0 B16R2.12 CC(CN1C=CC2=C1C=CC=C2)C(=O)O Z431542264 [0,0,0,0,0,0|3,0,0]=3 1 B16R2.12 CC(CN1C=NC2=C1C=CC=C2)C(=O)O Z420848232 [0,0,0,0,0,0|2,0,1]=3 2 B16R2.12 CC(CN1N=CC2=C1C=CC=C2)C(=O)O Z959320722 [0,0,0,0,0,0|4,0,0]=4 3 B16R2.12 CC(CN1N=NC2=C1C=CC=C2)C(=O)O Z431542322 [0,0,0,0,0,0|3,0,1]=4 4 B16R2.12 NC(CC1=CNC2=C1C=CC=C2)C(=O)O Z57248626 [0,0,0,0,0,0|0,0,0]=0 5 B16R2.12 NC(CC1=CNC2=C1C=CC=N2)C(=O)O Z1274773112 [0,0,0,0,0,0|1,0,0]=1 6 B16R2.12 NC(CC1=CNC2=C1C=NC=N2)C(=O)O Z2010009926 [0,0,0,0,0,0|2,0,0]=2 7 B16R2.12 NC(CC1=CNC2=C1N=CC=C2)C(=O)O Z2289799514 [0,0,0,0,0,0|1,0,0]=1 8 B16R2.12 NC(CC1=CNC2=C1N=CC=N2)C(=O)O Z1508941507 [0,0,0,0,0,0|2,0,0]=2 9 B16R2.12 NC(CC1=COC2=C1C=CC=C2)C(=O)O Z1416286798 [0,0,0,0,0,0|1,0,0]=1 10 B16R2.12 NC(CC1=CSC2=C1C=CC=C2)C(=O)O Z995104684 [0,0,0,0,0,0|1,0,0]=1 11 B16R2.12 NC(CN1C=CC2=C1N=CC=C2)C(=O)O Z360059800 [0,0,0,0,0,0|3,0,0]=3 12 B16R2.12 NC(CN1C=NC2=C1C=CC=C2)C(=O)O Z2289798387 [0,0,0,0,0,0|1,0,1]=2 13 B16R2.12 NC(CN1CCC2=C1C=CC=C2)C(=O)O Z4327136236 [0,0,0,0,0,0|2,0,1]=3 14 B16R2.12 N[C@@H](CC1=CNC2=C1C=CC=C2)C(=O)O Z756440056 [0,0,0,0,0,0|0,0,0]=0 15 B16R2.12 N[C@H](CC1=CNC2=C1C=CC=C2)C(=O)O Z256709618 [0,0,0,0,0,0|0,0,0]=0 16 B15R2.4 NC(CO)CC1=CNC2=C1C=CC=C2 Z1069312128 [1,0,0,0,0,0|0,0,1]=2 17 B15R2.4 O=C(CC1=CNC2=C1C=CC=C2)NO Z59181979 [1,0,0,0,0,0|2,0,1]=4 18 B15R2.6 CC(=O)CCC1=C2C=CC=CC2=NN1 Z1638523280 [1,0,0,0,0,0|2,0,1]=4 19 B15R2.6 CC(=O)CCC1=CNC2=C1C=CC=C2 Z276142282 [1,0,0,0,0,0|1,0,0]=2 20 B15R2.6 NC(=O)CCC1=CNC2=C1C=CC=C2 Z33546345 [1,0,0,0,0,0|1,0,0]=2 21 B15R2.6 O=C(O)/C=C/C1=CSC2=C1C=CC=C2 Z2942853122 [1,0,0,0,0,0|1,0,2]=4 22 B15R2.6 O=C(O)CCC1=CCC2=C1C=CC=C2 Z1262514880 [1,0,0,0,0,0|1,0,0]=2 23 B15R2.6 O=C(O)CCC1=CN=C2N1C=CC=C2 Z5336044044 [1,0,0,0,0,0|1,0,1]=3 24 B15R2.6 O=C(O)CCC1=CN=C2N1C=CC=N2 Z5401661850 [1,0,0,0,0,0|2,0,1]=4 25 B15R2.6 O=C(O)CCC1=CNC2=C1C=CC=C2 Z104482518 [1,0,0,0,0,0|0,0,0]=1 26 B15R2.6 O=C(O)CCC1=CSC2=C1C=CC=C2 Z995104750 [1,0,0,0,0,0|1,0,0]=2 27 B15R2.6 O=C(O)CCC1CCC2=C1C=CC=C2 Z1262511684 [1,0,0,0,0,0|1,0,2]=4 28 B15R2.6 O=C(O)CCN1C=CC2=C1C=CC=C2 Z57316204 [1,0,0,0,0,0|2,0,0]=3 29 B15R2.6 O=C(O)CCN1C=CC2=C1N=CC=C2 Z1216818692 [1,0,0,0,0,0|3,0,0]=4 30 B15R2.6 O=C(O)CCN1N=CC2=C1C=CC=C2 Z57070422 [1,0,0,0,0,0|3,0,0]=4 31 B17R2.7 COC(=O)C(N)CC1=CNC2=C1C=CC=C2 Z56921839 [0,1,0,0,0,0|0,0,0]=1 32 B17R2.7 COC(=O)C(N)CC1=CNC2=C1C=CC=N2 Z4918299399 [0,1,0,0,0,0|1,0,0]=2 33 B17R2.7 COC(=O)C(N)CC1=COC2=C1C=CC=C2 Z2786042022 [0,1,0,0,0,0|1,0,0]=2 34 B17R2.7 COC(=O)[C@H](N)CC1=CNC2=C1C=CC=C2 Z1536943518 [0,1,0,0,0,0|0,0,0]=1 35 B17R2.2473 O=S(=O)([O-])C(O)CC1=CNC2=C1C=CC=C2 Z1970017019 [0,1,0,0,0,0|2,0,1]=4 36 B17R2.3450 NC(CC1=CNC2=C1C=CC(=C2)F)C(=O)O Z1332305266 [0,1,0,0,0,0|0,0,0]=1 37 B17R2.5003 CC1=NC2=C(N1CC(C)C(=O)O)C=CC=C2 Z228590082 [0,1,0,0,0,0|2,0,1]=4 38 B17R2.5003 N[C@@H](CC1C(=O)NC2=C1C=CC=C2)C(=O)O Z4154843098 [0,1,0,0,0,0|0,0,1]=2 39 B17R2.25461 NC(CC1=CNC2=C1C=C(C=C2)Br)C(=O)O Z1255605966 [0,1,0,0,0,0|0,0,0]=1 40 B17R2.25461 N[C@@H](CC1=CNC2=C1C=C(C=C2)O)C(=O)O Z2044741046 [0,1,0,0,0,0|0,0,0]=1 41 B17R2.37147 CC1=C2NC=C(C2=CC=C1)CC(N)C(=O)O Z1508920449 [0,1,0,0,0,0|0,0,0]=1 42 B17R2.37147 CC1=C2OC=C(C2=CC=C1)CC(N)C(=O)O Z3717373756 [0,1,0,0,0,0|1,0,0]=2 43 B17R2.37552 NC(CC1=CNC2=C1C(=CC=C2)Br)C(=O)O Z1508591890 [0,1,0,0,0,0|0,0,0]=1 44 B15R1.3664 NC(CCOCC1=CC=CC=C1)C(=O)O Z4120966915 [0,0,1,0,0,0|2,0,1]=4 45 B15R1.5793 CC(CC(=O)C1=C(C=CC=C1)F)C(=O)O Z838957192 [0,0,1,0,0,0|3,0,0]=4 46 B15R2.1255 CC(C(=O)O)N1C=NC2=C1C=CC=C2 Z57841909 [0,0,0,0,1,0|2,0,1]=4 47 B15R2.1255 NC(C(=O)O)C1CCC2=C1C=CC=C2 Z3267202784 [0,0,0,0,1,0|1,0,2]=4 48 B15R2.1255 O=C(O)C(=O)C1=CNC2=C1C=CC=C2 Z381360918 [0,0,0,0,1,0|1,0,1]=3 49 B17R2.16 NC(CCC1=CNC2=C1C=CC=C2)C(=O)O Z3681285360 [0,0,0,0,0,1|0,0,0]=1 50 B17R2.9167 C[C@H](OC1=CC2=C(C=CC=C2)C=C1)C(=O)O Z1508918419 [0,0,0,0,0,1|3,0,0]=4 51 B17R2.9167 C[C@H](OC1=CC2=C(C=CC=C2)N=C1)C(=O)O Z1924120523 [0,0,0,0,0,1|2,0,1]=4 52 B17R2.9167 NC(CC1=CC2=C(C=CC=C2)N=C1)C(=O)O Z3083125006 [0,0,0,0,0,1|0,0,1]=2 53 B17R2.9167 N[C@@H](CC1=CC2=C(C=CC=C2)C=C1)C(=O)O Z2695741431 [0,0,0,0,0,1|1,0,0]=2 54 B17R2.9167 O=C(O)C(=O)CC1=CC2=C(C=CC=C2)C=C1 Z271004474 [0,0,0,0,0,1|2,0,1]=4 55 B17R2.9167 O=C(O)C(O)CC1=CC2=C(C=C1)N=CC=C2 Z3742606306 [0,0,0,0,0,1|3,0,0]=4 56 B17R2.520754 CC(CC1=C2C=CC=CC2=CN=C1)C(=O)O Z2096659213 [0,0,0,0,0,1|1,0,1]=3 57 B17R2.520754 CC(OC1=C2C=CC=CC2=CC=C1)C(=O)O Z111834290 [0,0,0,0,0,1|3,0,0]=4 58 B17R2.520754 NC(CC1=C2C=CC=CC2=CC=N1)C(=O)O Z5620690588 [0,0,0,0,0,1|1,0,0]=2 59 B17R2.520754 N[C@@H](CC1=C2C=CC=CC2=CC=C1)C(=O)O Z995228046 [0,0,0,0,0,1|1,0,0]=2 60 B17R2.520754 O=C(O)C(O)CC1=C2C=CC=CC2=CC=C1 Z1269030425 [0,0,0,0,0,1|2,0,0]=3 61 B14R1.415 CC(CC(N)C(=O)O)C1=CC=CC=C1 Z3018664835 [1,0,1,0,0,0|0,0,2]=4 62 B14R1.415 CN(CC(N)C(=O)O)C1=CC=CC=C1 Z854090074 [1,0,1,0,0,0|1,0,1]=4 63 B14R1.415 NC(CC(=O)C1=CC=CC=C1)C(=O)O Z1459947400 [1,0,1,0,0,0|1,0,0]=3 64 B14R1.160 NC1=C(C=CC=C1)C(=O)CCC(=O)O Z4561593840 [1,0,1,0,0,0|1,0,0]=3 65 B14R1.160 O=C(O)CCC(=O)C1=C(C=CC=C1)Br Z838955710 [1,0,1,0,0,0|2,0,0]=4 66 B14R2.2 CC(=O)CC1=CNC2=C1C=CC=C2 Z277541166 [2,0,0,0,0,0|1,0,1]=4 67 B14R2.2 NC(=O)CC1=CNC2=C1C=CC=C2 Z33546521 [2,0,0,0,0,0|0,0,1]=3 68 B14R2.2 O=C(O)CC1=CNC2=C1C=CC=C2 Z56913182 [2,0,0,0,0,0|1,0,1]=4 69 B14R2.3 NCCCC1=CNC2=C1C=CC=C2 Z275361382 [2,0,0,0,0,0|1,0,1]=4 70 B16R2.33556 CCC(N)CC1=CN(C2=C1C=CC=C2)C Z2719882774 [1,1,0,0,0,0|1,0,1]=4 71 B16R2.14 CNC(=O)CCC1=CNC2=C1C=CC=C2 Z32016249 [1,1,0,0,0,0|1,0,0]=3 72 B16R2.14 COC(=O)CCC1=CNC2=C1C=CC=C2 Z13758675 [1,1,0,0,0,0|0,0,0]=2 73 B16R2.520 CC(CC(=O)O)C1=CNC2=C1C=CC=C2 Z275127490 [1,1,0,0,0,0|0,0,0]=2 74 B16R2.520 CC(CC(=O)O)N1C=NC2=C1C=CC=C2 Z1695740381 [1,1,0,0,0,0|1,0,1]=4 75 B16R2.2976 CC1=CC2=C(C=C1)C(=CN2)CCC(=O)O Z1272912333 [1,1,0,0,0,0|0,0,0]=2 76 B16R2.2976 O=C(O)CCC1=CN=C2N1C=CC(=C2)Br Z5372150272 [1,1,0,0,0,0|1,0,1]=4 77 B16R2.2976 O=C(O)CCC1=CNC2=C1C=CC(=C2)Cl Z1509536927 [1,1,0,0,0,0|0,0,0]=2 78 B16R2.4003 CC1=C(C2=C(N1)C=CC=C2)CCC(=O)O Z57157164 [1,1,0,0,0,0|0,0,0]=2 79 B16R2.4003 CC1=NC2=C(N1CCC(=O)O)C=CC=C2 Z1718361743 [1,1,0,0,0,0|1,0,1]=4 80 B16R2.4003 O=C(O)CCC1C(=O)NC2=C1C=CC=C2 Z1508917501 [1,1,0,0,0,0|0,0,1]=3 81 B16R2.4003 O=C(O)CCN1C(=O)OC2=C1C=CC=C2 Z57728665 [1,1,0,0,0,0|2,0,0]=4 82 B16R2.4003 O=C(O)CCN1C(=O)SC2=C1C=CC=C2 Z57728689 [1,1,0,0,0,0|2,0,0]=4 83 B16R2.15551 CC1=CC2=C(C=C1)NC=C2CCC(=O)O Z1276694079 [1,1,0,0,0,0|0,0,0]=2 84 B16R2.15551 O=C(O)CCC1=CN=C2N1C=C(C=C2)Br Z5346930455 [1,1,0,0,0,0|1,0,1]=4 85 B16R2.15551 O=C(O)CCC1=CNC2=C1C=C(C=C2)Br Z1509618627 [1,1,0,0,0,0|0,0,0]=2 86 B16R2.15551 O=C(O)CCN1C=CC2=C1C=C(C=C2)Cl Z385445922 [1,1,0,0,0,0|2,0,0]=4 87 B16R2.22833 CC1=C2NC=C(C2=CC=C1)CCC(=O)O Z1251197519 [1,1,0,0,0,0|0,0,0]=2 88 B16R2.22833 O=C(O)CCC1=CN=C2N1C=CC=C2Br Z5405727258 [1,1,0,0,0,0|1,0,1]=4 89 B16R2.22904 CC1=C2C(=CNC2=CC=C1)CCC(=O)O Z1316679515 [1,1,0,0,0,0|0,0,0]=2 90 B16R2.22904 O=C(O)CCC1=CNC2=C1C(=CC=C2)Br Z1509573127 [1,1,0,0,0,0|0,0,0]=2 91 B16R2.104522 CN1C=C(C2=C1C=CC=C2)/C=C/C(=O)O Z2942853389 [1,1,0,0,0,0|0,0,2]=4 92 B16R2.104522 CN1C=C(C2=C1C=CC=C2)CCC(=O)O Z335290460 [1,1,0,0,0,0|0,0,0]=2 93 B16R2.4002 CC1=C(C2=C(N1)C=CC=C2)C(=O)C(=O)O Z154210920 [0,1,0,0,1,0|1,0,1]=4 94 B16R2.104521 CC(C(=O)O)C1=CN(C2=C1C=CC=C2)C Z1508922062 [0,1,0,0,1,0|1,0,0]=3 95 B18R2.38 CC(C(=O)O)N(C)CC1=CSC2=C1C=CC=C2 Z1459945568 [0,1,0,0,0,1|2,0,0]=4 96 B18R2.30019 COC(=O)C(N)CC1=CC2=C(C=CC=C2)C=C1 Z208192100 [0,1,0,0,0,1|1,0,0]=3 97 B18R2.30019 COC(=O)C(N)CC1=CC2=C(C=CC=C2)N=C1 Z3398294729 [0,1,0,0,0,1|0,0,1]=3 98 B18R2.904449 COC(=O)C(N)CC1=C2C=CC=CC2=CC=N1 Z5614989226 [0,1,0,0,0,1|1,0,0]=3 99 B18R2.374 COC(=O)C(C)(N)CN1C=NC2=C1C=CC=C2 Z2902149557 [0,2,0,0,0,0|1,0,1]=4 100 B18R2.126667 COC(=O)C(N)CC1=CNC2=C1C=CC(=C2)F Z1341564381 [0,2,0,0,0,0|0,0,0]=2 101 B18R2.910620 COC(=O)C(N)CC1=CNC2=C1C(=CC=C2)Br Z1526503322 [0,2,0,0,0,0|0,0,0]=2 102 B18R2.910661 COC(=O)C(N)CC1=CNC2=C1C=C(C=C2)Br Z1271802586 [0,2,0,0,0,0|0,0,0]=2 103 B18R2.60850 CC1=C(C2=C(N1)C=CC=C2)CC(F)(F)C(=O)O Z2751565912 [0,2,0,0,0,0|1,0,0]=3 104 B18R2.314287 NC(CN1C=NC2=C1C=C(C(=C2)F)F)C(=O)O Z1263568771 [0,2,0,0,0,0|1,0,1]=4 105 B16R2.6284 NC(C(=O)O)C1=CC2=C(C=CC=C2)C=C1 Z2028214384 [0,0,1,1,0,0|1,0,1]=4 106 B16R2.6271 NC(CC1=CC2=C(O1)C=CC=C2)C(=O)O Z1762997257 [0,0,1,1,0,0|2,0,0]=4 107 B16R2.244415 NC(C(=O)O)C1=C2C=CC=CC2=CC=C1 Z2865657276 [0,0,1,1,0,0|1,0,1]=4 108 B18R3.7353 O=C(O)[C@@H]1C[C@H]1C2=C3C=CC=CC3=CC=C2 Z2327124581 [0,0,0,1,0,1|2,0,0]=4 109 B18R3.115616 O=C(O)C1CC2=C(CN1)NC3=C2C=CC=C3 Z56762879 [0,1,0,1,0,0|0,0,0]=2 110 B18R3.115616 O=C(O)[C@@H]1CC2=C(CN1)NC3=C2C=CC=C3 Z1508915935 [0,1,0,1,0,0|0,0,0]=2 111 B14R1.3135 NCC1=C(C=CC=C1)CC(N)C(=O)O Z3210773710 [0,0,1,0,1,0|2,0,0]=4 112 B14R1.6449 NC(CCCC1=CC=CC=C1)C(=O)O Z1259335833 [0,0,1,0,1,0|0,0,2]=4 113 B14R1.6449 NC(CCSC1=CC=CC=C1)C(=O)O Z1080372958 [0,0,1,0,1,0|1,0,1]=4 114 B14R1.6449 NC(CNCC1=CC=CC=C1)C(=O)O Z1945696031 [0,0,1,0,1,0|1,0,1]=4 115 B14R1.6449 N[C@@H](CCOC1=CC=CC=C1)C(=O)O Z1262524421 [0,0,1,0,1,0|1,0,1]=4 116 B16R2.36 CC(=O)NCCC1=CNC2=C1C=CC=C2 Z26395416 [1,0,0,0,0,1|1,0,0]=3 117 B16R2.36 N=C(N)NCCC1=CNC2=C1C=CC=C2 Z1089997728 [1,0,0,0,0,1|2,0,0]=4 118 B16R2.36 O=C(O)CCCC1=CNC2=C1C=CC=C2 Z56754864 [1,0,0,0,0,1|0,0,0]=2 119 B16R2.36 O=C(O)CCCC1=CSC2=C1C=CC=C2 Z370714626 [1,0,0,0,0,1|1,0,0]=3 120 B16R2.36 O=C(O)CCCC1=NNC2=C1C=CC=C2 Z1509682641 [1,0,0,0,0,1|1,0,0]=3 121 B16R2.36 O=C(O)CCCN1C=NC2=C1C=CC=C2 Z285049656 [1,0,0,0,0,1|1,0,1]=4 122 B16R2.477 O=C(O)CCC1=CC2=C(C=CC=C2)C=C1 Z317037912 [1,0,0,0,0,1|1,0,0]=3 123 B16R2.477 O=C(O)CCC1=CC2=C(C=CC=C2)N=C1 Z1272682544 [1,0,0,0,0,1|0,0,1]=3 124 B16R2.477 O=C(O)COC1=CC2=C(C=CC=C2)C=C1 Z57246951 [1,0,0,0,0,1|2,0,0]=4 125 B16R2.477 O=C(O)CSC1=CC2=C(C=CC=C2)C=C1 Z56755986 [1,0,0,0,0,1|2,0,0]=4 126 B16R2.477 O=C(O)CSC1=NC2=C(C=CC=C2)N=C1 Z57040471 [1,0,0,0,0,1|1,0,1]=4 127 B16R2.179941 CC(=O)CCC1=C2C=CC=CC2=CN=C1 Z1233207880 [1,0,0,0,0,1|1,0,1]=4 128 B16R2.179941 O=C(O)CCC1=C2C=CC=CC2=CC=C1 Z317037922 [1,0,0,0,0,1|1,0,0]=3 129 B16R2.179941 O=C(O)CCC1=C2C=CC=CC2=CN=C1 Z1272682681 [1,0,0,0,0,1|0,0,1]=3 130 B16R2.179941 O=C(O)CCC1=C2C=CC=CC2=NC=C1 Z1165164633 [1,0,0,0,0,1|0,0,1]=3 131 B16R2.179941 O=C(O)CCC1=C2C=CN=CC2=CC=C1 Z3301406443 [1,0,0,0,0,1|2,0,0]=4 132 B16R2.179941 O=C(O)CNC1=C2C=CC=CC2=NC=N1 Z57000603 [1,0,0,0,0,1|1,0,1]=4 133 B16R2.179941 O=C(O)COC1=C2C=CC=CC2=CC=C1 Z56900768 [1,0,0,0,0,1|2,0,0]=4 134 B16R2.179941 O=C(O)COC1=C2C=CC=CC2=NC=N1 Z111781332 [1,0,0,0,0,1|1,0,1]=4 135 B16R2.179941 O=C(O)CSC1=C2C=CC=CC2=CC=N1 Z276158602 [1,0,0,0,0,1|2,0,0]=4 136 B16R2.179941 O=C(O)CSC1=C2C=CC=CC2=NC=N1 Z56754267 [1,0,0,0,0,1|1,0,1]=4