0 B12R2.315 CCC1NCCC2=C1C=CS2 Z104377960 [0,0,0,0,0,0|4,0,0]=4 1 B12R2.315 NCC1=C2SC=CC2=CC=C1 Z2429425576 [0,0,0,0,0,0|1,0,3]=4 2 B12R2.315 NCC1CCCN2C1=NC=C2 Z1268155031 [0,0,0,0,0,0|3,0,0]=3 3 B12R2.315 NCC1NCCC2=C1C=CS2 Z4359039243 [0,0,0,0,0,0|3,0,0]=3 4 B12R2.315 NCC1OCCC2=C1SC=C2 Z3300696374 [0,0,0,0,0,0|0,0,0]=0 5 B12R2.315 NC[C@@H]1OCCC2=C1SC=C2 Z4056913345 [0,0,0,0,0,0|0,0,0]=0 6 B12R2.315 NC[C@H]1OCCC2=C1SC=C2 Z4056945288 [0,0,0,0,0,0|0,0,0]=0 7 B12R2.315 OCC1CCCN2C1=NC=C2 Z1551941438 [0,0,0,0,0,0|4,0,0]=4 8 B11R2.106 CC1NCCC2=C1SC=C2 Z291278532 [1,0,0,0,0,0|1,0,0]=2 9 B11R2.106 CC1NCCN2C1=CC=C2 Z56943354 [1,0,0,0,0,0|3,0,0]=4 10 B11R2.106 NC1CCCC2=C1C=CO2 Z316258464 [1,0,0,0,0,0|3,0,0]=4 11 B11R2.106 NC1CCCC2=C1C=CS2 Z1021395154 [1,0,0,0,0,0|3,0,0]=4 12 B11R2.106 NC1CCCN2C1=NC=C2 Z2609665787 [1,0,0,0,0,0|3,0,0]=4 13 B11R2.106 O=C1OCCC2=C1NC=C2 Z1203832865 [1,0,0,0,0,0|2,0,1]=4 14 B13R2.292 CNC[C@@H]1OCCC2=C1C=CS2 Z2327164211 [0,1,0,0,0,0|2,0,0]=3 15 B13R2.292 CNC[C@H]1OCCC2=C1C=CS2 Z2327200825 [0,1,0,0,0,0|2,0,0]=3 16 B13R2.581 CC1=CN2CCCC(C2=N1)CN Z1268155032 [0,1,0,0,0,0|3,0,0]=4 17 B13R2.581 NCC1OCCC2=C1C=C(S2)F Z2186882144 [0,1,0,0,0,0|2,0,0]=3 18 B13R2.2565 CC1(OCCC2=C1C=CS2)CN Z1509490545 [0,1,0,0,0,0|2,0,0]=3 19 B13R2.5569 CC(N)C1OCCC2=C1C=CS2 Z2211231413 [0,1,0,0,0,0|2,0,0]=3 20 B13R2.5569 O=C(O)C1NCCC2=C1SC=C2 Z2738576691 [0,1,0,0,0,0|2,0,1]=4 21 B11R1.4 NCCOCCN1C=CN=N1 Z4932283192 [0,0,1,0,0,0|3,0,0]=4 22 B11R1.4 OCCCSCC1=CSC=C1 Z1270324646 [0,0,1,0,0,0|3,0,0]=4 23 B13R2.1613 CCC1NCCC2=C1C=CC=C2 Z1267881708 [0,0,0,0,0,1|3,0,0]=4 24 B13R2.1613 NCC1CCCC2=C1C=CC=C2 Z234895145 [0,0,0,0,0,1|2,0,0]=3 25 B13R2.1613 NCC1CCOC2=C1C=CC=C2 Z415655034 [0,0,0,0,0,1|3,0,0]=4 26 B13R2.1613 NCC1COCC2=C1C=CC=C2 Z3476924979 [0,0,0,0,0,1|3,0,0]=4 27 B13R2.1613 NCC1OCCC2=C1C=CC=C2 Z1695797895 [0,0,0,0,0,1|1,0,0]=2 28 B13R2.1613 NCC1SCCC2=C1C=CC=C2 Z1262636262 [0,0,0,0,0,1|1,1,0]=3 29 B13R2.1613 OCC1CCCC2=C1C=CC=C2 Z995212536 [0,0,0,0,0,1|3,0,0]=4 30 B13R2.1613 OCC1CCCC2=C1N=CC=C2 Z1216823106 [0,0,0,0,0,1|3,0,0]=4 31 B13R2.1613 OCC1NCCC2=C1C=CC=C2 Z1192380043 [0,0,0,0,0,1|3,0,0]=4 32 B10R1.9 CCC(CN)N1C=CC=N1 Z851003760 [1,0,1,0,0,0|2,0,0]=4 33 B10R1.11 CCOC(C)C1=NC=CN1 Z1263531006 [1,0,1,0,0,0|2,0,0]=4 34 B10R1.11 NC(CCO)C1=CC=CS1 Z979743758 [1,0,1,0,0,0|2,0,0]=4 35 B10R1.21 N#CCCCC1=CSC=C1 Z1188366398 [1,0,1,0,0,0|0,0,2]=4 36 B10R1.21 NCCCCC1=CNN=C1 Z1203591855 [1,0,1,0,0,0|2,0,0]=4 37 B10R1.21 NCCCCN1C=CN=C1 Z285163712 [1,0,1,0,0,0|2,0,0]=4 38 B10R1.21 NCCSCC1=CSC=C1 Z111412082 [1,0,1,0,0,0|0,1,0]=3 39 B10R1.21 OCCNCC1=CSC=C1 Z993991124 [1,0,1,0,0,0|2,0,0]=4 40 B10R1.5 CCN1N=CC=C1CCO Z1183453706 [1,0,1,0,0,0|2,0,0]=4 41 B10R1.39 CCC1=C(SC=C1)C(=O)N Z803943296 [1,0,1,0,0,0|0,0,2]=4 42 B10R1.39 CCC1=C(SC=C1)C(=O)O Z608482636 [1,0,1,0,0,0|1,0,1]=4 43 B10R1.149 CC1=C(SC=C1)C(N)CO Z1342208344 [1,0,1,0,0,0|2,0,0]=4 44 B10R1.149 CN1C=CC=C1C(O)CN Z363990702 [1,0,1,0,0,0|2,0,0]=4 45 B10R2.7 C1=C2CCOCC2=NN1 Z3021703551 [2,0,0,0,0,0|2,0,0]=4 46 B10R2.7 C1=CC2=C(N1)CCCC2 Z274765016 [2,0,0,0,0,0|2,0,0]=4 47 B10R2.7 C1=CC2=C(S1)CCNC2 Z271099584 [2,0,0,0,0,0|2,0,0]=4 48 B10R2.7 C1=CN2CCOCC2=N1 Z2293643837 [2,0,0,0,0,0|2,0,0]=4 49 B10R2.7 C1=NC2=C(N1)CCOC2 Z1255453307 [2,0,0,0,0,0|2,0,0]=4 50 B10R2.7 C1=NC2=C(S1)CCCC2 Z1255404373 [2,0,0,0,0,0|2,0,0]=4 51 B12R2.202 CC1=NC2=C(S1)C(CCC2)N Z954279338 [1,1,0,0,0,0|2,0,0]=4 52 B14R2.7150 CNCC1OCCC2=C1C=CC=C2 Z337709402 [0,1,0,0,0,1|1,0,0]=3 53 B14R2.31359 N=C(N)C1OCCC2=C1C=CC=C2 Z2194170560 [0,1,0,0,0,1|1,0,1]=4 54 B12R2.2 C1=CC(=CS1)C2CNCCO2 Z954552190 [0,0,1,1,0,0|2,0,0]=4 55 B12R2.2 C1=CC(=NN1)C2CNCCO2 Z3214061705 [0,0,1,1,0,0|2,0,0]=4 56 B12R2.2 C1=COC(=C1)C2CNCCO2 Z397586802 [0,0,1,1,0,0|0,1,0]=3 57 B12R2.2 C1=CSC(=C1)C2CNCCN2 Z2235301135 [0,0,1,1,0,0|1,0,0]=3 58 B12R2.2 C1=CSC(=C1)C2CNCCO2 Z397586766 [0,0,1,1,0,0|0,0,0]=2 59 B12R2.2 C1=CSC(=C1)C2CSCCN2 Z1218937148 [0,0,1,1,0,0|2,0,0]=4 60 B12R2.2 C1=CSC(=N1)C2CCCNC2 Z979729660 [0,0,1,1,0,0|2,0,0]=4 61 B12R2.2 C1=CSC(=N1)C2CNCCO2 Z991108012 [0,0,1,1,0,0|1,0,0]=3 62 B14R3.2544 C1=CC2=C(C=C1)[C@H]3CC[C@@H]2NC3 Z2787446704 [0,0,0,1,0,1|2,0,0]=4 63 B14R3.6343 NC1C2C1C3=C(CC2)C=CC=C3 Z1474026250 [0,0,0,1,0,1|2,0,0]=4 64 B10R2.32 NC1CCN2C1=NC=C2 Z1216842580 [1,0,0,0,1,0|2,0,0]=4 65 B12R1.8 NCCCCCC1=CC=CC=C1 Z820118542 [0,0,1,0,0,1|2,0,0]=4 66 B12R1.8 NCCOCCC1=CC=CC=C1 Z1270210787 [0,0,1,0,0,1|1,0,0]=3 67 B12R1.13 COC(CN)C1=CC(=CC=C1)Cl Z1270462953 [0,0,1,0,0,1|2,0,0]=4 68 B12R1.13 COC(CN)C1=CC(=CC=C1)F Z4182331225 [0,0,1,0,0,1|2,0,0]=4 69 B12R1.243 COC(CN)C1=C(C=CC=C1)C Z4198487631 [0,0,1,0,0,1|1,0,0]=3 70 B12R1.243 COC(CN)C1=C(C=CC=C1)Cl Z1431904016 [0,0,1,0,0,1|2,0,0]=4 71 B12R1.243 COC(CN)C1=C(C=CC=C1)F Z4199101031 [0,0,1,0,0,1|2,0,0]=4 72 B14R2.143 NCC1CCCC2=C(C1)C=CC=C2 Z3513970347 [0,0,0,0,0,2|2,0,0]=4 73 B14R2.2014 NCC1CCCCC2=C1C=CC=C2 Z5341486855 [0,0,0,0,0,2|2,0,0]=4