0 B11R1.40 COC(=O)CC1=CC=CN=C1 CS-0037030 [0,0,0,0,0,0|3,0,1]=4 1 B11R1.40 [C@H](N)(CO)CC1=CC=CC=C1 CS-W018114 [0,0,0,0,0,0|3,0,0]=3 2 B10R1.17 FCCNC1=CC=CC=C1 CS-W023117 [1,0,0,0,0,0|3,0,0]=4 3 B10R1.18 CC(=O)CC1=NC=CC=C1 CS-W008575 [1,0,0,0,0,0|2,0,1]=4 4 B10R1.18 CC(C)=CC1=CC=CC=C1 CS-W007259 [1,0,0,0,0,0|0,0,2]=3 5 B12R1.34 COC(=O)C(C)C1=CC=CC=C1 CS-0047037 [0,1,0,0,0,0|2,0,1]=4 6 B12R1.49 N=C(CC1=CC=C(O)C=C1)NO CS-0037137 [0,1,0,0,0,0|2,0,1]=4 7 B12R1.50 COC(=O)CC1=CC=CC(C)=C1 CS-0088535 [0,1,0,0,0,0|2,0,1]=4 8 B12R1.118 OCC(CO)CC1=CC=CC=C1 CS-M1742 [0,1,0,0,0,0|2,0,0]=3 9 B12R1.371 COC(=O)CC1=CC=CC=C1Br CS-W004685 [0,1,0,0,0,0|2,0,1]=4 10 B12R1.371 COC(=O)CC1=CC=CC=C1N CS-0042528 [0,1,0,0,0,0|2,0,1]=4 11 B12R2.24 OC1CNC2=C(C=CC=C2)C1 CS-B0459 [0,0,0,1,0,0|3,0,0]=4 12 B12R2.32 C#CC1CC2=CC=CC=C2C1 CS-B0618 [0,0,0,1,0,0|1,0,1]=3 13 B12R2.32 CNC1=NC2=C(C=CC=C2)S1 CS-0038973 [0,0,0,1,0,0|2,0,1]=4 14 B10R1.15 C#CC(C)C1=CC=CC=C1 CS-B0615 [0,0,0,0,1,0|1,0,1]=3 15 B10R1.15 C#CC(O)C1=CC=CC=C1 CS-W013411 [0,0,0,0,1,0|2,0,1]=4 16 B10R1.15 C[C@@H](CN)C1=CC=CC=C1 CS-0028334 [0,0,0,0,1,0|2,0,0]=3 17 B10R1.15 OCC(O)C1=CC=CC=C1 CS-W016504 [0,0,0,0,1,0|3,0,0]=4 18 B9R1.8 CCCC1=CC=CC=C1 CS-0035165 [2,0,0,0,0,0|0,0,0]=2 19 B9R1.8 CNCC1=NC=CC=C1 CS-0062387 [2,0,0,0,0,0|1,0,0]=3 20 B9R1.8 NNCC1=CC=CN=C1 CS-W021776 [2,0,0,0,0,0|2,0,0]=4 21 B11R1.1 CCNCC1=CC=C(C)C=C1 CS-0045363 [1,1,0,0,0,0|2,0,0]=4 22 B11R1.16 OC(CCCl)C1=CC=CC=C1 CS-W019837 [1,1,0,0,0,0|2,0,0]=4 23 B11R1.24 O=CCCC1=CC=CC(Br)=C1 CS-B0312 [1,1,0,0,0,0|2,0,0]=4 24 B11R1.24 OCCCC1=CC=CC(Br)=C1 CS-B0313 [1,1,0,0,0,0|2,0,0]=4 25 B11R1.28 C#CCNCC1=CC=CC=C1 CS-0047035 [1,1,0,0,0,0|1,0,1]=4 26 B11R1.28 OCCCCC1=CC=NC=C1 CS-0028752 [1,1,0,0,0,0|2,0,0]=4 27 B11R1.91 O=[N+]([O-])CCC1=CC=CC=C1 CS-W021067 [1,1,0,0,0,0|1,0,1]=4 28 B11R1.36 NC(=O)[C@@H](N)C1=CC=CC=C1 CS-W021161 [1,1,0,0,0,0|1,0,1]=4 29 B11R1.86 CC(C)OC1=CC=CC=C1N CS-W002583 [1,1,0,0,0,0|1,0,0]=3 30 B11R1.86 CC(C)OC1=NC=CC=C1Br CS-0097339 [1,1,0,0,0,0|2,0,0]=4 31 B11R1.157 CC(C)OC1=CC(Br)=CC=N1 CS-0036316 [1,1,0,0,0,0|2,0,0]=4 32 B11R1.157 CC(C)OC1=CC=CC(Br)=C1 CS-M1734 [1,1,0,0,0,0|1,0,0]=3 33 B11R1.157 CC(C)OC1=CC=CC(O)=C1 CS-0032819 [1,1,0,0,0,0|1,0,0]=3 34 B11R1.509 CC(C)(C)OC1=NC=CC=C1 CS-0028779 [1,1,0,0,0,0|2,0,0]=4 35 B11R1.7 C#CC(C)(C)C1=CC=CC=C1 CS-B0616 [0,1,0,0,1,0|1,0,1]=4 36 B11R1.22 CNC(=O)C1=CC=C(I)C=C1 CS-0102088 [0,1,0,0,1,0|1,0,1]=4 37 B11R1.23 CNC(=O)C1=CC=CC(Br)=C1 CS-W020621 [0,1,0,0,1,0|1,0,1]=4 38 B11R1.222 CNC(=O)C1=CC=CC=C1N CS-W004940 [0,1,0,0,1,0|1,0,1]=4 39 B13R1.417 BrCC(CBr)OCC1=CC=CC=C1 CS-M3431 [0,1,0,0,0,1|2,0,0]=4 40 B13R1.133 CC(CC1=CC=C(F)C=C1)C(=O)O CS-0038549 [0,2,0,0,0,0|2,0,0]=4 41 B11R2.20 C1=CC=C2OCCCC2=C1 CS-M3130 [1,0,0,1,0,0|2,0,0]=4 42 B11R2.20 C1=NC=C2CCNCC2=C1 CS-WAA0313 [1,0,0,1,0,0|1,0,0]=3 43 B11R2.20 C1=NC=C2CNCCC2=C1 CS-D0201 [1,0,0,1,0,0|1,0,0]=3 44 B11R2.10 BrC1CC2=C(C=CC=C2)C1 CS-0042740 [1,0,0,1,0,0|1,0,0]=3 45 B11R2.10 CC1CC2=CC=CN=C2N1 CS-B1774 [1,0,0,1,0,0|1,0,0]=3 46 B11R2.40 NC1(C2=CC=CC=C2)CC1 CS-B0487 [0,0,0,1,1,0|2,0,0]=4 47 B13R2.57 CN[C@H]1CNC2=CC=CC=C2C1 CS-M0364 [0,0,0,1,0,1|0,0,0]=2 48 B13R2.57 CN[C@H]1CNC2=CC=CC=C2C1 CS-M3644 [0,0,0,1,0,1|0,0,0]=2 49 B13R2.8137 N[C@@H](C1=CC=CC=C1)C2CCC2 CS-0034126 [0,1,0,1,0,0|1,0,0]=3 50 B13R2.8137 N[C@H](C1=CC=CC=C1)C2CCC2 CS-0034127 [0,1,0,1,0,0|1,0,0]=3 51 B13R2.423 O=C(O)[C@@H]1C[C@H]1C2=CC=CC=C2 CS-W008367 [0,1,0,1,0,0|2,0,0]=4 52 B13R2.3683 CN1CCC2=CC(O)=CC=C2C1 CS-0047256 [0,1,0,1,0,0|2,0,0]=4 53 B13R2.5190 CC1=CC2=C(C=CC(O)=C2)N1C CS-0099209 [0,1,0,1,0,0|0,0,2]=4 54 B13R2.5190 CC1=NC2=CC(N)=CC=C2N1C CS-0097055 [0,1,0,1,0,0|1,0,1]=4 55 B13R2.5190 CN1C(=O)CC2=CC(O)=CC=C21 CS-0036169 [0,1,0,1,0,0|1,0,1]=4 56 B13R2.162 NC1=CC=CC2=C1CC(O)CC2 CS-B0024 [0,1,0,1,0,0|2,0,0]=4 57 B9R1.6 CC(Cl)C1=CN=CC=C1 CS-0046962 [1,0,0,0,1,0|2,0,0]=4 58 B9R1.6 CC(N)C1=CC=NC=C1 CS-0109447 [1,0,0,0,1,0|1,0,0]=3 59 B9R1.6 CC(N)C1=NC=CC=N1 CS-W021261 [1,0,0,0,1,0|2,0,0]=4 60 B9R1.6 C[C@@H](N)C1=CC=CN=C1 CS-0029799 [1,0,0,0,1,0|1,0,0]=3 61 B9R1.6 C[C@H](N)C1=CC=NC=C1 CS-0098146 [1,0,0,0,1,0|1,0,0]=3 62 B9R1.6 C[C@H](N)C1=NC=CC=C1 CS-M3539 [1,0,0,0,1,0|1,0,0]=3