [0,0,0,0,1,0|3,0,0]=4 93 B14R2.2 O=C(O)CC1=CNC2=C1C=CC=C2 Z56913182 [0,0,0,0,1,0|1,0,0]=2 94 B14R2.2 O=C(O)CC1=CNC2=C1C=CC=N2 Z978942538 [0,0,0,0,1,0|2,0,0]=3 95 B14R2.2 O=C(O)CC1=CNC2=C1C=CN=C2 Z2213893334 [0,0,0,0,1,0|2,0,0]=3 96 B14R2.2 O=C(O)CC1=COC2=C1C=CC=C2 Z119989454 [0,0,0,0,1,0|1,0,0]=2 97 B14R2.2 O=C(O)CC1=CSC2=C1C=CC=C2 Z432090858 [0,0,0,0,1,0|1,0,0]=2 98 B14R2.2 O=C(O)CC1=NNC2=C1C=CC=C2 Z335442472 [0,0,0,0,1,0|2,0,0]=3 99 B14R2.2 O=C(O)CC1=NOC2=C1C=CC=C2 Z99600464 [0,0,0,0,1,0|2,0,0]=3 100 B14R2.2 O=C(O)CC1=NSC2=C1C=CC=C2 Z1262511380 [0,0,0,0,1,0|2,0,0]=3 101 B14R2.2 O=C(O)CC1CCC2=C1C=CC=C2 Z352782144 [0,0,0,0,1,0|0,0,3]=4 102 B14R2.2 O=C(O)CC1CNC2=C1C=CC=C2 Z1259339975 [0,0,0,0,1,0|1,0,2]=4 103 B14R2.2 O=C(O)CC1COC2=C1C=CC=C2 Z1198234596 [0,0,0,0,1,0|1,0,2]=4 104 B14R2.2 O=C(O)CN1C=CC2=C1C=CC=C2 Z274525914 [0,0,0,0,1,0|1,0,0]=2 105 B14R2.2 O=C(O)CN1C=NC2=C1C=CC=C2 Z237574652 [0,0,0,0,1,0|2,0,0]=3 106 B14R2.2 O=C(O)CN1N=CC2=C1C=CC=C2 Z959320648 [0,0,0,0,1,0|2,0,0]=3 107 B14R2.2 O=C(O)CN1N=CC2=C1N=CC=C2 Z2753922085 [0,0,0,0,1,0|3,0,0]=4 108 B14R2.2 O=C(O)CN1N=NC2=C1C=CC=C2 Z57069978 [0,0,0,0,1,0|3,0,0]=4 109 B14R2.9440 CC(=O)NC1=C2NC=CC2=CC=C1 Z1255459547 [0,0,0,0,1,0|3,0,0]=4 110 B14R2.9440 O=C(O)CC1=C2C=COC2=CC=C1 Z1198157078 [0,0,0,0,1,0|1,0,0]=2 111 B14R2.9440 O=C(O)CC1=C2C=CSC2=CC=C1 Z1198151316 [0,0,0,0,1,0|1,0,0]=2 112 B14R2.9440 O=C(O)CC1=C2OC=CC2=CC=C1 Z1262528395 [0,0,0,0,1,0|1,0,0]=2 113 B14R2.9440 O=C(O)CC1=C2OCOC2=CC=C1 Z1262526091 [0,0,0,0,1,0|2,0,1]=4 114 B14R2.9440 O=C(O)CC1=CC=CC2=NON=C12 Z2732544660 [0,0,0,0,1,0|3,0,0]=4 115 B14R2.9440 O=C(O)CC1=CC=CC2=NSN=C12 Z1262521383 [0,0,0,0,1,0|3,0,0]=4 116 B14R2.9440 O=[N+]([O-])CC1=C2NC=CC2=CC=C1 Z3271364254 [0,0,0,0,1,0|2,0,1]=4 117 B14R2.31359 CC(=O)C1=C2C=CC=CC2=CC=C1 Z104473080 [0,0,0,0,1,0|1,0,0]=2 118 B14R2.31359 CC(=O)C1=C2C=CC=CC2=CC=N1 Z586251254 [0,0,0,0,1,0|2,0,0]=3 119 B14R2.31359 CC(=O)C1=C2C=CN=CC2=CC=C1 Z1021312666 [0,0,0,0,1,0|2,0,0]=3 120 B14R2.31359 CC(=O)C1=C2N=CC=CC2=CC=C1 Z1198148849 [0,0,0,0,1,0|2,0,0]=3 121 B14R2.31359 CC(Br)C1=C2C=CC=CC2=CC=C1 Z381392962 [0,0,0,0,1,0|2,0,1]=4 122 B14R2.31359 CC(N)C1=C2C=CC=CC2=CC=C1 Z104493614 [0,0,0,0,1,0|2,0,1]=4 123 B14R2.31359 CN(C)C1=C2C=CC=CC2=CC=C1 Z57169438 [0,0,0,0,1,0|3,0,0]=4 124 B14R2.31359 NC(=O)C1=C2C=CC=CC2=CC=C1 Z33546921 [0,0,0,0,1,0|1,0,0]=2 125 B14R2.31359 NC(=O)C1=C2C=CC=CC2=NN=C1 Z1262635451 [0,0,0,0,1,0|3,0,0]=4 126 B14R2.31359 NC(=O)C1=C2C=CC=NC2=CC=C1 Z241898556 [0,0,0,0,1,0|2,0,0]=3 127 B14R2.31359 NC(=O)C1=C2C=CN=CC2=CC=C1 Z1302565631 [0,0,0,0,1,0|2,0,0]=3 128 B14R2.31359 NC(=O)C1=C2N=CC=CC2=CC=C1 Z62734446 [0,0,0,0,1,0|2,0,0]=3 129 B14R2.31359 O=C(O)C1=C2C=CC=CC2=CC=N1 Z844451606 [0,0,0,0,1,0|1,0,0]=2 130 B14R2.31359 O=C(O)C1=C2C=CC=CC2=CN=C1 Z234893623 [0,0,0,0,1,0|1,0,0]=2 131 B14R2.31359 O=C(O)C1=C2C=CC=CC2=NC=C1 Z104509698 [0,0,0,0,1,0|1,0,0]=2 132 B14R2.31359 O=C(O)C1=C2C=CC=CC2=NN=C1 Z1255485334 [0,0,0,0,1,0|2,0,0]=3 133 B14R2.31359 O=C(O)C1=C2C=CN=CC2=CC=C1 Z1192357300 [0,0,0,0,1,0|1,0,0]=2 134 B14R2.31359 O=C(O)C1=C2C=CN=CC2=CN=C1 Z1255459678 [0,0,0,0,1,0|2,0,0]=3 135 B14R2.31359 O=C(O)C1=C2C=NC=CC2=CC=N1 Z1255424653 [0,0,0,0,1,0|2,0,0]=3 136 B14R2.31359 O=C(O)C1=C2C=NC=CC2=NC=C1 Z1737940749 [0,0,0,0,1,0|2,0,0]=3 137 B14R2.31359 O=C(O)C1=C2N=CC=CC2=CC=C1 Z85921051 [0,0,0,0,1,0|1,0,0]=2 138 B14R2.31359 O=C(O)C1=C2N=CC=CC2=CC=N1 Z1255420386 [0,0,0,0,1,0|2,0,0]=3 139 B14R2.31359 O=C(O)C1=C2N=CC=NC2=CC=C1 Z1201621887 [0,0,0,0,1,0|2,0,0]=3 140 B14R2.31359 O=C(O)C1CC=CC2=C1C=CC=C2 Z1262514070 [0,0,0,0,1,0|0,0,2]=3 141 B14R2.31359 O=[N+]([O-])C1=C2C=CC=NC2=CC=C1 Z56911975 [0,0,0,0,1,0|2,0,1]=4 142 B14R2.31359 O=[N+]([O-])C1=C2N=CC=CC2=CC=C1 Z57160147 [0,0,0,0,1,0|2,0,1]=4 143 B14R2.31359 OB(O)C1=C2C=CC=CC2=CC=C1 Z336079466 [0,0,0,0,1,0|1,0,1]=3 144 B14R2.31359 OB(O)C1=C2C=CC=CC2=NC=C1 Z1198161562 [0,0,0,0,1,0|2,0,1]=4 145 B14R2.31359 OB(O)C1=C2C=CN=CC2=CC=C1 Z449366046 [0,0,0,0,1,0|2,0,1]=4 146 B14R2.31359 OB(O)C1=C2N=CC=CC2=CC=C1 Z381540916 [0,0,0,0,1,0|2,0,1]=4 147 B16R2.179941 CC(=O)CCC1=C2C=CC=CC2=CN=C1 Z1233207880 [0,0,0,0,0,1|2,0,0]=3 148 B16R2.179941 CC(=O)COC1=C2C=CC=CC2=NC=N1 Z18537666 [0,0,0,0,0,1|3,0,0]=4 149 B16R2.179941 FC(F)CNC1=C2C=CC=CC2=CC=C1 Z608352176 [0,0,0,0,0,1|2,0,1]=4 150 B16R2.179941 N=C(N)NCC1=C2C=CC=CC2=CC=C1 Z2235386909 [0,0,0,0,0,1|2,0,0]=3 151 B16R2.179941 N=C(N)NCC1=C2N=CC=CC2=CC=C1 Z1090038198 [0,0,0,0,0,1|3,0,0]=4 152 B16R2.179941 N=C(N)SCC1=C2C=CC=CC2=CC=C1 Z48820058 [0,0,0,0,0,1|2,0,0]=3 153 B16R2.179941 NC(=O)CNC1=C2C=CC=CC2=CC=C1 Z104644698 [0,0,0,0,0,1|1,0,0]=2 154 B16R2.179941 NC(=O)CNC1=C2C=CC=CC2=NC=N1 Z127860128 [0,0,0,0,0,1|3,0,0]=4 155 B16R2.179941 NC(=O)COC1=C2C=CC=CC2=CC=C1 Z19769010 [0,0,0,0,0,1|1,0,0]=2 156 B16R2.179941 NC(=O)COC1=C2N=CC=CC2=CC=C1 Z19645843 [0,0,0,0,0,1|2,0,0]=3 157 B16R2.179941 NC(=O)CSC1=C2C=CC=CC2=NC=N1 Z19316000 [0,0,0,0,0,1|3,0,0]=4 158 B16R2.179941 O=C(O)/C=C/C1=C2C=CC=CC2=CC=C1 Z2311958211 [0,0,0,0,0,1|0,0,1]=2 159 B16R2.179941 O=C(O)/C=C/C1=C2C=CC=CC2=CN=C1 Z1172376379 [0,0,0,0,0,1|1,0,1]=3 160 B16R2.179941 O=C(O)/C=C/C1=C2C=CC=CC2=NC=C1 Z1165164552 [0,0,0,0,0,1|1,0,1]=3 161 B16R2.179941 O=C(O)/C=C/C1=C2N=CC=CC2=CC=C1 Z2670716103 [0,0,0,0,0,1|1,0,1]=3 162 B16R2.179941 O=C(O)CCC1=C2C=CC=CC2=CC=C1 Z317037922 [0,0,0,0,0,1|0,0,0]=1 163 B16R2.179941 O=C(O)CCC1=C2C=CC=CC2=CN=C1 Z1272682681 [0,0,0,0,0,1|1,0,0]=2 164 B16R2.179941 O=C(O)CCC1=C2C=CC=CC2=NC=C1 Z1165164633 [0,0,0,0,0,1|1,0,0]=2 165 B16R2.179941 O=C(O)CCC1=C2C=CN=CC2=CC=C1 Z3301406443 [0,0,0,0,0,1|1,0,0]=2 166 B16R2.179941 O=C(O)CNC1=C2C=CC=CC2=NC=N1 Z57000603 [0,0,0,0,0,1|2,0,0]=3 167 B16R2.179941 O=C(O)COC1=C2C=CC=CC2=CC=C1 Z56900768 [0,0,0,0,0,1|0,0,0]=1 168 B16R2.179941 O=C(O)COC1=C2C=CC=CC2=NC=N1 Z111781332 [0,0,0,0,0,1|2,0,0]=3 169 B16R2.179941 O=C(O)COC1=C2N=CC=CC2=CC=C1 Z1665253539 [0,0,0,0,0,1|1,0,0]=2 170 B16R2.179941 O=C(O)CSC1=C2C=CC=CC2=CC=N1 Z276158602 [0,0,0,0,0,1|1,0,0]=2 171 B16R2.179941 O=C(O)CSC1=C2C=CC=CC2=NC=N1 Z56754267 [0,0,0,0,0,1|2,0,0]=3 172 B13R1.90 O=CC1=C(C=CC=C1)OCC(=O)O Z57313877 [1,0,1,0,0,0|2,0,0]=4 173 B13R1.713 C=CC(CC(=O)O)C1=CC=CC=C1 Z1262511239 [1,0,1,0,0,0|0,0,1]=3 174 B13R2.1613 BrCC1=C2N=CC=CC2=CC=C1 Z211318946 [2,0,0,0,0,0|2,0,0]=4 175 B13R2.1613 CCC1=C2N=CC=CC2=CC=C1 Z425327454 [2,0,0,0,0,0|1,0,1]=4 176 B13R2.1613 CC[N+]1=C2C=CC=CC2=CC=C1 Z57931441 [2,0,0,0,0,0|1,0,1]=4 177 B13R2.1613 CNC1=C2C=CC=CC2=CC=C1 Z335254222 [2,0,0,0,0,0|1,0,1]=4 178 B13R2.1613 N#CC1=C2C=CC=CC2=CC=C1 Z57899733 [2,0,0,0,0,0|1,0,1]=4 179 B13R2.1613 NCC1=C2C=CC=CC2=CC=C1 Z1263716830 [2,0,0,0,0,0|1,0,0]=3 180 B13R2.1613 NCC1=C2C=CC=CC2=CC=N1 Z220439492 [2,0,0,0,0,0|2,0,0]=4 181 B13R2.1613 NCC1=C2C=CC=CC2=NC=C1 Z2738327329 [2,0,0,0,0,0|2,0,0]=4 182 B13R2.1613 O=CC1=C2C=CC=CC2=CC=C1 Z104472874 [2,0,0,0,0,0|0,0,0]=2 183 B13R2.1613 O=CC1=C2C=CC=CC2=CC=N1 Z1079086438 [2,0,0,0,0,0|1,0,0]=3 184 B13R2.1613 O=CC1=C2C=CC=CC2=CN=C1 Z1162445918 [2,0,0,0,0,0|1,0,0]=3 185 B13R2.1613 O=CC1=C2C=CC=CC2=NC=C1 Z274555868 [2,0,0,0,0,0|1,0,0]=3 186 B13R2.1613 O=CC1=C2C=CC=NC2=CC=C1 Z1079442760 [2,0,0,0,0,0|1,0,0]=3 187 B13R2.1613 O=CC1=C2C=CN=CC2=CC=C1 Z1021313732 [2,0,0,0,0,0|1,0,0]=3 188 B13R2.1613 O=CC1=C2C=NC=CC2=CC=C1 Z1198168242 [2,0,0,0,0,0|1,0,0]=3 189 B13R2.1613 O=CC1=C2N=CC=CC2=CC=C1 Z203978048 [2,0,0,0,0,0|1,0,0]=3 190 B13R2.1613 OCC1=C2C=CC=CC2=CN=C1 Z1079182900 [2,0,0,0,0,0|1,0,0]=3 191 B13R2.1613 OCC1=C2C=CC=NC2=CC=C1 Z1021448144 [2,0,0,0,0,0|1,0,0]=3 192 B13R2.1613 OCC1=C2C=CN=CC2=CC=C1 Z1021316086 [2,0,0,0,0,0|1,0,0]=3 193 B13R2.1613 OCC1=C2N=CC=CC2=CC=C1 Z425721938 [2,0,0,0,0,0|1,0,0]=3 194 B15R1.5919 NC(=O)COC(=O)/C=C/C1=CC=CC=C1 Z19782661 [0,1,1,0,0,0|2,0,0]=4 195 B15R1.5919 O=C(O)CNC(=O)/C=C/C1=CC=CC=C1 Z56883153 [0,1,1,0,0,0|1,0,0]=3 196 B15R1.5919 O=C(O)CNC(=O)/C=C/C1=CN=CC=C1 Z2312404046 [0,1,1,0,0,0|2,0,0]=4 197 B15R1.1180 C/C=C/COC1=CC(=CC=C1)CC(=O)O Z816000552 [0,1,1,0,0,0|0,0,2]=4 198 B15R1.3839 C=CC(=O)NC1=CC=CC(=C1)CC(=O)O Z1259180026 [0,1,1,0,0,0|1,0,0]=3 199 B15R1.3845 C=CC(=O)NC1=C(C=CC=C1)CC(=O)O Z992496654 [0,1,1,0,0,0|1,0,0]=3 200 B15R2.4382 O=C=NC1=C2C=CC=CC2=C(C=C1)Br Z2230712349 [1,1,0,0,0,0|1,0,1]=4 201 B15R2.4382 O=CCC1=C2C=CC=CC2=C(C=C1)Br Z2692247372 [1,1,0,0,0,0|0,0,0]=2 202 B15R2.18471 BrCCCC1=C2C=CC=CC2=CC=C1 Z993019496 [1,1,0,0,0,0|1,0,1]=4 203 B15R2.18471 C#CCNC1=C2C=CC=CC2=CC=C1 Z267203506 [1,1,0,0,0,0|1,0,1]=4 204 B15R2.18471 CCCNC1=C2C=CC=CC2=CC=C1 Z334888486 [1,1,0,0,0,0|1,0,1]=4 205 B15R2.18471 CNCCC1=C2C=CC=CC2=CC=C1 Z385447156 [1,1,0,0,0,0|1,0,1]=4 206 B15R2.18471 NCCCC1=C2C=CC=CC2=CC=C1 Z4824791602 [1,1,0,0,0,0|1,0,1]=4 207 B15R2.18471 NCCNC1=C2C=CC=CC2=CC=C1 Z104474916 [1,1,0,0,0,0|1,0,1]=4 208 B15R2.18471 NCCOC1=C2C=CC=CC2=CC=C1 Z600428460 [1,1,0,0,0,0|1,0,1]=4 209 B15R2.18471 OCCCC1=C2C=CC=CC2=CC=C1 Z993012474 [1,1,0,0,0,0|0,0,1]=3 210 B15R2.18471 OCCOC1=C2C=CC=CC2=NC=C1 Z1255367730 [1,1,0,0,0,0|1,0,1]=4 211 B15R2.79765 C/C(=N\O)/C1=C2C=CC=CC2=CC=C1 Z3463210647 [1,1,0,0,0,0|1,0,1]=4 212 B15R2.79765 CNC(C)C1=C2C=CC=CC2=CC=C1 Z159528270 [1,1,0,0,0,0|2,0,0]=4 213 B15R2.79765 N/C(=N\O)/C1=C2C=CC=CC2=CC=C1 Z381355866 [1,1,0,0,0,0|1,0,1]=4 214 B15R2.79765 NCC(O)C1=C2C=CC=CC2=CC=C1 Z336086540 [1,1,0,0,0,0|1,0,1]=4 215 B15R2.79765 O=CC(=O)C1=C2C=CC=CC2=CC=C1 Z2962178470 [1,1,0,0,0,0|0,0,1]=3 216 B15R2.4 COC(=O)CC1=CNC2=C1C=CC=C2 Z18279395 [0,1,0,0,1,0|1,0,0]=3 217 B15R2.4 NNC(=O)CC1=CNC2=C1C=CC=C2 Z56939166 [0,1,0,0,1,0|2,0,0]=4 218 B15R2.4 NNC(=O)CN1C=CC2=C1C=CC=C2 Z223656244 [0,1,0,0,1,0|2,0,0]=4 219 B15R2.4 O=C(CC1=CNC2=C1C=CC=C2)NO Z59181979 [0,1,0,0,1,0|1,0,0]=3 220 B15R2.377 CC1=CC2=C(C=C1)C(=CN2)CC(=O)O Z940713560 [0,1,0,0,1,0|1,0,0]=3 221 B15R2.377 CC1=CC2=C(C=C1)C(=CO2)CC(=O)O Z56776913 [0,1,0,0,1,0|1,0,0]=3 222 B15R2.377 NC(=O)CC1=CNC2=C1C=CC(=C2)F Z997948672 [0,1,0,0,1,0|2,0,0]=4 223 B15R2.377 O=C(O)CC1=CNC2=C1C=CC(=C2)Br Z978942580 [0,1,0,0,1,0|1,0,0]=3 224 B15R2.377 O=C(O)CC1=CNC2=C1C=CC(=C2)Cl Z940713564 [0,1,0,0,1,0|1,0,0]=3 225 B15R2.377 O=C(O)CC1=CNC2=C1C=CC(=C2)F Z927291412 [0,1,0,0,1,0|1,0,0]=3 226 B15R2.377 O=C(O)CC1=COC2=C1C=CC(=C2)Cl Z1269129100 [0,1,0,0,1,0|1,0,0]=3 227 B15R2.377 O=C(O)CC1=COC2=C1C=CC(=C2)O Z56983130 [0,1,0,0,1,0|1,0,0]=3 228 B15R2.377 O=C(O)CC1=CSC2=C1C=CC(=C2)Br Z2733638462 [0,1,0,0,1,0|1,0,0]=3 229 B15R2.377 O=C(O)CC1=CSC2=C1C=CC(=C2)Cl Z2733267599 [0,1,0,0,1,0|1,0,0]=3 230 B15R2.377 O=C(O)CC1=NOC2=C1C=CC(=C2)F Z1255451112 [0,1,0,0,1,0|2,0,0]=4 231 B15R2.377 O=C(O)CN1C=CC2=C1C=CC(=C2)Br Z382706468 [0,1,0,0,1,0|1,0,0]=3 232 B15R2.377 O=C(O)CN1C=CC2=C1C=CC(=C2)F Z1160903217 [0,1,0,0,1,0|1,0,0]=3 233 B15R2.993 CC1=C(C2=C(N1)C=CC=C2)CC(=O)N Z339563896 [0,1,0,0,1,0|2,0,0]=4 234 B15R2.993 CC1=C(C2=C(N1)C=CC=C2)CC(=O)O Z335447192 [0,1,0,0,1,0|1,0,0]=3 235 B15R2.993 CC1=C(C2=C(O1)C=CC=C2)CC(=O)O Z1262521044 [0,1,0,0,1,0|1,0,0]=3 236 B15R2.993 CC1=CC2=C(N1CC(=O)O)C=CC=C2 Z104341874 [0,1,0,0,1,0|1,0,0]=3 237 B15R2.993 CC1=NC2=C(N1CC(=O)O)C=CC=C2 Z56812811 [0,1,0,0,1,0|2,0,0]=4 238 B15R2.993 O=C(O)/C=C\1/C(=O)NC2=C1C=CC=C2 Z56827367 [0,1,0,0,1,0|1,0,1]=4 239 B15R2.993 O=C(O)CC1=C(SC2=C1C=CC=C2)Br Z3681807548 [0,1,0,0,1,0|1,0,0]=3 240 B15R2.993 O=C(O)CC1C(=O)NC2=C1C=CC=C2 Z336080924 [0,1,0,0,1,0|1,0,1]=4 241 B15R2.993 O=C(O)CN1C(=O)CC2=C1C=CC=C2 Z234897271 [0,1,0,0,1,0|1,0,1]=4 242 B15R2.993 O=C(O)CN1C(=O)NC2=C1C=CC=C2 Z431996746 [0,1,0,0,1,0|2,0,0]=4 243 B15R2.993 O=C(O)CN1C(=O)OC2=C1C=CC=C2 Z56974908 [0,1,0,0,1,0|2,0,0]=4 244 B15R2.993 O=C(O)CN1C(=S)SC2=C1C=CC=C2 Z57213501 [0,1,0,0,1,0|2,0,0]=4 245 B15R2.1255 CC(C(=O)O)N1C=NC2=C1C=CC=C2 Z57841909 [0,1,0,0,1,0|2,0,0]=4 246 B15R2.1255 O=C(O)C(=O)C1=CNC2=C1C=CC=C2 Z381360918 [0,1,0,0,1,0|1,0,1]=4 247 B15R2.9410 CC1=CC2=C(C=C1)N=CN2CC(=O)O Z1945984220 [0,1,0,0,1,0|2,0,0]=4 248 B15R2.9410 CC1=CC2=C(C=C1)NC=C2CC(=O)O Z1138836786 [0,1,0,0,1,0|1,0,0]=3 249 B15R2.9410 CC1=CC2=C(C=C1)OC=C2CC(=O)O Z57906221 [0,1,0,0,1,0|1,0,0]=3 250 B15R2.9410 NC(=O)CN1C=CC2=C1C=C(C=C2)Cl Z803943168 [0,1,0,0,1,0|2,0,0]=4 251 B15R2.9410 O=C(O)CC1=C2C=C(C=CC2=NS1)Br Z2733644395 [0,1,0,0,1,0|2,0,0]=4 252 B15R2.9410 O=C(O)CC1=CNC2=C1C=C(C=C2)Cl Z1162450206 [0,1,0,0,1,0|1,0,0]=3 253 B15R2.9410 O=C(O)CC1=CSC2=C1C=C(C=C2)Br Z1434712888 [0,1,0,0,1,0|1,0,0]=3 254 B15R2.9410 O=C(O)CC1=CSC2=C1C=C(C=C2)Cl Z1269130758 [0,1,0,0,1,0|1,0,0]=3 255 B15R2.9410 O=C(O)CC1=NOC2=C1C=C(C=C2)Br Z1269167493 [0,1,0,0,1,0|2,0,0]=4 256 B15R2.9410 O=C(O)CC1=NOC2=C1C=C(C=C2)F Z1262525596 [0,1,0,0,1,0|2,0,0]=4 257 B15R2.9410 O=C(O)CN1C=CC2=C1C=C(C=C2)Br Z916009482 [0,1,0,0,1,0|1,0,0]=3 258 B15R2.9410 O=C(O)CN1C=CC2=C1C=C(C=C2)Cl Z385445930 [0,1,0,0,1,0|1,0,0]=3 259 B15R2.13587 CC1=C2NC=C(C2=CC=C1)CC(=O)O Z1198148795 [0,1,0,0,1,0|1,0,0]=3 260 B15R2.13587 NC(=O)CC1=CNC2=C1C=CC=C2Br Z1269130594 [0,1,0,0,1,0|2,0,0]=4 261 B15R2.13587 NC1=C2C=CN(C2=CC=C1)CC(=O)O Z3067530366 [0,1,0,0,1,0|1,0,0]=3 262 B15R2.13587 O=C(O)CC1=CNC2=C1C=CC=C2Br Z1269161790 [0,1,0,0,1,0|1,0,0]=3 263 B15R2.13587 O=C(O)CC1=CNC2=C1C=CC=C2F Z1198266463 [0,1,0,0,1,0|1,0,0]=3 264 B15R2.13587 O=C(O)CC1=CSC2=C1C=CC=C2Br Z1434712885 [0,1,0,0,1,0|1,0,0]=3 265 B15R2.13587 O=C(O)CC1=CSC2=C1C=CC=C2Cl Z1434712863 [0,1,0,0,1,0|1,0,0]=3 266 B15R2.13587 O=C(O)CC1=CSC2=C1C=CC=C2F Z1434712871 [0,1,0,0,1,0|1,0,0]=3 267 B15R2.13587 O=C(O)CN1C=CC2=C1C=CC=C2Cl Z1269231707 [0,1,0,0,1,0|1,0,0]=3 268 B15R2.13624 CC1=C2C(=CNC2=CC=C1)CC(=O)O Z978942564 [0,1,0,0,1,0|1,0,0]=3 269 B15R2.13624 O=C(O)CC1=CNC2=C1C(=CC=C2)Br Z1269131875 [0,1,0,0,1,0|1,0,0]=3 270 B15R2.13624 O=C(O)CC1=CNC2=C1C(=CC=C2)Cl Z1269128767 [0,1,0,0,1,0|1,0,0]=3 271 B15R2.13624 O=C(O)CC1=CNC2=C1C(=CC=N2)Cl Z2856150067 [0,1,0,0,1,0|2,0,0]=4 272 B15R2.13624 O=C(O)CC1=CSC2=C1C(=CC=C2)Cl Z2733267584 [0,1,0,0,1,0|1,0,0]=3 273 B15R2.13624 O=C(O)CC1=CSC2=C1C(=CC=C2)F Z2732947823 [0,1,0,0,1,0|1,0,0]=3 274 B15R2.53147 CC1=CN(C2=C1C=CC=C2)CC(=O)O Z415654038 [0,1,0,0,1,0|1,0,0]=3 275 B15R2.53147 CN1N=C(C2=C1C=CC=C2)CC(=O)O Z1268483039 [0,1,0,0,1,0|2,0,0]=4 276 B15R2.53147 O=C(O)CC1CC(=O)C2=C1C=CC=C2 Z1255486798 [0,1,0,0,1,0|0,0,2]=4 277 B15R2.53147 O=C(O)CC1NC(=O)C2=C1C=CC=C2 Z1198153244 [0,1,0,0,1,0|1,0,1]=4 278 B15R2.53147 O=C(O)CC1OC(=O)C2=C1C=CC=C2 Z57055800 [0,1,0,0,1,0|1,0,1]=4 279 B15R2.8 CC1=CSC2=C1C=CC=C2CC(=O)O Z2732884808 [0,1,0,0,1,0|1,0,0]=3 280 B15R2.384 CC1=CC2=C(C=C1)C(=CC=N2)C(=O)O Z1262520969 [0,1,0,0,1,0|1,0,0]=3 281 B15R2.384 O=C(O)C1=C2C=CC(=CC2=CC=C1)Cl Z1267886443 [0,1,0,0,1,0|0,0,0]=2 282 B15R2.384 O=C(O)C1=C2C=CC(=CC2=CC=C1)F Z1198269946 [0,1,0,0,1,0|0,0,0]=2 283 B15R2.384 O=C(O)C1=C2C=CC(=CC2=CC=N1)Br Z1269178834 [0,1,0,0,1,0|1,0,0]=3 284 B15R2.384 O=C(O)C1=C2C=CC(=CC2=CN=C1)Cl Z1416199308 [0,1,0,0,1,0|1,0,0]=3 285 B15R2.384 O=C(O)C1=C2C=CC(=CC2=NC=C1)Cl Z1269240013 [0,1,0,0,1,0|1,0,0]=3 286 B15R2.384 O=C(O)C1=C2C=CC(=NC2=CC=C1)O Z1198334221 [0,1,0,0,1,0|1,0,0]=3 287 B15R2.384 O=C(O)C1=C2C=NC(=CC2=CC=C1)O Z1486032512 [0,1,0,0,1,0|1,0,0]=3 288 B15R2.384 O=C(O)C1=C2N=CC(=CC2=CC=C1)Br Z1224488774 [0,1,0,0,1,0|1,0,0]=3 289 B15R2.384 O=C(O)C1=C2N=CC(=CC2=CC=C1)I Z1318256178 [0,1,0,0,1,0|1,0,0]=3 290 B15R2.384 O=C(O)C1=C2N=CC(=CC2=NC=C1)F Z1889706187 [0,1,0,0,1,0|2,0,0]=4 291 B15R2.988 CC(=O)C1=C2C=CC=CC2=NC(=C1)Cl Z1939443577 [0,1,0,0,1,0|2,0,0]=4 292 B15R2.988 CC1=CC2=C(C=NC=C2)C(=C1)C(=O)O Z1486017979 [0,1,0,0,1,0|1,0,0]=3 293 B15R2.988 CC1=CC2=C(N=CC=C2)C(=C1)C(=O)O Z1255416109 [0,1,0,0,1,0|1,0,0]=3 294 B15R2.988 CC1=NC2=C(C=CC=C2)C(=C1)C(=O)N Z33546322 [0,1,0,0,1,0|2,0,0]=4 295 B15R2.988 CC1=NC2=C(C=CC=C2)C(=C1)C(=O)O Z56756342 [0,1,0,0,1,0|1,0,0]=3 296 B15R2.988 NC(=O)C1=C2C=CC=CC2=CC(=C1)Br Z1144457162 [0,1,0,0,1,0|1,0,0]=3 297 B15R2.988 NC(=O)C1=C2C=CC=CC2=NC(=C1)Cl Z57153032 [0,1,0,0,1,0|2,0,0]=4 298 B15R2.988 NC(=O)C1=C2C=CC=CC2=NC(=C1)O Z33546970 [0,1,0,0,1,0|2,0,0]=4 299 B15R2.988 NC(=O)C1=C2C=CC=CC2=NC(=C1)S Z237530852 [0,1,0,0,1,0|2,0,0]=4 300 B15R2.988 NC(=O)C1=C2N=CC=CC2=CC(=C1)F Z1416163215 [0,1,0,0,1,0|2,0,0]=4 301 B15R2.988 NC1=CC2=C(C=CC=C2)C(=C1)C(=O)O Z1083218600 [0,1,0,0,1,0|0,0,0]=2 302 B15R2.988 NC1=NC2=C(C=CC=C2)C(=N1)C(=O)O Z1255505290 [0,1,0,0,1,0|2,0,0]=4 303 B15R2.988 O=C(Cl)C1=C2C=CC=CC2=NC(=C1)Cl Z119988648 [0,1,0,0,1,0|2,0,0]=4 304 B15R2.988 O=C(O)C1=C2C=CC=CC2=CC(=C1)Br Z1083218602 [0,1,0,0,1,0|0,0,0]=2 305 B15R2.988 O=C(O)C1=C2C=CC=CC2=CC(=C1)Cl Z1269213491 [0,1,0,0,1,0|0,0,0]=2 306 B15R2.988 O=C(O)C1=C2C=CC=CC2=CC(=C1)F Z1147473997 [0,1,0,0,1,0|0,0,0]=2 307 B15R2.988 O=C(O)C1=C2C=CC=CC2=NC(=C1)Cl Z57052891 [0,1,0,0,1,0|1,0,0]=3 308 B15R2.988 O=C(O)C1=C2C=CC=NC2=NC(=C1)Cl Z3067317080 [0,1,0,0,1,0|2,0,0]=4 309 B15R2.988 O=C(O)C1=C2C=CN=CC2=CC(=C1)F Z1813184924 [0,1,0,0,1,0|1,0,0]=3 310 B15R2.988 O=C(O)C1=C2C=NC=CC2=CC(=C1)Cl Z2866789396 [0,1,0,0,1,0|1,0,0]=3 311 B15R2.988 O=C(O)C1=C2C=NC=CC2=CC(=C1)F Z2372272377 [0,1,0,0,1,0|1,0,0]=3 312 B15R2.988 O=C(O)C1=C2N=CC=CC2=CC(=C1)Cl Z364003330 [0,1,0,0,1,0|1,0,0]=3 313 B15R2.988 O=C(O)C1=C2N=CC=CC2=CC(=C1)F Z1184875906 [0,1,0,0,1,0|1,0,0]=3 314 B15R2.988 O=C1C=C(C2=C(N1)C=CC=C2)C(=O)O Z56795730 [0,1,0,0,1,0|1,0,0]=3 315 B15R2.988 O=[N+]([O-])C1=CC(=CC2=C1C=CC=C2)O Z1255437587 [0,1,0,0,1,0|1,0,1]=4 316 B15R2.1162 CC1=C(C2=C(C=C1)N=CC=C2)C(=O)O Z1504679627 [0,1,0,0,1,0|1,0,0]=3 317 B15R2.1162 CC1=C(C2=C(C=CC=C2)C=C1)B(O)O Z1198162890 [0,1,0,0,1,0|1,0,1]=4 318 B15R2.1162 CC1=C(C2=C(C=CC=C2)N=C1)C(=O)O Z1198157245 [0,1,0,0,1,0|1,0,0]=3 319 B15R2.1162 CC1=C(C2=C(C=CC=N2)C=C1)C(=O)O Z3017773999 [0,1,0,0,1,0|1,0,0]=3 320 B15R2.1162 O=C(O)C1=C2C=CC=CC2=CC=C1O Z381356526 [0,1,0,0,1,0|0,0,0]=2 321 B15R2.1162 O=C(O)C1=C2C=CC=CC2=CN=C1Cl Z1269232034 [0,1,0,0,1,0|1,0,0]=3 322 B15R2.1162 O=C(O)C1=C2C=CC=CC2=NC=C1O Z1198157009 [0,1,0,0,1,0|1,0,0]=3 323 B15R2.1162 O=C(O)C1=C2C=NC=CC2=CC=C1Cl Z1509025340 [0,1,0,0,1,0|1,0,0]=3 324 B15R2.1162 O=C(O)C1=C2C=NC=CC2=CC=C1F Z2432627435 [0,1,0,0,1,0|1,0,0]=3 325 B15R2.1162 OB(O)C1=C2C=CC=CC2=CC=C1Cl Z1269157659 [0,1,0,0,1,0|1,0,1]=4 326 B15R2.7268 CC(=O)C1=C2C=C(C=CC2=CC=C1)Cl Z1269155263 [0,1,0,0,1,0|1,0,0]=3 327 B15R2.7268 CC(=O)C1=C2C=C(C=CC2=NC=C1)Cl Z2181989053 [0,1,0,0,1,0|2,0,0]=4 328 B15R2.7268 CC1=CC2=C(C=CC=C2C(=O)O)N=C1 Z1216843142 [0,1,0,0,1,0|1,0,0]=3 329 B15R2.7268 CC1=NC2=C(C=CC=C2C(=O)O)C=C1 Z1198223612 [0,1,0,0,1,0|1,0,0]=3 330 B15R2.7268 NC1=CC2=C(C=C1)N=CC=C2C(=O)O Z1198233872 [0,1,0,0,1,0|1,0,0]=3 331 B15R2.7268 O=C(O)C1=C2C=C(C=CC2=CC=C1)Br Z1269219161 [0,1,0,0,1,0|0,0,0]=2 332 B15R2.7268 O=C(O)C1=C2C=C(C=CC2=CN=C1)F Z3024296796 [0,1,0,0,1,0|1,0,0]=3 333 B15R2.7268 O=C(O)C1=C2C=C(C=CC2=NC=C1)F Z4965066063 [0,1,0,0,1,0|1,0,0]=3 334 B15R2.7268 O=C(O)C1=C2C=C(C=CC2=NC=C1)O Z1255434644 [0,1,0,0,1,0|1,0,0]=3 335 B15R2.7268 O=C1C=CC2=CC=CC(=C2N1)C(=O)O Z2168496107 [0,1,0,0,1,0|1,0,0]=3 336 B15R2.13611 CC1=C2C=CC=C(C2=CC=C1)C(=O)O Z1255382591 [0,1,0,0,1,0|0,0,0]=2 337 B15R2.13611 CC1=C2C=CC=C(C2=NC=C1)C(=O)O Z1198223611 [0,1,0,0,1,0|1,0,0]=3 338 B15R2.13611 O=C(O)C1=C2C=CC=C(C2=CC=C1)Br Z57772242 [0,1,0,0,1,0|0,0,0]=2 339 B15R2.13611 O=C(O)C1=C2C=CC=C(C2=CN=C1)Cl Z3244601854 [0,1,0,0,1,0|1,0,0]=3 340 B15R2.13611 O=C(O)C1=C2C=CC=C(C2=CN=C1)F Z1999525114 [0,1,0,0,1,0|1,0,0]=3 341 B15R2.13611 O=C(O)C1=C2C=CNC(=O)C2=CN=C1 Z3476262688 [0,1,0,0,1,0|2,0,0]=4 342 B15R2.13611 O=C(O)C1=C2C=NNC(=O)C2=CC=C1 Z3379426115 [0,1,0,0,1,0|2,0,0]=4 343 B15R2.13611 O=[N+]([O-])C1=C2C=CC=C(C2=CC=C1)Br Z56833039 [0,1,0,0,1,0|1,0,1]=4 344 B15R2.14628 CC1=C2C=CC=NC2=C(C=C1)C(=O)O Z1198650523 [0,1,0,0,1,0|1,0,0]=3 345 B15R2.14628 CC1=C2N=CC=CC2=C(C=C1)C(=O)O Z3676767355 [0,1,0,0,1,0|1,0,0]=3 346 B15R2.14628 NC(=O)C1=C2C=CC=CC2=C(C=C1)O Z1617993893 [0,1,0,0,1,0|1,0,0]=3 347 B15R2.14628 NC1=C2N=CC=CC2=C(C=C1)C(=O)O Z3214083076 [0,1,0,0,1,0|1,0,0]=3 348 B15R2.14628 O=C(O)C1=C2C=CC=CC2=C(C=C1)Cl Z1269109308 [0,1,0,0,1,0|0,0,0]=2 349 B15R2.14628 O=C(O)C1=C2C=CC=CC2=C(C=C1)F Z57188757 [0,1,0,0,1,0|0,0,0]=2 350 B15R2.14628 O=C(O)C1=C2C=CC=CC2=C(C=C1)O Z1198150516 [0,1,0,0,1,0|0,0,0]=2 351 B15R2.14628 O=C(O)C1=C2C=CC=CC2=C(C=N1)F Z3325756403 [0,1,0,0,1,0|1,0,0]=3 352 B15R2.14628 O=C(O)C1=C2C=CC=CC2=C(N=C1)Cl Z1269162854 [0,1,0,0,1,0|1,0,0]=3 353 B15R2.14628 O=C(O)C1=C2C=CC=NC2=C(C=C1)Cl Z1508940587 [0,1,0,0,1,0|1,0,0]=3 354 B15R2.14628 O=C(O)C1=C2C=CC=NC2=C(C=C1)F Z5454824390 [0,1,0,0,1,0|1,0,0]=3 355 B15R2.14628 O=C(O)C1=C2C=CC=NC2=C(C=C1)O Z1255461048 [0,1,0,0,1,0|1,0,0]=3 356 B15R2.14628 O=C(O)C1=C2C=CC=NC2=C(N=C1)O Z3013504523 [0,1,0,0,1,0|2,0,0]=4 357 B15R2.14628 O=C(O)C1=C2C=CN=CC2=C(C=C1)F Z1813184926 [0,1,0,0,1,0|1,0,0]=3 358 B15R2.14628 O=C(O)C1=C2C=NC=CC2=C(C=C1)F Z1813184921 [0,1,0,0,1,0|1,0,0]=3 359 B15R2.14628 O=C(O)C1=C2C=NC=CC2=C(N=C1)O Z4603321831 [0,1,0,0,1,0|2,0,0]=4 360 B15R2.14628 O=C(O)C1=C2N=CC=CC2=C(C=C1)Br Z1269239709 [0,1,0,0,1,0|1,0,0]=3 361 B15R2.14628 O=C(O)C1=C2N=CC=CC2=C(C=C1)Cl Z330920920 [0,1,0,0,1,0|1,0,0]=3 362 B15R2.14628 O=C(O)C1=C2N=CC=CC2=C(C=C1)F Z364005964 [0,1,0,0,1,0|1,0,0]=3 363 B15R2.14628 O=C(O)C1=CNC(=O)C2=C1C=CC=C2 Z1198151126 [0,1,0,0,1,0|1,0,0]=3 364 B15R2.14628 O=C(O)C1=CNC(=O)C2=C1C=CN=C2 Z4501802459 [0,1,0,0,1,0|2,0,0]=4 365 B15R2.14628 O=C(O)C1=CNC(=O)C2=C1N=CC=C2 Z4523847788 [0,1,0,0,1,0|2,0,0]=4 366 B15R2.14628 O=C(O)C1=COC(=O)C2=C1C=CC=C2 Z1201621939 [0,1,0,0,1,0|1,0,0]=3 367 B15R2.14628 O=C(O)C1=NNC(=O)C2=C1C=CC=C2 Z56791146 [0,1,0,0,1,0|2,0,0]=4 368 B15R2.14628 O=[N+]([O-])C1=C2C=CC=CC2=C(C=C1)O Z1147461131 [0,1,0,0,1,0|1,0,1]=4 369 B15R2.14628 OB(O)C1=C2C=CC=CC2=C(C=C1)Cl Z1269112896 [0,1,0,0,1,0|1,0,1]=4 370 B15R2.61345 NC1=C2C(=CC=C1)C=CC=C2C(=O)[O-] Z3241278106 [0,1,0,0,1,0|0,0,1]=3 371 B15R2.61345 O=C(O)C1=C2C(=CC=CC2=CC=C1)Br Z1269110260 [0,1,0,0,1,0|0,0,0]=2 372 B15R2.61345 O=C(O)C1=C2C(=CC=CC2=CC=C1)O Z1255422837 [0,1,0,0,1,0|0,0,0]=2 373 B15R2.61345 O=C(O)C1=C2C(=O)NC=NC2=CC=C1 Z1198275130 [0,1,0,0,1,0|2,0,0]=4 374 B15R2.61345 O=C(O)C1=C2C(=O)NN=CC2=CC=C1 Z1262515705 [0,1,0,0,1,0|2,0,0]=4 375 B15R2.61345 OB(O)C1=C2C(=CC=CC2=CC=C1)Cl Z1269230168 [0,1,0,0,1,0|1,0,1]=4 376 B15R2.109477 NS(=O)(=O)C1=C2C=CC=CC2=CC=C1 Z57901841 [0,1,0,0,1,0|1,0,1]=4 377 B15R2.109477 O=S(=O)(O)C1=C2C=CC=CC2=NC=C1 Z1079443330 [0,1,0,0,1,0|2,0,0]=4 378 B15R2.109477 O=S(=O)(O)C1=C2N=CC=CC2=CC=C1 Z2735603442 [0,1,0,0,1,0|2,0,0]=4 379 B17R2.3462 CC1=NC2=C(C=C1)C(=CC=C2)OCC(=O)N Z1675481525 [0,1,0,0,0,1|2,0,0]=4 380 B17R2.5014 CC(=O)NCC1=CC(=O)NC2=C1C=CC=C2 Z1268273655 [0,1,0,0,0,1|2,0,0]=4 381 B17R2.19944 CC1=NC2=C(C=CC=C2OCC(=O)N)C=C1 Z18085293 [0,1,0,0,0,1|2,0,0]=4 382 B17R2.39629 O=C(O)/C=C/C1=C2C=CC=CC2=C(C=C1)F Z2607846795 [0,1,0,0,0,1|0,0,1]=3 383 B17R2.39629 O=C(O)CCC1=C2C=CC=CC2=C(C=C1)F Z2696918879 [0,1,0,0,0,1|0,0,0]=2 384 B17R2.39629 O=C(O)CCN1N=CC(=O)C2=C1C=CC=C2 Z135257368 [0,1,0,0,0,1|2,0,0]=4 385 B17R2.39629 O=C(O)COC1=C2C=CC=CC2=C(C=C1)Cl Z65583844 [0,1,0,0,0,1|0,0,0]=2 386 B17R2.39629 O=C(O)COC1=C2N=CC=CC2=C(C=C1)Cl Z228583490 [0,1,0,0,0,1|1,0,0]=3 387 B17R2.252033 NC(=O)CSC1=C2C(=CC=CC2=CC=C1)Cl Z33546635 [0,1,0,0,0,1|1,0,0]=3 388 B17R2.252033 O=C(O)CSC1=C2C(=CC=CC2=CC=C1)Cl Z56779305 [0,1,0,0,0,1|0,0,0]=2 389 B17R2.353364 C=CC(=O)NCC1=C2C=CC=NC2=CC=C1 Z2756080161 [0,1,0,0,0,1|2,0,0]=4 390 B17R2.353364 C=CC(=O)NCC1=C2N=CC=CC2=CC=C1 Z1449603478 [0,1,0,0,0,1|2,0,0]=4 391 B17R2.353364 CNC(=O)COC1=C2C=CC=CC2=CC=C1 Z19768736 [0,1,0,0,0,1|1,0,0]=3 392 B17R2.353364 COC(=O)CNC1=C2C=CC=CC2=CC=C1 Z297576282 [0,1,0,0,0,1|0,0,0]=2 393 B17R2.353364 COC(=O)CSC1=C2C=CC=CC2=NC=N1 Z19316006 [0,1,0,0,0,1|2,0,0]=4 394 B17R2.353364 C[C@@H](CO)NCC1=C2C=CC=CC2=CC=C1 Z1432295205 [0,1,0,0,0,1|1,0,1]=4 395 B17R2.353364 NCC(O)COC1=C2C=CC=CC2=CC=C1 Z271072326 [0,1,0,0,0,1|1,0,1]=4 396 B17R2.353364 NNC(=O)CSC1=C2N=CC=CC2=CC=C1 Z56943409 [0,1,0,0,0,1|2,0,0]=4 397 B17R2.353364 OCC(O)COC1=C2C=CC=CC2=CC=C1 Z1551645244 [0,1,0,0,0,1|0,0,2]=4 398 B17R2.520754 CC(CC1=C2C=CC=CC2=CN=C1)C(=O)O Z2096659213 [0,1,0,0,0,1|1,0,0]=3 399 B17R2.520754 CC(OC1=C2C=CC=CC2=CC=C1)C(=O)O Z111834290 [0,1,0,0,0,1|0,0,0]=2 400 B17R2.520754 NC(CC1=C2C=CC=CC2=CC=N1)C(=O)O Z5620690588 [0,1,0,0,0,1|1,0,0]=3 401 B17R2.520754 N[C@@H](CC1=C2C=CC=CC2=CC=C1)C(=O)O Z995228046 [0,1,0,0,0,1|0,0,0]=2 402 B17R2.520754 O=C(O)C(O)CC1=C2C=CC=CC2=CC=C1 Z1269030425 [0,1,0,0,0,1|0,0,0]=2 403 B17R2.533832 NS(=O)(=O)NCC1=C2C=CC=CC2=CC=C1 Z923953820 [0,1,0,0,0,1|1,0,1]=4 404 B17R2.712041 CC(=O)NC(C)C1=C2C=CC=CC2=CC=C1 Z28862189 [0,1,0,0,0,1|1,0,0]=3 405 B17R2.712041 CN(CC(=O)O)C1=C2C=CC=NC2=NC=C1 Z5226836060 [0,1,0,0,0,1|2,0,0]=4 406 B17R2.38283 CC1=CC(=O)N(C2=C1C=CC=C2)CC(=O)O Z274762946 [0,2,0,0,0,0|1,0,0]=3 407 B17R2.38283 O=C(O)CN1C(=O)NC(=O)C2=C1C=CC=C2 Z168880268 [0,2,0,0,0,0|2,0,0]=4 408 B17R2.350730 COC(=O)CN1C(=O)C=NC2=C1C=CC=C2 Z23915316 [0,2,0,0,0,0|2,0,0]=4 409 B17R2.350730 CON(C)CC1=C2C=CC=CC2=CC=C1O Z64491631 [0,2,0,0,0,0|2,0,0]=4 410 B17R2.20680 CC1=CC2=C(C=C1)C(=CC(=O)O2)CC(=O)O Z742377254 [0,2,0,0,0,0|1,0,0]=3 411 B17R2.20680 O=C(O)CC1=CC(=O)OC2=C1C=CC(=C2)O Z1695772714 [0,2,0,0,0,0|1,0,0]=3 412 B17R2.36773 CN1N=C(C2=C(C1=O)C=CC=C2)CC(=O)O Z89270668 [0,2,0,0,0,0|2,0,0]=4 413 B17R2.186597 O=C(O)CC1=CC(=O)OC2=C1C=C(C=C2)O Z905065810 [0,2,0,0,0,0|1,0,0]=3 414 B17R2.451970 C=CC(=O)NC1=CC(=CC2=C1C=CC=C2)C Z3024770453 [0,2,0,0,0,0|2,0,0]=4 415 B17R2.12011 COC1=CC2=C(C=CC=C2CC(=O)O)C=C1 Z1501269085 [0,2,0,0,0,0|0,0,0]=2 416 B17R2.351811 CCC(=O)NC1=C2C=C(C=CC2=CC=C1)O Z1483900507 [0,2,0,0,0,0|2,0,0]=4 417 B17R2.57516 COC(=O)CC1=C2C=CC=C(C2=CC=C1)Br Z1691653377 [0,2,0,0,0,0|0,0,0]=2 418 B17R2.451963 COC(=O)CC1=NNC(=O)C2=C1C=CC=C2 Z18027361 [0,2,0,0,0,0|2,0,0]=4 419 B17R2.322318 CCNC(=O)NC1=C2C=CC=CC2=CC=C1 Z44590343 [0,2,0,0,0,0|2,0,0]=4 420 B17R2.322318 CCOC(=O)CC1=C2C=CC=CC2=NN=C1 Z2581717835 [0,2,0,0,0,0|2,0,0]=4 421 B17R2.322318 CNCC(=O)NC1=C2C=CC=CC2=CC=C1 Z56965876 [0,2,0,0,0,0|2,0,0]=4 422 B17R2.322318 COCC(=O)NC1=C2C=CC=CC2=CC=C1 Z57260541 [0,2,0,0,0,0|1,0,0]=3 423 B17R2.322318 COCC(=O)NC1=C2C=CC=NC2=CC=C1 Z43973717 [0,2,0,0,0,0|2,0,0]=4 424 B17R2.322318 COCC(=O)NC1=C2N=CC=CC2=CC=C1 Z32566874 [0,2,0,0,0,0|2,0,0]=4 425 B17R2.322318 CSCC(=O)NC1=C2C=CC=CC2=CC=C1 Z28155119 [0,2,0,0,0,0|1,1,0]=4 426 B17R2.322318 N#CCC(=O)NC1=C2C=CC=CC2=CC=C1 Z56822405 [0,2,0,0,0,0|2,0,0]=4 427 B17R2.322318 O=C(CCCl)NC1=C2C=CC=CC2=CC=C1 Z217707144 [0,2,0,0,0,0|2,0,0]=4 428 B17R2.449490 COC(=O)C(N)C1=C2C=CC=CC2=CC=C1 Z2180903729 [0,2,0,0,0,0|0,0,0]=2 429 B17R2.99719 CCN(C(=O)C)C1=C2C=CC=CC2=CC=C1 Z365053018 [0,2,0,0,0,0|2,0,0]=4 430 B17R2.954612 CC(C)(C(=O)O)C1=C2C=CC=CC2=CC=C1 Z982129950 [0,2,0,0,0,0|0,0,0]=2 431 B17R2.954612 CC(O)(C(=O)O)C1=C2C=CC=CC2=CC=C1 Z788000492 [0,2,0,0,0,0|0,0,0]=2 432 B15R2.6 O=C(O)/C=C/C1=CSC2=C1C=CC=C2 Z2942853122 [0,0,1,1,0,0|1,0,1]=4 433 B15R2.6 O=C(O)CCC1=CCC2=C1C=CC=C2 Z1262514880 [0,0,1,1,0,0|0,0,2]=4 434 B15R2.6 O=C(O)CCC1=CNC2=C1C=CC=C2 Z104482518 [0,0,1,1,0,0|1,0,1]=4 435 B15R2.6 O=C(O)CCC1=CSC2=C1C=CC=C2 Z995104750 [0,0,1,1,0,0|1,0,1]=4 436 B15R2.6 O=C(O)CCN1C=CC2=C1C=CC=C2 Z57316204 [0,0,1,1,0,0|1,0,1]=4 437 B15R2.63 O=C(O)C1=C(C=CN1)C2=CC=CC=C2 Z1262528592 [0,0,1,1,0,0|1,0,1]=4 438 B15R2.63 O=C(O)C1=C(C=CO1)C2=CC=CC=C2 Z147652436 [0,0,1,1,0,0|1,0,1]=4 439 B15R2.63 O=C(O)C1=C(C=CS1)C2=CC=CC=C2 Z57033918 [0,0,1,1,0,0|1,0,1]=4 440 B15R2.63 O=C(O)C1=CNC=C1C2=CC=CC=C2 Z409035552 [0,0,1,1,0,0|1,0,1]=4 441 B15R2.63 O=C(O)C1=CSC=C1C2=CC=CC=C2 Z1278924065 [0,0,1,1,0,0|1,0,1]=4 442 B15R2.283 O=C1NN=C(O1)/C=C/C2=CC=CC=C2 Z2932617800 [0,0,1,1,0,0|2,0,0]=4 443 B15R2.984 CC1=C(C=C2C=CC=CC2=C1)C(=O)O Z1255431362 [0,0,1,1,0,0|0,0,2]=4 444 B15R2.984 NC1=C(C=C2C=CC=CC2=C1)C(=O)O Z56899208 [0,0,1,1,0,0|1,0,1]=4 445 B15R2.984 O=C(O)C1=C(C=C2C=CC=CC2=C1)Cl Z1269201070 [0,0,1,1,0,0|1,0,1]=4 446 B15R2.984 O=C(O)C1=C(C=C2C=CC=CC2=C1)F Z1255505927 [0,0,1,1,0,0|1,0,1]=4 447 B15R2.984 O=C(O)C1=C(C=C2C=CC=CC2=C1)I Z415735024 [0,0,1,1,0,0|1,0,1]=4 448 B15R2.984 O=C(O)C1=C(C=C2C=CC=CC2=C1)O Z104498570 [0,0,1,1,0,0|1,0,1]=4 449 B15R2.1668 NC(=O)CC1=CC2=C(C=CC=C2)C=C1 Z33546100 [0,0,1,1,0,0|1,0,0]=3 450 B15R2.1668 O=C(O)CC1=CC2=C(C=C1)N=CC=C2 Z351482708 [0,0,1,1,0,0|1,0,0]=3 451 B15R2.1668 O=C(O)CC1=CC2=C(C=CC=C2)C=C1 Z56754861 [0,0,1,1,0,0|0,0,0]=2 452 B15R2.1668 O=C(O)CC1=CC2=C(C=CC=C2)N=C1 Z982129790 [0,0,1,1,0,0|1,0,0]=3 453 B15R2.1668 O=C(O)CC1=CC2=C(C=CN=C2)C=C1 Z4909977063 [0,0,1,1,0,0|1,0,0]=3 454 B15R2.627 CC1=C2C=CC=CC2=CC=C1C(=O)O Z1255383246 [0,0,1,1,0,0|0,0,2]=4 455 B15R2.627 O=C(O)C1=C(C2=C(C=CC=C2)C=C1)F Z1255385700 [0,0,1,1,0,0|1,0,1]=4 456 B15R2.627 O=C(O)C1=C(C2=C(C=CC=C2)C=C1)O Z56347239 [0,0,1,1,0,0|1,0,1]=4 457 B15R3.1743 C1=CC2=CC=CC(=C2C=C1)[C@@H]3CO3 Z1575341744 [1,0,0,1,0,0|0,0,1]=3 458 B15R3.1969 C1=CC2=CC=CC3=C2C(=C1)CNC3 Z3681164119 [1,0,0,1,0,0|2,0,0]=4 459 B15R3.14759 NC1=NC2=C3C1=CC=CC3=CC=C2 Z56786607 [1,0,0,1,0,0|2,0,0]=4 460 B15R3.14759 O=C1NC2=C3C1=CC=CC3=CC=C2 Z56899189 [1,0,0,1,0,0|1,0,0]=3 461 B15R3.14759 O=C1OC2=C3C1=CC=CC3=CC=C2 Z1198152020 [1,0,0,1,0,0|1,0,0]=3 462 B15R3.2009 O=C1CC2=C(C1)C3=C(N2)C=CC=C3 Z1255384489 [0,0,0,1,1,0|2,0,0]=4 463 B17R3.31 OC1CNC2=C3C=CC=CC3=CC=C2C1 Z56943435 [0,0,0,1,0,1|1,0,1]=4 464 B17R3.1965 C1=CC2=CC=CC(=C2C=C1)NCC3CO3 Z2896019742 [0,0,0,1,0,1|1,0,1]=4 465 B17R3.1965 C1=CC2=CC=CC(=C2C=C1)OCC3CO3 Z90123337 [0,0,0,1,0,1|1,0,1]=4 466 B17R3.5115 O=C1CNC2=C3C(=CC=C2)C=CC=C3N1 Z1255457763 [0,0,0,1,0,1|1,0,0]=3 467 B17R3.18998 NC1COC2=C(C1)C3=C(C=CC=C3)C=C2 Z2595368903 [0,1,0,1,0,0|1,0,1]=4 468 B13R1.337 O=C(O)CC/C=C/C1=CC=CC=C1 Z1222331031 [0,0,1,0,1,0|0,0,1]=3 469 B13R1.572 C=CCOC1=C(C=CC=C1)C(=O)O Z57921219 [0,0,1,0,1,0|1,0,1]=4 470 B13R1.572 C=CCSC1=C(C=CC=C1)C(=O)O Z149170952 [0,0,1,0,1,0|1,0,1]=4 471 B13R2.1 OCCC1=CNC2=C1C=CC=C2 Z1123806416 [1,0,0,0,1,0|1,0,1]=4 472 B13R2.72 CC(=O)C1=COC2=C1C=CC=C2 Z1066258200 [0,0,0,0,2,0|2,0,0]=4 473 B13R2.72 CC(=O)C1=CSC2=C1C=CC=C2 Z370714364 [0,0,0,0,2,0|2,0,0]=4 474 B13R2.72 NC(=O)C1=CNC2=C1C=CC=C2 Z87615024 [0,0,0,0,2,0|2,0,0]=4 475 B13R2.72 O=C(O)C1=C2C=CC=CC2=NO1 Z1201621664 [0,0,0,0,2,0|2,0,0]=4 476 B13R2.72 O=C(O)C1=C2C=CC=CC2=NS1 Z1198233085 [0,0,0,0,2,0|2,0,0]=4 477 B13R2.72 O=C(O)C1=C2C=CC=CN2C=N1 Z1255387817 [0,0,0,0,2,0|2,0,0]=4 478 B13R2.72 O=C(O)C1=C2C=CC=CN2N=C1 Z1143452918 [0,0,0,0,2,0|2,0,0]=4 479 B13R2.72 O=C(O)C1=CC=C2N1N=CC=C2 Z1238571370 [0,0,0,0,2,0|2,0,0]=4 480 B13R2.72 O=C(O)C1=CN=C2N1C=CC=C2 Z1201621330 [0,0,0,0,2,0|2,0,0]=4 481 B13R2.72 O=C(O)C1=CNC2=C1C=CC=C2 Z89283908 [0,0,0,0,2,0|1,0,0]=3 482 B13R2.72 O=C(O)C1=CNC2=C1C=CC=N2 Z385370186 [0,0,0,0,2,0|2,0,0]=4 483 B13R2.72 O=C(O)C1=CNC2=C1C=NC=C2 Z4185705011 [0,0,0,0,2,0|2,0,0]=4 484 B13R2.72 O=C(O)C1=CNC2=C1N=CC=C2 Z1945708062 [0,0,0,0,2,0|2,0,0]=4 485 B13R2.72 O=C(O)C1=COC2=C1C=CC=C2 Z897816312 [0,0,0,0,2,0|1,0,0]=3 486 B13R2.72 O=C(O)C1=CSC2=C1C=CC=C2 Z199507040 [0,0,0,0,2,0|1,0,0]=3 487 B13R2.72 O=C(O)C1=CSC2=C1C=CN=C2 Z4925961941 [0,0,0,0,2,0|2,0,0]=4 488 B13R2.72 O=C(O)C1=CSC2=C1C=NC=C2 Z4010561587 [0,0,0,0,2,0|2,0,0]=4 489 B13R2.72 O=C(O)C1=CSC2=C1N=CC=C2 Z1486016114 [0,0,0,0,2,0|2,0,0]=4 490 B13R2.72 O=C(O)C1=NNC2=C1C=CC=C2 Z104497388 [0,0,0,0,2,0|2,0,0]=4 491 B13R2.72 O=C(O)C1=NSC2=C1C=CC=C2 Z1198157386 [0,0,0,0,2,0|2,0,0]=4 492 B13R2.5569 CC(=O)C1=C2SC=CC2=CC=C1 Z1436272882 [0,0,0,0,2,0|2,0,0]=4 493 B13R2.5569 NC(=O)C1=C2NC=CC2=CC=C1 Z1255438908 [0,0,0,0,2,0|2,0,0]=4 494 B13R2.5569 NC(=O)C1=C2SC=CC2=CC=C1 Z1255391990 [0,0,0,0,2,0|2,0,0]=4 495 B13R2.5569 O=C(O)C1=C2C=CNC2=CC=N1 Z2234186174 [0,0,0,0,2,0|2,0,0]=4 496 B13R2.5569 O=C(O)C1=C2C=CNC2=CN=C1 Z1255436255 [0,0,0,0,2,0|2,0,0]=4 497 B13R2.5569 O=C(O)C1=C2C=CNC2=NC=C1 Z1198176788 [0,0,0,0,2,0|2,0,0]=4 498 B13R2.5569 O=C(O)C1=C2C=COC2=CC=N1 Z1255435919 [0,0,0,0,2,0|2,0,0]=4 499 B13R2.5569 O=C(O)C1=C2C=CSC2=CC=C1 Z1198159167 [0,0,0,0,2,0|1,0,0]=3 500 B13R2.5569 O=C(O)C1=C2C=CSC2=CN=C1 Z1862025642 [0,0,0,0,2,0|2,0,0]=4 501 B13R2.5569 O=C(O)C1=C2C=NNC2=CC=C1 Z278090956 [0,0,0,0,2,0|2,0,0]=4 502 B13R2.5569 O=C(O)C1=C2C=NOC2=CC=C1 Z1813134883 [0,0,0,0,2,0|2,0,0]=4 503 B13R2.5569 O=C(O)C1=C2C=NSC2=CC=C1 Z1258976719 [0,0,0,0,2,0|2,0,0]=4 504 B13R2.5569 O=C(O)C1=C2N=CNC2=CC=C1 Z1079087298 [0,0,0,0,2,0|2,0,0]=4 505 B13R2.5569 O=C(O)C1=C2N=CSC2=CC=C1 Z1278927723 [0,0,0,0,2,0|2,0,0]=4 506 B13R2.5569 O=C(O)C1=C2NC=CC2=CC=C1 Z274503298 [0,0,0,0,2,0|1,0,0]=3 507 B13R2.5569 O=C(O)C1=C2NC=CC2=CC=N1 Z4878361613 [0,0,0,0,2,0|2,0,0]=4 508 B13R2.5569 O=C(O)C1=C2NC=CC2=NC=C1 Z4607355072 [0,0,0,0,2,0|2,0,0]=4 509 B13R2.5569 O=C(O)C1=C2SC=CC2=CC=C1 Z1201624703 [0,0,0,0,2,0|1,0,0]=3 510 B13R2.5569 O=C(O)C1=C2SC=CC2=NC=C1 Z1617999994 [0,0,0,0,2,0|2,0,0]=4 511 B13R2.5569 O=C(O)C1=C2SC=NC2=CC=C1 Z1255417294 [0,0,0,0,2,0|2,0,0]=4 512 B13R2.5569 O=C(O)C1=C2SN=CC2=CC=C1 Z1255394056 [0,0,0,0,2,0|2,0,0]=4 513 B13R2.5569 O=C(O)C1=CC=CC2=CN=CN12 Z4133752048 [0,0,0,0,2,0|2,0,0]=4 514 B13R2.5569 O=C(O)C1=CC=CC2=NC=CN12 Z1463349721 [0,0,0,0,2,0|2,0,0]=4 515 B13R2.5569 O=C(O)C1=CC=CN2C1=CC=N2 Z1255428640 [0,0,0,0,2,0|2,0,0]=4 516 B13R2.5569 O=C(O)C1=CC=CN2C1=CN=C2 Z1255439625 [0,0,0,0,2,0|2,0,0]=4 517 B13R2.5569 O=C(O)C1=CC=CN2C1=NC=C2 Z979487286 [0,0,0,0,2,0|2,0,0]=4 518 B15R1.1310 C=CCN(CC(=O)O)CC1=CC=CC=C1 Z1459975748 [0,0,1,0,0,1|1,0,1]=4 519 B17R2.291558 CC(=O)NCCC1=C2N=CC=CC2=CC=C1 Z257401884 [0,0,0,0,0,2|2,0,0]=4 520 B17R2.291558 O=C(O)CCOC1=C2C=CC=CC2=CC=C1 Z240085196 [0,0,0,0,0,2|0,0,0]=2