0 B13R1.45 C(=C/C(=O)C1=CC=CC=C1)\C(=O)O R152099 [0,0,0,0,0,0|2,0,1]=3 1 B13R1.45 CC(=NNC(=O)C1=CC=NC=C1)C S420018 [0,0,0,0,0,0|3,0,0]=3 2 B13R1.45 CC(=O)CCC(=O)C1=CC=CC=C1 PH010963 [0,0,0,0,0,0|3,0,0]=3 3 B13R1.45 CC(=O)NNC(=O)C1=CC=CC=C1 S669970 [0,0,0,0,0,0|3,0,0]=3 4 B13R1.45 CC(=O)NNC(=O)C1=CC=CC=N1 R160326 [0,0,0,0,0,0|4,0,0]=4 5 B13R1.45 CC(=O)NNC(=O)C1=CC=NC=C1 PH007103 [0,0,0,0,0,0|2,0,0]=2 6 B13R1.45 CC(=O)OCC(=O)C1=CC=CC=C1 T291145 [0,0,0,0,0,0|4,0,0]=4 7 B13R1.45 CC(C)CNC(=O)C1=CC=CC=C1 R531251 [0,0,0,0,0,0|3,0,1]=4 8 B13R1.45 CC(CCC(=O)O)C1=CC=CC=C1 S427314 [0,0,0,0,0,0|3,0,1]=4 9 B13R1.45 CN(C)CNC(=O)C1=CC=CC=C1 PH008934 [0,0,0,0,0,0|4,0,0]=4 10 B13R1.45 NC(=O)CNC(=O)C1=CC=CC=C1 R549444 [0,0,0,0,0,0|2,0,0]=2 11 B13R1.45 NC(=S)CNC(=O)C1=CC=CC=C1 PH010689 [0,0,0,0,0,0|2,1,0]=3 12 B13R1.45 NC(=S)COC(=O)C1=CC=CC=C1 PH003469 [0,0,0,0,0,0|3,1,0]=4 13 B13R1.45 NC(=S)NNC(=O)C1=CC=CC=C1 S511862 [0,0,0,0,0,0|3,1,0]=4 14 B13R1.45 O=C(O)CCC(=O)C1=CC=CC=C1 S39102 [0,0,0,0,0,0|2,0,0]=2 15 B13R1.45 O=C(O)COC(=O)C1=CC=CN=C1 R738832 [0,0,0,0,0,0|3,0,0]=3 16 B12R1.30 C=CCNC(=O)C1=CC=CC=C1 S884553 [1,0,0,0,0,0|2,0,0]=3 17 B12R1.30 C=CCNC(=O)C1=CC=NC=C1 T322911 [1,0,0,0,0,0|1,0,0]=2 18 B12R1.30 C=CCOC(=O)C1=CC=CC=C1 S437867 [1,0,0,0,0,0|3,0,0]=4 19 B12R1.30 CCCNC(=O)C1=CC=CC=C1 S779121 [1,0,0,0,0,0|2,0,1]=4 20 B12R1.30 N#CCNC(=O)C1=CC=CC=C1 L159336 [1,0,0,0,0,0|2,0,1]=4 21 B12R1.30 O=C(NCCBr)C1=CC=CC=C1 PH010822 [1,0,0,0,0,0|2,0,1]=4 22 B12R1.30 O=C(NCCO)C1=CC=CC=C1 EME00384 [1,0,0,0,0,0|1,0,1]=3 23 B12R1.30 O=C(NCCO)C1=CN=CC=C1 EME00383 [1,0,0,0,0,0|2,0,1]=4 24 B12R1.30 OCCNC(=S)C1=CC=CC=C1 T149144 [1,0,0,0,0,0|1,1,1]=4 25 B12R1.252 O=C(O)CCNC1=CC=CC=C1 R155780 [1,0,0,0,0,0|3,0,0]=4 26 B12R1.252 O=C(O)CCSC1=CC=CC=C1 L305855 [1,0,0,0,0,0|3,0,0]=4 27 B12R1.252 O=C(O)CC[Te]C1=CC=CC=C1 S949442 [1,0,0,0,0,0|3,0,0]=4 28 B12R1.252 O=C(O)CNCC1=NC=CC=C1 PH014769 [1,0,0,0,0,0|2,0,1]=4 29 B14R1.149 O=C(O)CCC(=O)C1=CC(=CC=C1)F PH009958 [0,1,0,0,0,0|2,0,0]=3 30 B14R1.149 O=C(O)CCC(=O)C1=CC=CC(=C1)O PH007900 [0,1,0,0,0,0|2,0,0]=3 31 B14R1.149 O=C(O)CNC(=O)C1=CC(=CC=C1)Cl R537748 [0,1,0,0,0,0|1,0,0]=2 32 B14R1.160 CC(=O)NNC(=O)C1=CC=CC=C1N R590290 [0,1,0,0,0,0|3,0,0]=4 33 B14R1.160 CC1=C(C=CC=C1)C(=O)NCC(=O)N L130575 [0,1,0,0,0,0|2,0,0]=3 34 B14R1.160 NC(=O)CNC(=O)C1=C(C=CC=C1)Cl L131350 [0,1,0,0,0,0|2,0,0]=3 35 B14R1.160 NC1=C(C=CC=C1)C(=O)NCC(=O)O PH010483 [0,1,0,0,0,0|1,0,0]=2 36 B14R1.160 O=C(O)CNC(=O)C1=CC=CC=C1Cl S676950 [0,1,0,0,0,0|1,0,0]=2 37 B14R1.163 CN(CNC(=O)C1=CC=CC=C1)N=O S323772 [0,1,0,0,0,0|3,0,0]=4 38 B14R1.163 CN(CNC(=O)C1=CC=CC=C1)N=O S327441 [0,1,0,0,0,0|3,0,0]=4 39 B14R1.163 COC(=O)CNC(=O)C1=CC=CC=C1 S750115 [0,1,0,0,0,0|1,0,0]=2 40 B14R1.163 COC(=O)CNC(C)C1=CC=CC=C1 S448311 [0,1,0,0,0,0|2,0,1]=4 41 B14R1.415 CC(NC(=O)C1=CC=CC=C1)C(=O)O S560014 [0,1,0,0,0,0|1,0,0]=2 42 B14R1.415 CC(NC(=O)C1=CC=CN=C1)C(=O)O R439096 [0,1,0,0,0,0|2,0,0]=3 43 B14R1.415 NC(CC(=O)C1=CC=CC=C1)C(=O)O S802816 [0,1,0,0,0,0|2,0,0]=3 44 B14R1.415 O=C(O)C(=O)CC(=O)C1=CC=NC=C1 CDS009563 [0,1,0,0,0,0|1,0,1]=3 45 B14R1.415 [C@H](C)(NC(=O)C1=CC=CC=C1)C(=O)O S451797 [0,1,0,0,0,0|1,0,0]=2 46 B14R1.415 [C@H](C)(NC(=O)C1=CC=CC=C1)C(=O)O S455067 [0,1,0,0,0,0|1,0,0]=2 47 B14R1.417 CN(CC(=O)O)C(=O)C1=CC=CC=C1 S117668 [0,1,0,0,0,0|1,0,0]=2 48 B14R1.417 O=C(O)CC(Br)C(=O)C1=CC=CC=C1 PH005112 [0,1,0,0,0,0|2,0,0]=3 49 B14R1.540 O=C(O)CC/C(=N\O)/C1=CC=CC=C1 PH003476 [0,1,0,0,0,0|2,0,1]=4 50 B14R1.678 CC1=CC=C(C=C1)/C(=C\CC(=O)O)/C T195170 [0,1,0,0,0,0|3,0,0]=4 51 B14R1.678 CC1=CC=C(C=C1)C(=O)/C=C/C(=O)O JRD0202 [0,1,0,0,0,0|2,0,1]=4 52 B14R1.678 CC1=CC=C(C=C1)C(=O)NCC(=O)N R548197 [0,1,0,0,0,0|2,0,0]=3 53 B14R1.678 CC1=CN=C(C=N1)C(=O)NCC(=O)O PH014836 [0,1,0,0,0,0|3,0,0]=4 54 B14R1.678 NC(=O)CNC(=O)C1=CC=C(C=C1)Br R169897 [0,1,0,0,0,0|2,0,0]=3 55 B14R1.678 NC(=O)CNC(=O)C1=CC=C(C=C1)Cl R648221 [0,1,0,0,0,0|2,0,0]=3 56 B14R1.678 NC(=O)CNC(=O)C1=CC=C(C=C1)N PH010085 [0,1,0,0,0,0|2,0,0]=3 57 B14R1.678 NC1=CC=C(C=C1)C(=O)CCC(=O)O PH002256 [0,1,0,0,0,0|2,0,0]=3 58 B14R1.678 O=C(O)/C=C/C(=O)C1=CC=C(C=C1)Br PH010535 [0,1,0,0,0,0|2,0,1]=4 59 B14R1.678 O=C(O)/C=C/C(=O)C1=CC=C(C=C1)F JRD0699 [0,1,0,0,0,0|2,0,1]=4 60 B14R1.678 O=C(O)CCC(=O)C1=CC=C(C=C1)O T136271 [0,1,0,0,0,0|2,0,0]=3 61 B14R1.678 O=C(O)CNC(=O)C1=CC=C(C=C1)Br R169889 [0,1,0,0,0,0|1,0,0]=2 62 B14R1.678 O=C(O)CNC(=O)C1=CC=C(C=C1)Cl S658049 [0,1,0,0,0,0|1,0,0]=2 63 B14R1.678 O=C(O)CSC(=S)C1=CC=C(C=C1)O PH007939 [0,1,0,0,0,0|2,1,0]=4 64 B14R1.813 O=C(O)CNS(=O)(=O)C1=CC=CC=C1 OTV000052 [0,1,0,0,0,0|2,0,0]=3 65 B14R1.3098 O=C(NCP(=O)([O-])O)C1=CN=CC=C1 S423939 [0,1,0,0,0,0|3,0,0]=4 66 B14R2.287 O=C1CCC(=O)C2=CC=CC=C2N1 PH006911 [0,0,0,1,0,0|3,0,0]=4 67 B12R1.54 O=C(O)/C=C/C(=O)C1=CC=CS1 PH000163 [0,0,0,0,1,0|2,0,1]=4 68 B12R1.54 O=C(O)CNC(=O)C1=CC=CS1 R648248 [0,0,0,0,1,0|1,0,0]=2 69 B12R1.107 C/C(=C\C(=O)O)/C1=CC=CC=C1 S808334 [0,0,0,0,1,0|2,0,1]=4 70 B12R1.107 C[C@H](CC(=O)O)C1=CC=CC=C1 PH000708 [0,0,0,0,1,0|2,0,1]=4 71 B12R1.107 N=C(N)NC(=O)C1=CC=CC=C1 S862614 [0,0,0,0,1,0|3,0,0]=4 72 B12R1.107 NC(=O)NC(=O)C1=CC=CC=C1 S450545 [0,0,0,0,1,0|2,0,0]=3 73 B14R1.420 O=C(O)CONC(=O)C1=CC=CC=C1 S388793 [0,0,0,0,0,1|1,0,0]=2 74 B14R1.423 CC(=O)NNC(=O)CC1=CC=CC=C1 S669989 [0,0,0,0,0,1|3,0,0]=4 75 B14R1.423 CC(O)CNC(=O)NC1=CC=CC=C1 S609374 [0,0,0,0,0,1|2,0,1]=4 76 B14R1.423 O=C(O)/C=C\C(=O)NC1=CC=CC=C1 S364452 [0,0,0,0,0,1|2,0,1]=4 77 B14R1.423 O=C(O)CCC(=O)NC1=CC=CC=C1 S700983 [0,0,0,0,0,1|2,0,0]=3 78 B14R1.423 O=C(O)CCC(=O)NC1=CC=CC=N1 S703036 [0,0,0,0,0,1|3,0,0]=4 79 B14R1.423 O=C(O)CCC(=O)NC1=CC=CN=C1 S704881 [0,0,0,0,0,1|3,0,0]=4 80 B14R1.423 O=C(O)CCC(=O)OC1=CC=CC=C1 PH009559 [0,0,0,0,0,1|2,0,0]=3 81 B14R1.423 O=C(O)CCS(=O)CC1=CC=CC=C1 PH010240 [0,0,0,0,0,1|3,0,0]=4 82 B14R1.423 O=C(O)CNC(=S)NC1=CC=CC=C1 S409812 [0,0,0,0,0,1|1,1,0]=3 83 B11R1.16 C=CCC(=O)C1=CC=CC=C1 T216402 [2,0,0,0,0,0|2,0,0]=4 84 B11R1.16 CCNC(=O)C1=CC=CC=C1 S681059 [2,0,0,0,0,0|1,0,1]=4 85 B11R1.16 O=C(NCO)C1=CC=CC=C1 S403466 [2,0,0,0,0,0|1,0,0]=3 86 B11R1.16 O=C(SCO)C1=CC=CC=C1 PH006830 [2,0,0,0,0,0|2,0,0]=4 87 B13R1.11 CC(CO)NC(=O)C1=CC=CC=C1 R788562 [1,1,0,0,0,0|1,0,1]=4 88 B13R1.18 O=C(NCCO)C1=CC(=CC=C1)O EME00382 [1,1,0,0,0,0|1,0,1]=4 89 B13R1.674 C=CCNC(=O)C1=CC=CC=C1Br S880698 [1,1,0,0,0,0|2,0,0]=4 90 B13R1.674 C=CCNC(=O)C1=CC=CC=C1I T110914 [1,1,0,0,0,0|2,0,0]=4 91 B13R1.674 C=CCNC(=O)C1=CC=CC=C1O S542830 [1,1,0,0,0,0|2,0,0]=4 92 B13R1.348 CN(CC(=O)O)CC1=CC=NC=C1 CBR01218 [1,1,0,0,0,0|0,0,1]=3 93 B13R1.129 CC1=CC(=NO1)C(=O)NCC(=O)O PH017371 [0,1,0,0,1,0|2,0,0]=4 94 B13R1.129 O=C(O)CCC(=O)C1=CC=C(S1)Br PH010989 [0,1,0,0,1,0|2,0,0]=4 95 B13R1.168 CC1=C(C=NO1)C(=O)NCC(=O)O CDS012101 [0,1,0,0,1,0|1,0,0]=3 96 B13R1.168 O=C(O)CNC(=O)C1=C(C=CS1)Cl T113573 [0,1,0,0,1,0|1,0,0]=3 97 B13R1.340 CN(CC(=O)O)C(=O)C1=CC=CO1 CDS016347 [0,1,0,0,1,0|1,0,0]=3 98 B13R1.340 O=C(O)CC(Br)C(=O)C1=CC=CS1 S21602 [0,1,0,0,1,0|2,0,0]=4 99 B13R1.132 CC(=O)CC(=O)C1=CC=C(C=C1)Cl JRD0754 [0,1,0,0,1,0|2,0,0]=4 100 B13R1.132 CC(=O)NC(=O)C1=CC=C(C=C1)Cl PH009070 [0,1,0,0,1,0|2,0,0]=4 101 B13R1.132 NC(=O)NC(=O)C1=CC=C(C=C1)N PH007186 [0,1,0,0,1,0|2,0,0]=4 102 B13R1.147 NC(=O)NC(=O)C1=CC=CC(=C1)Br PH009582 [0,1,0,0,1,0|2,0,0]=4 103 B13R1.201 CC(=O)CC(=O)C1=CC=CC=C1O CDS008776 [0,1,0,0,1,0|2,0,0]=4 104 B13R1.352 O=C(CS(=O)(=O)O)C1=CC=CC=C1 T164151 [0,1,0,0,1,0|2,0,0]=4 105 B15R1.500 CC(=O)C(=NNC(=O)C1=CC=NC=C1)C S420484 [0,1,0,0,0,1|1,0,1]=4 106 B15R1.882 O=C(O)CCCC(=O)C1=CC=C(C=C1)F R169609 [0,1,0,0,0,1|2,0,0]=4 107 B15R1.959 COC(=O)CCNC(=O)C1=CC=CC=C1 S883689 [0,1,0,0,0,1|1,0,0]=3 108 B15R1.959 NNC(=O)CCNC(=O)C1=CC=CC=C1 PH009843 [0,1,0,0,0,1|2,0,0]=4 109 B15R1.8019 O=C(O)CCNC(=O)C1=CC=CC=C1O PH010007 [0,1,0,0,0,1|1,0,0]=3 110 B15R1.111 NC(=O)CNC(=O)NC1=CC=C(C=C1)Cl R714801 [0,1,0,0,0,1|2,0,0]=4 111 B15R1.111 O=C(O)CCC(=O)NC1=CC=C(C=C1)Br S704431 [0,1,0,0,0,1|2,0,0]=4 112 B15R1.111 O=C(O)CCC(=O)NC1=CC=C(C=C1)F S702811 [0,1,0,0,0,1|2,0,0]=4 113 B15R1.111 O=C(O)CCC(=O)NC1=CC=C(C=C1)I S719420 [0,1,0,0,0,1|2,0,0]=4 114 B15R1.111 O=C(O)CCC(=O)NC1=CC=C(C=C1)O OTV000102 [0,1,0,0,0,1|2,0,0]=4 115 B15R1.120 O=C(O)CCC(=O)NC1=CC(=CC=C1)Cl R457426 [0,1,0,0,0,1|2,0,0]=4 116 B15R1.256 CC1=C(C=CC=C1)OC(=O)CCC(=O)O R367060 [0,1,0,0,0,1|2,0,0]=4 117 B15R1.256 O=C(O)CCC(=O)NC1=C(C=CC=C1)F S703737 [0,1,0,0,0,1|2,0,0]=4 118 B15R1.964 COC(=O)CCC(=O)NC1=CC=CC=C1 S502111 [0,1,0,0,0,1|2,0,0]=4 119 B15R1.964 COC(=O)CNC(=O)CC1=CC=CC=C1 PH010395 [0,1,0,0,0,1|1,0,0]=3 120 B15R1.964 COC(=O)NNC(=O)NC1=CC=CC=C1 R416355 [0,1,0,0,0,1|2,0,0]=4 121 B15R1.3675 CC(NC(=O)CC1=CC=CC=C1)C(=O)O PH010064 [0,1,0,0,0,1|1,0,0]=3 122 B15R1.3675 CC(NC(=O)NC1=CC=CC=C1)C(=O)O L159565 [0,1,0,0,0,1|1,0,0]=3 123 B15R1.3675 CC(OC(=O)NC1=CC=CC=C1)C(=O)O S343676 [0,1,0,0,0,1|2,0,0]=4 124 B15R1.3675 C[C@@H](OC(=O)NC1=CC=CC=C1)C(=O)O S947385 [0,1,0,0,0,1|2,0,0]=4 125 B15R1.65 COC1=CC(=CC=C1)C(=O)CCC(=O)O R580244 [0,2,0,0,0,0|2,0,0]=4 126 B15R1.133 COC(=O)CNC(=O)C1=CC=CC(=C1)N CDS021041 [0,2,0,0,0,0|1,0,0]=3 127 B15R1.889 CC1=C(C=C(C=C1)C(=O)CCC(=O)O)Cl PH010432 [0,2,0,0,0,0|2,0,0]=4 128 B15R1.889 CC1=CC=C(C=C1C)C(=O)NCC(=O)O PH006908 [0,2,0,0,0,0|1,0,0]=3 129 B15R1.8420 CC1=CC=C(C(=C1)C(=O)CCC(=O)O)C S346829 [0,2,0,0,0,0|2,0,0]=4 130 B15R1.5822 CC1=CC(=C(C=C1)C(=O)CCC(=O)O)O L497967 [0,2,0,0,0,0|2,0,0]=4 131 B15R1.5822 CC1=CC=C(C(=C1)C)C(=O)CCC(=O)O S346810 [0,2,0,0,0,0|2,0,0]=4 132 B15R1.5822 O=C(O)CNC(=O)C1=C(C=C(C=C1)Cl)Cl OTV000038 [0,2,0,0,0,0|1,0,0]=3 133 B15R1.89 CCOC(=O)CNC(=O)C1=CC=CC=C1 S677612 [0,2,0,0,0,0|1,0,0]=3 134 B15R1.132 COC(=O)CCC(=O)C1=CC=C(C=C1)Br R944742 [0,2,0,0,0,0|2,0,0]=4 135 B15R1.132 COC(=O)CCC(=O)C1=CC=C(C=C1)C R944726 [0,2,0,0,0,0|2,0,0]=4 136 B15R1.132 COC(=O)CCC(=O)C1=CC=C(C=C1)Cl JRD0348 [0,2,0,0,0,0|2,0,0]=4 137 B15R1.132 COC(=O)CCC(=O)C1=CC=C(C=C1)F R944734 [0,2,0,0,0,0|2,0,0]=4 138 B15R1.132 COC(=O)CNC(=O)C1=CC=C(C=C1)N CDS020835 [0,2,0,0,0,0|1,0,0]=3 139 B15R1.132 NNC(=O)CNC(=O)C1=CC=C(C=C1)Br R169900 [0,2,0,0,0,0|2,0,0]=4 140 B15R1.947 CC(NC(=O)C1=CC=CC=C1)C(=O)NN R432105 [0,2,0,0,0,0|2,0,0]=4 141 B15R1.950 COC(=O)CC(Br)C(=O)C1=CC=CC=C1 OTV000835 [0,2,0,0,0,0|2,0,0]=4 142 B15R1.881 C[C@@H](NC(=O)C1=CC=C(C=C1)Cl)C(=O)O PH010774 [0,2,0,0,0,0|1,0,0]=3 143 B15R1.9011 CC(C)(CC(=O)C1=CC=CC=C1)C(=O)O R261912 [0,2,0,0,0,0|2,0,0]=4 144 B15R1.880 CC(CC(=O)O)C(=O)C1=CC=C(C=C1)Cl PH011094 [0,2,0,0,0,0|2,0,0]=4 145 B15R1.880 O=C(O)CC(Br)C(=O)C1=CC=C(C=C1)F PH005192 [0,2,0,0,0,0|2,0,0]=4 146 B15R1.12173 CN(CC(=O)O)S(=O)(=O)C1=CC=CC=C1 S950181 [0,2,0,0,0,0|2,0,0]=4 147 B15R1.5 CCC1=CC=C(C=C1)C(=O)CCC(=O)O PH011458 [0,2,0,0,0,0|2,0,0]=4 148 B15R1.5 CSC1=CC=C(C=C1)C(=O)CCC(=O)O JRD0829 [0,2,0,0,0,0|2,0,0]=4 149 B15R1.903 CC1=CC=C(C=C1)S(=O)(=O)NCC(=O)O R993182 [0,2,0,0,0,0|2,0,0]=4 150 B15R1.903 NC1=CC=C(C=C1)S(=O)(=O)NCC(=O)O PH011545 [0,2,0,0,0,0|2,0,0]=4 151 B15R1.903 O=C(O)CNS(=O)(=O)C1=CC=C(C=C1)Cl R992984 [0,2,0,0,0,0|2,0,0]=4 152 B13R2.371 O=C1NCC(C2=CC=CC=C12)O PH004949 [1,0,0,1,0,0|1,0,1]=4 153 B13R2.72 O=C(O)C1NCC2=CC=CC=C12 CDS008978 [1,0,0,1,0,0|1,0,1]=4 154 B15R2.14628 O=C1CCC(C2=C1C=CC=C2)C(=O)O PH005133 [0,0,0,1,0,1|2,0,0]=4 155 B15R2.53147 O=C(O)CC1CC(=O)C2=CC=CC=C12 PH016688 [0,0,0,1,0,1|2,0,0]=4 156 B15R2.53147 O=C(O)CC1OC(=O)C2=C1C=CC=C2 PH011453 [0,0,0,1,0,1|2,0,0]=4 157 B15R2.988 O=C1CC(C2=CC=CC=C2N1)C(=O)O T324027 [0,0,0,1,0,1|2,0,0]=4 158 B15R2.993 CC1=NC2=CC=CC=C2N1CC(=O)O OTV000605 [0,0,0,1,0,1|2,0,0]=4 159 B15R2.993 NC(=O)CN1C(=O)SC2=C1C=CC=C2 R241245 [0,0,0,1,0,1|2,0,0]=4 160 B15R2.993 O=C(O)CC1C(=O)NC2=CC=CC=C12 CDS009127 [0,0,0,1,0,1|2,0,0]=4 161 B15R2.993 O=C(O)CN1C(=O)SC2=C1C=CC=C2 R245364 [0,0,0,1,0,1|1,0,0]=3 162 B15R2.1660 O=C(O)CNC1=NC2=C(S1)C=CC=C2 R427527 [0,0,0,1,0,1|1,1,0]=4 163 B15R2.7332 O=C1CNC(=O)C2=C(N1)C=CC(=C2)Cl S661791 [0,1,0,1,0,0|2,0,0]=4 164 B15R2.14951 O=C1NC(CC2=C1C=CC=C2)C(=O)O CDS021512 [0,1,0,1,0,0|1,0,0]=3 165 B15R2.7340 CN1C(=O)CNC(=O)C2=CC=CC=C12 PH010463 [0,1,0,1,0,0|2,0,0]=4 166 B11R1.91 NC(=O)CNC1=CC=CC=C1 PH010726 [1,0,0,0,1,0|2,0,0]=4 167 B11R1.91 O=C(O)/C=C/C1=CC=CC=C1 S826065 [1,0,0,0,1,0|1,0,1]=4 168 B11R1.91 O=C(O)/C=C/C1=CC=NC=C1 S786993 [1,0,0,0,1,0|0,0,1]=3 169 B11R1.91 O=C(O)CCC1=CC=NC=C1 CDS002094 [1,0,0,0,1,0|0,0,1]=3 170 B11R1.91 O=C(O)CNC1=NC=CC=C1 R411434 [1,0,0,0,1,0|2,0,0]=4 171 B11R1.77 CC(=O)CC(=O)C1=CC=CS1 TMT00516 [0,0,0,0,2,0|2,0,0]=4 172 B13R1.44 C=CCNC(=O)NC1=CC=CC=C1 S591424 [1,0,0,0,0,1|2,0,0]=4 173 B13R1.44 O=C(CC1=CC=CC=C1)NCCO PH001912 [1,0,0,0,0,1|1,0,1]=4 174 B13R1.44 O=C(NCCO)NC1=CC=CC=C1 S556297 [1,0,0,0,0,1|1,0,1]=4 175 B13R1.337 O=C(O)CCNCC1=CC=CC=C1 PH010076 [1,0,0,0,0,1|1,0,1]=4 176 B13R1.342 O=C(O)CCCC(=O)C1=CC=CS1 PH011208 [0,0,0,0,1,1|2,0,0]=4 177 B15R1.1081 O=C(O)/C=C/NC(=O)NC1=CC=CC=C1 R525103 [0,0,0,0,0,2|1,0,1]=4 178 B15R1.1081 O=C(O)CCCC(=O)NC1=CC=CC=C1 S703826 [0,0,0,0,0,2|2,0,0]=4 179 B15R1.1081 O=C(O)CONC(=O)CC1=CC=CC=C1 CDS012858 [0,0,0,0,0,2|1,0,0]=3 180 B15R1.1081 O=C(O)CSCC(=O)NC1=CC=CC=C1 L101346 [0,0,0,0,0,2|2,0,0]=4 181 B15R1.5919 NC(=O)CNC(=O)/C=C/C1=CC=CC=C1 R645486 [0,0,0,0,0,2|2,0,0]=4 182 B15R1.5919 NC(=O)CNC(=O)COC1=CC=CC=C1 R169781 [0,0,0,0,0,2|2,0,0]=4 183 B15R1.5919 O=C(O)CCC(=O)/C=C/C1=CC=CC=C1 S656682 [0,0,0,0,0,2|2,0,0]=4 184 B15R1.5919 O=C(O)CCC(=O)NNC1=CC=CC=C1 S703486 [0,0,0,0,0,2|2,0,0]=4 185 B15R1.5919 O=C(O)CCC(=O)OCC1=CC=CC=C1 R533432 [0,0,0,0,0,2|2,0,0]=4 186 B15R1.5919 O=C(O)CNC(=O)/C=C/C1=CC=CC=C1 S658200 [0,0,0,0,0,2|1,0,0]=3 187 B15R1.5919 O=C(O)CNC(=O)CCC1=CC=CC=C1 PH011135 [0,0,0,0,0,2|1,0,0]=3 188 B15R1.5919 O=C(O)CNC(=O)COC1=CC=CC=C1 R169684 [0,0,0,0,0,2|1,0,0]=3 189 B15R1.5919 O=C(O)CNC(=O)CSC1=NC=CC=C1 R550035 [0,0,0,0,0,2|2,0,0]=4