0 B10R1.18 CC(=O)CC1=NC=CC=C1 CS-W008575 [0,0,0,0,0,0|2,0,1]=3 1 B10R1.18 CC(C)=CC1=CC=CC=C1 CS-W007259 [0,0,0,0,0,0|1,0,2]=3 2 B9R1.8 CCCC1=CC=CC=C1 CS-0035165 [1,0,0,0,0,0|0,0,0]=1 3 B9R1.8 CNCC1=NC=CC=C1 CS-0062387 [1,0,0,0,0,0|2,0,0]=3 4 B9R1.8 NNCC1=CC=CN=C1 CS-W021776 [1,0,0,0,0,0|2,0,0]=3 5 B11R1.20 CC(=O)OC1=CC=C(O)C=C1 CS-B0170 [0,1,0,0,0,0|2,0,1]=4 6 B11R1.36 NC(=O)[C@@H](N)C1=CC=CC=C1 CS-W021161 [0,1,0,0,0,0|1,0,1]=3 7 B11R1.36 O=C(O)C(Cl)C1=CC=CC=C1 CS-0040444 [0,1,0,0,0,0|2,0,1]=4 8 B11R1.40 COC(=O)CC1=CC=CN=C1 CS-0037030 [0,1,0,0,0,0|2,0,1]=4 9 B11R1.40 [C@H](N)(CO)CC1=CC=CC=C1 CS-W018114 [0,1,0,0,0,0|0,0,0]=1 10 B11R1.86 CC(C)OC1=CC=CC=C1N CS-W002583 [0,1,0,0,0,0|2,0,0]=3 11 B11R1.86 CC(C)OC1=NC=CC=C1Br CS-0097339 [0,1,0,0,0,0|3,0,0]=4 12 B11R1.157 CC(C)OC1=CC(Br)=CC=N1 CS-0036316 [0,1,0,0,0,0|3,0,0]=4 13 B11R1.157 CC(C)OC1=CC=CC(Br)=C1 CS-M1734 [0,1,0,0,0,0|2,0,0]=3 14 B11R1.157 CC(C)OC1=CC=CC(O)=C1 CS-0032819 [0,1,0,0,0,0|2,0,0]=3 15 B11R1.157 N=C(N)NC1=CC(Cl)=CC=C1 CS-M0494 [0,1,0,0,0,0|2,0,1]=4 16 B11R1.157 O=C(O)CC1=CC=CC(I)=C1 CS-W008629 [0,1,0,0,0,0|2,0,1]=4 17 B11R1.509 CC(C)(C)OC1=NC=CC=C1 CS-0028779 [0,1,0,0,0,0|3,0,0]=4 18 B11R2.10 BrC1CC2=C(C=CC=C2)C1 CS-0042740 [0,0,0,1,0,0|1,0,0]=2 19 B11R2.10 CC1CC2=CC=CN=C2N1 CS-B1774 [0,0,0,1,0,0|1,0,0]=2 20 B11R2.10 OC1=NC2=CC=CC=C2N1 CS-W008003 [0,0,0,1,0,0|2,0,1]=4 21 B9R1.6 CC(Cl)C1=CN=CC=C1 CS-0046962 [0,0,0,0,1,0|2,0,0]=3 22 B9R1.6 CC(N)C1=CC=NC=C1 CS-0109447 [0,0,0,0,1,0|1,0,0]=2 23 B9R1.6 CC(N)C1=NC=CC=N1 CS-W021261 [0,0,0,0,1,0|2,0,0]=3 24 B9R1.6 C[C@@H](N)C1=CC=CN=C1 CS-0029799 [0,0,0,0,1,0|1,0,0]=2 25 B9R1.6 C[C@H](N)C1=CC=NC=C1 CS-0098146 [0,0,0,0,1,0|1,0,0]=2 26 B9R1.6 C[C@H](N)C1=NC=CC=C1 CS-M3539 [0,0,0,0,1,0|1,0,0]=2 27 B9R1.6 NC(=O)C1=NC=CC=C1 CS-0020700 [0,0,0,0,1,0|2,0,1]=4 28 B9R1.6 O=C([O-])C1=CC=CC=C1 CS-0013645 [0,0,0,0,1,0|2,0,1]=4 29 B11R1.91 O=[N+]([O-])CCC1=CC=CC=C1 CS-W021067 [0,0,0,0,0,1|3,0,0]=4 30 B8R1.2 NCC1=CC=NC=C1 CS-W005997 [2,0,0,0,0,0|1,0,0]=3 31 B8R1.2 NCC1=NC=NC=C1 CS-W018555 [2,0,0,0,0,0|2,0,0]=4 32 B8R1.2 NNC1=CC=CC=N1 CS-W007453 [2,0,0,0,0,0|2,0,0]=4 33 B8R1.2 NNC1=CC=CN=C1 CS-W021932 [2,0,0,0,0,0|2,0,0]=4 34 B8R1.2 SCC1=NC=CC=C1 CS-D0562 [2,0,0,0,0,0|2,0,0]=4 35 B10R1.1 CCOC1=CC=C(O)C=C1 CS-W016502 [1,1,0,0,0,0|1,0,0]=3 36 B10R1.1 CCOC1=CN=C(N)C=C1 CS-W022370 [1,1,0,0,0,0|2,0,0]=4 37 B10R1.1 CCOC1=NC=C(Br)C=C1 CS-0014710 [1,1,0,0,0,0|2,0,0]=4 38 B10R1.1 NCCC1=CC=C(Br)C=C1 CS-W009109 [1,1,0,0,0,0|0,0,0]=2 39 B10R1.4 CC1=CC=CC=C1CON CS-B1209 [1,1,0,0,0,0|1,0,0]=3 40 B10R1.4 CCNC1=C(N)C=NC=C1 CS-0047266 [1,1,0,0,0,0|2,0,0]=4 41 B10R1.4 N#CCC1=CC=CC=C1I CS-0041514 [1,1,0,0,0,0|0,0,2]=4 42 B10R1.10 CC1=CC(CNN)=CC=C1 CS-0046882 [1,1,0,0,0,0|1,0,0]=3 43 B10R1.10 CNCC1=CC=CC(Cl)=C1 CS-0030402 [1,1,0,0,0,0|1,0,0]=3 44 B10R1.10 N#CCC1=CC=CC(Br)=C1 CS-W008786 [1,1,0,0,0,0|0,0,2]=4 45 B10R1.10 N#CCC1=CC=CC(N)=C1 CS-W018941 [1,1,0,0,0,0|0,0,2]=4 46 B10R1.15 C#CC(C)C1=CC=CC=C1 CS-B0615 [1,1,0,0,0,0|0,0,2]=4 47 B10R1.15 C#CC(O)C1=CC=CC=C1 CS-W013411 [1,1,0,0,0,0|0,0,2]=4 48 B10R1.15 C[C@@H](CN)C1=CC=CC=C1 CS-0028334 [1,1,0,0,0,0|0,0,0]=2 49 B10R1.15 OCC(O)C1=CC=CC=C1 CS-W016504 [1,1,0,0,0,0|1,0,0]=3 50 B10R1.17 FCCNC1=CC=CC=C1 CS-W023117 [1,1,0,0,0,0|1,0,0]=3 51 B10R1.13 CC1=CC=C(C(C)O)C=N1 CS-B0462 [0,1,0,0,1,0|2,0,0]=4 52 B10R1.13 CC1=CC=C([C@@H](C)N)C=C1 CS-0000299 [0,1,0,0,1,0|0,0,0]=2 53 B10R1.13 CC1=CC=C([S@@](C)=O)C=C1 CS-M1249 [0,1,0,0,1,0|2,0,0]=4 54 B10R1.13 CN(C)C1=CC=C(O)C=C1 CS-W008911 [0,1,0,0,1,0|2,0,0]=4 55 B10R1.13 C[C@@H](N)C1=CC=C(Br)N=C1 CS-0101414 [0,1,0,0,1,0|1,0,0]=3 56 B10R1.13 C[C@@H](N)C1=CC=C(F)C=C1 CS-D0020 [0,1,0,0,1,0|0,0,0]=2 57 B10R1.13 C[C@H](N)C1=CC=C(Br)N=C1 CS-0101411 [0,1,0,0,1,0|1,0,0]=3 58 B10R1.13 C[C@H](N)C1=NC=C(F)C=N1 CS-M0358 [0,1,0,0,1,0|2,0,0]=4 59 B10R1.13 C[C@H](O)C1=CC=C(Cl)C=C1 CS-0039205 [0,1,0,0,1,0|1,0,0]=3 60 B10R1.13 [C@@H](C)(O)C1=CC=C(Br)C=C1 CS-W015566 [0,1,0,0,1,0|1,0,0]=3 61 B10R1.28 CS(=N)(=O)C1=CC=CC=C1 CS-0047091 [0,1,0,0,1,0|1,0,1]=4 62 B10R1.28 C[N+](C)(C)C1=CC=CC=C1 CS-W013166 [0,1,0,0,1,0|2,0,0]=4 63 B10R1.61 CC(=O)C1=CC=CC=C1Br CS-W007689 [0,1,0,0,1,0|1,0,1]=4 64 B10R1.61 CC(Cl)C1=C(F)C=NC=C1 CS-0047135 [0,1,0,0,1,0|2,0,0]=4 65 B10R1.61 CN(C)C1=CC=CC=C1N CS-W008997 [0,1,0,0,1,0|2,0,0]=4 66 B10R1.61 C[C@@H](O)C1=C(Cl)C=CC=C1 CS-B0638 [0,1,0,0,1,0|1,0,0]=3 67 B10R1.61 C[C@H](O)C1=C(Cl)C=CC=C1 CS-B0639 [0,1,0,0,1,0|1,0,0]=3 68 B10R1.61 NC1=C(C(F)F)C=CC=C1 CS-0036038 [0,1,0,0,1,0|2,0,0]=4 69 B10R1.113 CC(C)C1=NC=CC(Br)=C1 CS-0102081 [0,1,0,0,1,0|2,0,0]=4 70 B10R1.113 CC(N)C1=CC=CC(F)=C1 CS-0040943 [0,1,0,0,1,0|0,0,0]=2 71 B10R1.113 CC1=CC([C@@H](C)N)=CC=C1 CS-W020506 [0,1,0,0,1,0|0,0,0]=2 72 B10R1.113 C[C@@H](N)C1=CC=CC(Br)=C1 CS-0008494 [0,1,0,0,1,0|0,0,0]=2 73 B10R1.113 N=C(N)C1=CC(Cl)=CC=C1 CS-W020729 [0,1,0,0,1,0|1,0,1]=4 74 B10R1.113 NC1=CC(C(F)F)=CC=C1 CS-0037842 [0,1,0,0,1,0|2,0,0]=4 75 B12R1.27 NCC(=O)OCC1=CC=CC=C1 CS-W005117 [0,1,0,0,0,1|1,0,1]=4 76 B12R1.27 O=C(CBr)CCC1=CC=CC=C1 CS-W019479 [0,1,0,0,0,1|1,0,1]=4 77 B12R1.107 CN(C)C[C@@H](N)C1=CC=CC=C1 CS-M3606 [0,1,0,0,0,1|2,0,0]=4 78 B12R1.4 CN(C)CC1=CC=C(CN)C=C1 CS-W021225 [0,2,0,0,0,0|2,0,0]=4 79 B12R1.19 CC(=O)CC1=CC(O)=C(O)C=C1 CS-0047271 [0,2,0,0,0,0|1,0,1]=4 80 B12R1.19 CC1=C(N)C=C(OC(C)C)C=C1 CS-0038999 [0,2,0,0,0,0|2,0,0]=4 81 B12R1.20 CC(Br)C(=O)C1=CC=C(O)C=C1 CS-0105639 [0,2,0,0,0,0|1,0,1]=4 82 B12R1.49 N=C(CC1=CC=C(O)C=C1)NO CS-0037137 [0,2,0,0,0,0|1,0,1]=4 83 B12R1.34 COC(=O)C(C)C1=CC=CC=C1 CS-0047037 [0,2,0,0,0,0|1,0,1]=4 84 B12R1.50 COC(=O)CC1=CC=CC(C)=C1 CS-0088535 [0,2,0,0,0,0|1,0,1]=4 85 B12R1.118 OCC(CO)CC1=CC=CC=C1 CS-M1742 [0,2,0,0,0,0|1,0,0]=3 86 B12R1.371 COC(=O)CC1=CC=CC=C1Br CS-W004685 [0,2,0,0,0,0|1,0,1]=4 87 B12R1.371 COC(=O)CC1=CC=CC=C1N CS-0042528 [0,2,0,0,0,0|1,0,1]=4 88 B12R1.75 COC1=CC=CC=C1CC(N)=O CS-M2045 [0,2,0,0,0,0|1,0,1]=4 89 B12R1.151 CC(C)(C)SC1=CC=CC=C1N CS-0060971 [0,2,0,0,0,0|2,0,0]=4 90 B12R1.151 NS(=O)(=O)CC1=C(Cl)C=CC=C1 CS-0036230 [0,2,0,0,0,0|2,0,0]=4 91 B12R1.151 NS(=O)(=O)CC1=CC=CC=C1Br CS-0037304 [0,2,0,0,0,0|2,0,0]=4 92 B10R2.7 C1=CN=C2NCCC2=C1 CS-B0149 [1,0,0,1,0,0|1,0,0]=3 93 B10R2.320 BrC1CC2=CC=CC=C21 CS-W017070 [1,0,0,1,0,0|1,0,0]=3 94 B10R2.320 O=C1CC2=C1C=CC=C2 CS-W022591 [1,0,0,1,0,0|1,0,1]=4 95 B12R2.24 OC1CNC2=C(C=CC=C2)C1 CS-B0459 [0,0,0,1,0,1|1,0,0]=3 96 B12R2.2403 CC1(O)CCC2=CC=CC=C21 CS-0047056 [0,0,0,1,0,1|1,0,0]=3 97 B12R2.606 CC1=CC2=C(C=C(F)C=C2)N1 CS-0027056 [0,1,0,1,0,0|0,0,2]=4 98 B12R2.606 CC1=CC2=C(C=CC(F)=C2)N1 CS-W007738 [0,1,0,1,0,0|0,0,2]=4 99 B12R2.606 CC1=NC2=C(C=C(F)C=C2)N1 CS-W007029 [0,1,0,1,0,0|1,0,1]=4 100 B12R2.606 CC1CC2=CC(Br)=CC=C2O1 CS-0037566 [0,1,0,1,0,0|1,0,0]=3 101 B12R2.606 NC1CC2=CC(Br)=CN=C2C1 CS-0093550 [0,1,0,1,0,0|1,0,0]=3 102 B12R2.606 O=C1CC2=C(C=C(I)C=C2)N1 CS-0054232 [0,1,0,1,0,0|1,0,1]=4 103 B12R2.606 O=C1CC2=CC(I)=CC=C2N1 CS-M1385 [0,1,0,1,0,0|1,0,1]=4 104 B12R2.606 OC1CC2=C(C=C(Br)C=C2)C1 CS-0028274 [0,1,0,1,0,0|1,0,0]=3 105 B12R2.32 C#CC1CC2=CC=CC=C2C1 CS-B0618 [0,1,0,1,0,0|1,0,0]=3 106 B12R2.32 OCC1=CC2=CC=CC=C2N1 CS-W004828 [0,1,0,1,0,0|0,0,2]=4 107 B12R2.95 O=S1(=O)CC2=C(C=CC=C2)N1 CS-0038994 [0,1,0,1,0,0|2,0,0]=4 108 B12R2.202 CC1=CC2=C(C=CC=C2O)N1 CS-W008342 [0,1,0,1,0,0|0,0,2]=4 109 B12R2.202 O=C1CC2=C(F)C=CC=C2N1 CS-0032315 [0,1,0,1,0,0|1,0,1]=4 110 B12R2.202 O=C1CC2=CC=CC(Br)=C2C1 CS-0051004 [0,1,0,1,0,0|1,0,1]=4 111 B12R2.1286 FC1=CC(OC2CC2)=CC=C1 CS-0087977 [0,1,0,1,0,0|2,0,0]=4 112 B8R1.8 NCCN1C=CN=C1 CS-W005094 [1,0,0,0,1,0|2,0,0]=4 113 B8R1.8 OCCC1=CC=CO1 CS-0047160 [1,0,0,0,1,0|2,0,0]=4 114 B8R1.7 CC(N)C1=CN=CN1 CS-0062144 [0,0,0,0,2,0|2,0,0]=4 115 B8R1.7 C[C@H](N)C1=CC=CS1 CS-0106541 [0,0,0,0,2,0|1,0,0]=3