0 B13R1.547 [Li]OC(=O)C1=NC=CN=C1C(C)C CS-0654515 [0,0,0,0,0,0|4,0,0]=4 1 B12R1.77 C#CC1=NC=CC=C1C(=O)OC CS-0610408 [1,0,0,0,0,0|2,0,1]=4 2 B12R1.77 CNC(=O)C1=CC=CC=C1OC CS-0876253 [1,0,0,0,0,0|2,0,0]=3 3 B12R1.77 COC(=O)C1=C(C#N)C=CN=C1 CS-0567560 [1,0,0,0,0,0|3,0,0]=4 4 B12R1.77 COC(=O)C1=C(C=O)C=NC=C1 CS-0527112 [1,0,0,0,0,0|3,0,0]=4 5 B12R1.77 COC(=O)C1=C(CCl)C=CN=C1 CS-0696452 [1,0,0,0,0,0|3,0,0]=4 6 B12R1.77 COC(=O)C1=C(NN)C=CC=C1 CS-0696667 [1,0,0,0,0,0|1,0,0]=2 7 B12R1.77 COC(=O)C1=C(NN)N=CC=C1 CS-0579307 [1,0,0,0,0,0|2,0,0]=3 8 B12R1.77 COC(=O)C1=C(OC)N=NC=C1 CS-0668528 [1,0,0,0,0,0|3,0,0]=4 9 B12R1.77 COC(=O)C1=CC=CC=C1CN CS-0150794 [1,0,0,0,0,0|2,0,0]=3 10 B12R1.77 COC(=O)C1=CC=NC=C1OC CS-0210872 [1,0,0,0,0,0|2,0,0]=3 11 B12R1.77 COC(=O)C1=CN=CN=C1OC CS-0456132 [1,0,0,0,0,0|3,0,0]=4 12 B12R1.77 COC(=O)C1=NC=NC=C1OC CS-0653186 [1,0,0,0,0,0|3,0,0]=4 13 B12R1.77 COC1=CC=CC=C1C(=O)C=O CS-W016092 [1,0,0,0,0,0|3,0,0]=4 14 B12R1.77 COC1=CC=CC=C1C(=O)CN CS-0121782 [1,0,0,0,0,0|3,0,0]=4 15 B12R1.77 COC1=CC=CC=C1C(=O)CO CS-0517940 [1,0,0,0,0,0|3,0,0]=4 16 B12R1.261 CC(C)C1=NC=NC=C1C(=O)O CS-0249538 [1,0,0,0,0,0|3,0,0]=4 17 B12R1.261 CC(N)C1=CC=CC=C1N(C)C CS-0161675 [1,0,0,0,0,0|1,0,1]=3 18 B12R1.261 CC(O)C1=C(N(C)C)C=CC=C1 CS-0717794 [1,0,0,0,0,0|0,0,2]=3 19 B12R1.261 CN(C)C1=C(C(=O)O)C=CC=N1 CS-0460542 [1,0,0,0,0,0|1,0,0]=2 20 B12R1.261 CN(C)C1=CC=CC=C1B(O)O CS-0176065 [1,0,0,0,0,0|1,0,1]=3 21 B12R1.261 C[C@H](N)C1=CC=CC=C1C(=O)O CS-0867327 [1,0,0,0,0,0|2,0,0]=3 22 B14R1.745 COC(=O)C1=CC=CC=C1S(=O)(=O)O CS-0667855 [0,1,0,0,0,0|3,0,0]=4 23 B14R1.1126 COC(=O)C1=CC=C(F)C=C1C(=O)O CS-0160712 [0,1,0,0,0,0|3,0,0]=4 24 B14R1.1126 COC(=O)C1=CN=C(Cl)C=C1N(C)C CS-0445923 [0,1,0,0,0,0|1,0,0]=2 25 B14R1.1153 COC(=O)C1=CC=CC(Cl)=C1C(=O)O CS-0567200 [0,1,0,0,0,0|3,0,0]=4 26 B14R1.1153 COC(=O)C1=CC=CC(N)=C1[N+](=O)[O-] CS-0534612 [0,1,0,0,0,0|2,0,1]=4 27 B14R1.1164 COC(=O)C1=C(B(O)O)C=CC=C1F CS-0176097 [0,1,0,0,0,0|3,0,0]=4 28 B14R1.1164 COC(=O)C1=C(C)C=CC=C1B(O)O CS-0178687 [0,1,0,0,0,0|3,0,0]=4 29 B14R2.24350 O=C1OCC2=C1C([N+](=O)[O-])=CC=C2 CS-0060621 [0,0,0,1,0,0|2,0,1]=4 30 B12R1.368 COC(=O)C1=C(C(C)C)C=CN1 CS-0310055 [0,0,0,0,1,0|2,0,0]=3 31 B14R1.744 COC(=O)C1=C(OC(C)C)N=CC=C1 CS-0195641 [0,0,0,0,0,1|2,0,0]=3 32 B14R1.744 COC(=O)C1=CC=CN=C1CC(C)C CS-0309975 [0,0,0,0,0,1|2,0,0]=3 33 B14R1.3302 CC(C)C1=CC=CC=C1NC(=O)CCl CS-0218665 [0,0,0,0,0,1|3,0,0]=4 34 B11R1.53 C=C(C)C1=C(OC)C=CC=C1 CS-1056136 [2,0,0,0,0,0|1,0,1]=4 35 B11R1.53 CC(C)C1=CC=CC=C1CO CS-0210959 [2,0,0,0,0,0|1,0,1]=4 36 B11R1.53 CCC1=C(C(=O)O)C=CN=C1 CS-0005624 [2,0,0,0,0,0|2,0,0]=4 37 B11R1.53 CCC1=C(C(=O)O)C=CN=C1 CS-0224848 [2,0,0,0,0,0|2,0,0]=4 38 B11R1.53 CCC1=C(C(=O)O)C=NC=C1 CS-0188347 [2,0,0,0,0,0|2,0,0]=4 39 B11R1.53 CCC1=CC=CN=C1C(C)=O CS-0225358 [2,0,0,0,0,0|2,0,0]=4 40 B11R1.53 CN(C)C1=CC=CC=C1CO CS-0216707 [2,0,0,0,0,0|0,0,1]=3 41 B11R1.53 CNC1=C(C(=O)O)C=NC=C1 CS-0586615 [2,0,0,0,0,0|1,0,0]=3 42 B11R1.53 CNC1=C(C(=O)O)C=NN=C1 CS-0675150 [2,0,0,0,0,0|2,0,0]=4 43 B11R1.53 CNC1=C(C(C)C)C=CC=C1 CS-0969019 [2,0,0,0,0,0|1,0,1]=4 44 B11R1.53 CNC1=C(C(N)=O)C=CC=N1 CS-0699137 [2,0,0,0,0,0|2,0,0]=4 45 B11R1.53 CNC1=CC=CC=C1C(C)C CS-0699040 [2,0,0,0,0,0|1,0,1]=4 46 B11R1.53 CNC1=CC=CC=C1N(C)C CS-0223105 [2,0,0,0,0,0|1,0,0]=3 47 B11R1.53 CNC1=CC=CN=C1N(C)C CS-0221931 [2,0,0,0,0,0|2,0,0]=4 48 B11R1.53 COC1=C(C(C)=O)C=NC=C1 CS-0052874 [2,0,0,0,0,0|2,0,0]=4 49 B11R1.53 COC1=CC=CC=C1[C@@H](C)O CS-0216630 [2,0,0,0,0,0|2,0,0]=4 50 B11R1.53 CSC1=CC=CC=C1C(C)=O CS-0006414 [2,0,0,0,0,0|1,0,0]=3 51 B11R1.53 NNC1=C(C(=O)O)C=CC=N1 CS-0327234 [2,0,0,0,0,0|2,0,0]=4 52 B11R1.53 NNC1=C(C(=O)O)C=CN=C1 CS-0650553 [2,0,0,0,0,0|2,0,0]=4 53 B11R1.53 O=[IH2]C1=CC=CC=C1C(=O)O CS-0179663 [2,0,0,0,0,0|2,0,0]=4 54 B11R1.222 CCC(=O)C1=C(N)C=CN=C1 CS-0232405 [2,0,0,0,0,0|2,0,0]=4 55 B11R1.222 CNC(=O)C1=C(Cl)C=CC=C1 CS-0763553 [2,0,0,0,0,0|2,0,0]=4 56 B11R1.222 COC(=O)C1=C(Br)C=CN=C1 CS-0139106 [2,0,0,0,0,0|2,0,0]=4 57 B11R1.222 COC(=O)C1=C(C)C=NC=C1 CS-0688193 [2,0,0,0,0,0|1,0,0]=3 58 B11R1.222 COC(=O)C1=C(C)C=NC=N1 CS-0696994 [2,0,0,0,0,0|2,0,0]=4 59 B11R1.222 COC(=O)C1=C(C)C=NN=C1 CS-0048966 [2,0,0,0,0,0|2,0,0]=4 60 B11R1.222 COC(=O)C1=C(F)C=CN=C1 CS-0457102 [2,0,0,0,0,0|2,0,0]=4 61 B11R1.222 COC(=O)C1=C(N)N=NC=C1 CS-0196627 [2,0,0,0,0,0|2,0,0]=4 62 B11R1.222 COC(=O)C1=CN=CC=C1Br CS-0194045 [2,0,0,0,0,0|2,0,0]=4 63 B11R1.222 COC(=O)C1=NC=NC=C1N CS-0183738 [2,0,0,0,0,0|2,0,0]=4 64 B13R1.107 COC(=O)C1=C(OC)C(N)=CC=C1 CS-0340945 [1,1,0,0,0,0|1,0,0]=3 65 B13R1.107 COC(=O)C1=CC=CC(Br)=C1C=O CS-0101121 [1,1,0,0,0,0|2,0,0]=4 66 B13R1.107 COC(=O)C1=CC=CC(C)=C1OC CS-0208771 [1,1,0,0,0,0|1,0,0]=3 67 B13R1.107 COC(=O)C1=CC=CC(O)=C1OC CS-0160008 [1,1,0,0,0,0|1,0,0]=3 68 B13R1.382 C=COC1=CC=CC=C1C(=O)OC CS-0238073 [1,1,0,0,0,0|1,0,1]=4 69 B13R1.382 CCOC1=C(C(=O)OC)C=CC=N1 CS-0195648 [1,1,0,0,0,0|2,0,0]=4 70 B13R1.464 C=CC1=CC=CC=C1C(=O)OCC CS-W004208 [1,1,0,0,0,0|1,0,1]=4 71 B13R1.464 CCOC(=O)C1=C(NN)N=CC=C1 CS-0661900 [1,1,0,0,0,0|2,0,0]=4 72 B13R1.464 CCOC(=O)C1=C(OC)N=CC=C1 CS-0195649 [1,1,0,0,0,0|2,0,0]=4 73 B13R1.2065 CCC1=CC(N)=CC=C1C(=O)OC CS-0160909 [1,1,0,0,0,0|1,0,0]=3 74 B13R1.2065 COC(=O)C1=C(OC)N=C(N)C=C1 CS-0172554 [1,1,0,0,0,0|2,0,0]=4 75 B13R1.2065 COC(=O)C1=CC=C(Br)C=C1SC CS-0191396 [1,1,0,0,0,0|1,0,0]=3 76 B13R1.2065 COC(=O)C1=CC=C(C)N=C1OC CS-0525323 [1,1,0,0,0,0|2,0,0]=4 77 B13R1.2129 CCS(=O)(=O)C1=CC=CC=C1NC CS-0265179 [1,1,0,0,0,0|2,0,0]=4 78 B13R1.2209 CNC(=O)C1=C(OC)C=CC(N)=C1 CS-0464630 [1,1,0,0,0,0|2,0,0]=4 79 B13R1.2209 CNC1=CC=C(C)N=C1C(=O)OC CS-0160577 [1,1,0,0,0,0|1,0,0]=3 80 B13R1.2209 COC(=O)C1=C(OC)C=CC(N)=C1 CS-0335793 [1,1,0,0,0,0|1,0,0]=3 81 B13R1.2209 COC(=O)C1=C(OC)N=CC(N)=C1 CS-0207616 [1,1,0,0,0,0|2,0,0]=4 82 B13R1.2209 COC(=O)C1=CC(Br)=CC=C1CN CS-0133811 [1,1,0,0,0,0|2,0,0]=4 83 B13R1.2209 COC(=O)C1=CC(C)=CN=C1OC CS-0080845 [1,1,0,0,0,0|2,0,0]=4 84 B13R1.2209 COC(=O)C1=CC(F)=CC=C1SC CS-0195272 [1,1,0,0,0,0|1,0,0]=3 85 B13R1.2209 COC(=O)C1=CC(F)=CN=C1OC CS-0080816 [1,1,0,0,0,0|2,0,0]=4 86 B13R1.2357 CNC1=CC=CC(Br)=C1C(=O)OC CS-0517004 [1,1,0,0,0,0|0,0,0]=2 87 B13R1.2357 COC(=O)C1=C(O)C=CC=C1C=O CS-0140946 [1,1,0,0,0,0|2,0,0]=4 88 B13R1.2357 COC(=O)C1=C(OC)C=CC=C1I CS-0572635 [1,1,0,0,0,0|1,0,0]=3 89 B13R1.2357 COC(=O)C1=C(SC)C=CC=C1F CS-0756352 [1,1,0,0,0,0|1,0,0]=3 90 B13R1.165 CN(C)C1=C(C(=O)O)C=C(N)C=C1 CS-0314089 [1,1,0,0,0,0|0,0,0]=2 91 B13R1.165 CN(C)C1=C(C(N)=O)C=C(N)C=C1 CS-0318686 [1,1,0,0,0,0|1,0,0]=3 92 B13R1.295 CC(O)C1=C(F)C=CC=C1N(C)C CS-0262531 [1,1,0,0,0,0|0,0,2]=4 93 B13R1.295 CC1=C(N(C)C)C([N+](=O)[O-])=CC=C1 CS-0777568 [1,1,0,0,0,0|1,0,1]=4 94 B13R1.349 CC(C)(C)C1=C(C(=O)O)C=CC=N1 CS-0447509 [1,1,0,0,0,0|2,0,0]=4 95 B15R1.11372 COC(=O)C1=CC=CC=C1CS(C)(=O)=O CS-0660845 [0,1,0,0,0,1|2,0,0]=4 96 B15R1.11677 COC(=O)C1=C(NC(C)=O)C=C(Br)C=C1 CS-0585468 [0,1,0,0,0,1|2,0,0]=4 97 B15R1.11677 COC(=O)C1=C(NC(C)C)C=C(F)N=C1 CS-0469307 [0,1,0,0,0,1|2,0,0]=4 98 B15R1.38499 COC(=O)C1=CC=CC(F)=C1OC(C)C CS-0194288 [0,1,0,0,0,1|1,0,0]=3 99 B15R1.9034 CN(C)C1=CC=CC=C1C(=O)C(F)(F)F CS-0300277 [0,2,0,0,0,0|2,0,0]=4 100 B15R1.927 COC(=O)C1=C(S(C)(=O)=O)C=CC(C)=C1 CS-0463390 [0,2,0,0,0,0|2,0,0]=4 101 B15R1.927 COC(=O)C1=CC(N)=CC=C1C(C)(C)C CS-0567557 [0,2,0,0,0,0|1,0,0]=3 102 B15R1.38521 COC(=O)C1=C(C(=O)OC)C=C(Cl)C=C1 CS-0331717 [0,2,0,0,0,0|2,0,0]=4 103 B15R1.38521 COC(=O)C1=C(C(=O)OC)C=C(I)C=C1 CS-0454037 [0,2,0,0,0,0|2,0,0]=4 104 B15R1.38509 COC(=O)C1=C(C(=O)OC)C(Cl)=CC=C1 CS-0566971 [0,2,0,0,0,0|2,0,0]=4 105 B15R1.38509 COC(=O)C1=CC=CC(I)=C1C(=O)OC CS-0509347 [0,2,0,0,0,0|2,0,0]=4 106 B13R2.371 CN1CCC(=O)C2=C1C=CC=C2 CS-0308335 [1,0,0,1,0,0|1,0,0]=3 107 B13R2.582 O=C1OCC2=C1C(CO)=CC=C2 CS-0865950 [1,0,0,1,0,0|2,0,0]=4 108 B13R2.5514 CC(=O)C1=CC=CC=C1C2CC2 CS-0469562 [1,0,0,1,0,0|1,0,0]=3 109 B13R2.5514 O=C(O)C1=CC=NC=C1C2CC2 CS-0271417 [1,0,0,1,0,0|2,0,0]=4 110 B13R2.5514 O=C(O)C1=CN=CC=C1C2CC2 CS-0464030 [1,0,0,1,0,0|2,0,0]=4 111 B13R2.1079 COC(=O)C1=C(C2CC2)C=CS1 CS-0521174 [0,0,0,1,1,0|2,0,0]=4 112 B15R2.19309 COC(=O)C1=C2OC(C)=NC2=CC=C1 CS-0875549 [0,0,0,1,0,1|2,0,0]=4 113 B15R2.19309 COC(=O)C1=C2SC(C)=NC2=CC=C1 CS-0037348 [0,0,0,1,0,1|2,0,0]=4 114 B15R2.23388 COC(=O)[C@@H]1C[C@H](N)C2=C1C=CC=C2 CS-0246897 [0,0,0,1,0,1|2,0,0]=4 115 B15R2.7494 CC1(C)CNC(=O)C2=C1C=CC(Br)=C2 CS-0448591 [0,1,0,1,0,0|2,0,0]=4 116 B15R2.42587 CN1CCNC(=O)C2=CC=C(Br)C=C21 CS-0879619 [0,1,0,1,0,0|1,0,0]=3 117 B15R2.19310 COC(=O)C1=CC=CC2=C1C(=O)CC2 CS-0236682 [0,1,0,1,0,0|2,0,0]=4 118 B15R2.13622 CC1(C)CNC(=O)C2=C1C(N)=CC=C2 CS-0625471 [0,1,0,1,0,0|2,0,0]=4 119 B15R2.61346 CC1(C)CNC(=O)C2=C1C=CC=C2N CS-0625479 [0,1,0,1,0,0|2,0,0]=4 120 B11R1.59 CCC1=C(C(=O)OC)C=CN1 CS-W007254 [1,0,0,0,1,0|2,0,0]=4 121 B11R1.59 CCC1=CNC=C1C(=O)OC CS-0461853 [1,0,0,0,1,0|2,0,0]=4 122 B13R1.91 CCC(=O)CC1=CC=CC=C1OC CS-0517084 [1,0,0,0,0,1|2,0,0]=4 123 B13R1.91 COC(=O)CC1=C(CN)C=CC=C1 CS-0957153 [1,0,0,0,0,1|2,0,0]=4 124 B13R1.91 COC(=O)NC1=CC=CC=C1CO CS-0038874 [1,0,0,0,0,1|2,0,0]=4 125 B13R1.543 COC(=O)C1=CC(N(C)C)=CN=C1 CS-0450687 [0,0,0,0,1,1|1,0,0]=3 126 B13R1.543 COC(=O)C1=CC(N(C)C)=NC=C1 CS-0308751 [0,0,0,0,1,1|1,0,0]=3 127 B13R1.543 COC(=O)C1=CC=CC(C(C)=O)=N1 CS-0367434 [0,0,0,0,1,1|2,0,0]=4 128 B13R1.543 COC(=O)C1=CC=CC(C(C)N)=C1 CS-0106182 [0,0,0,0,1,1|2,0,0]=4 129 B13R1.543 COC(=O)C1=CC=CC(C(C)O)=C1 CS-0456853 [0,0,0,0,1,1|2,0,0]=4 130 B13R1.543 COC(=O)C1=CC=CC([C@@H](C)N)=C1 CS-0158202 [0,0,0,0,1,1|2,0,0]=4 131 B13R1.543 COC(=O)C1=CC=CC([C@H](C)N)=C1 CS-0335097 [0,0,0,0,1,1|2,0,0]=4