0 B11R1.180 CNCCCc1scnc1C 1P0283OD [0,0,0,0,0,0|3,0,0]=3 1 B11R1.180 O=COCCc1scnc1C 1P00H1TN [0,0,0,0,0,0|0,0,0]=0 2 B10R1.21 O=C=NCCc1cccs1 1P00EAAP [1,0,0,0,0,0|2,0,1]=4 3 B10R1.29 Cc1ncsc1CCCBr 1P028AQR [1,0,0,0,0,0|1,0,1]=3 4 B10R1.29 Cc1ncsc1CCCCl 1P02917C [1,0,0,0,0,0|1,0,1]=3 5 B10R1.29 Cc1ncsc1CCCN 1P00I6MO [1,0,0,0,0,0|1,0,1]=3 6 B10R1.29 Cc1ncsc1CCCN 1P00J1HA [1,0,0,0,0,0|1,0,1]=3 7 B10R1.29 Cc1ncsc1CCCO 1P00F4GG [1,0,0,0,0,0|0,0,2]=3 8 B12R1.130 CC(=O)OCCc1scnc1C 1P00IBYX [0,1,0,0,0,0|0,0,0]=1 9 B12R1.130 Cc1ncsc1COCC(=O)O 1P01BBTW [0,1,0,0,0,0|2,0,0]=3 10 B12R1.130 OC(=O)CCCc1sccc1C 1P01A2BC [0,1,0,0,0,0|2,0,0]=3 11 B12R1.130 OC(=O)CCCn1ccnc1C 1P007D7M [0,1,0,0,0,0|3,0,0]=4 12 B12R1.130 OC(=O)CCCn1ccnc1C 1P00J1VM [0,1,0,0,0,0|3,0,0]=4 13 B12R1.130 [O-][N+](=O)OCCc1scnc1C 1P00CH7M [0,1,0,0,0,0|1,0,0]=2 14 B12R1.318 CCOC(=O)Cc1scnc1C 1P00BYKQ [0,1,0,0,0,0|1,0,2]=4 15 B12R1.372 COCCNCc1scnc1C 1P01BFWC [0,1,0,0,0,0|3,0,0]=4 16 B12R2.44 O=NN1CCc2c(C1)ccs2 1P028QNE [0,0,0,1,0,0|3,0,0]=4 17 B12R2.114 O=C1CCCc2c(C1)ccs2 1P01DVDI [0,0,0,1,0,0|2,0,0]=3 18 B12R2.114 O=C1CCCc2c(N1)ccs2 1P00DL61 [0,0,0,1,0,0|3,0,0]=4 19 B12R2.196 Brc1ncn2c1CCNC2=O 1P01C7U7 [0,0,0,1,0,0|3,0,0]=4 20 B12R2.196 O=C1CCCc2c1cnn2C 1P004M5Z [0,0,0,1,0,0|3,0,0]=4 21 B12R2.196 O=C1NCCc2c1cnn2C 1P0204XD [0,0,0,1,0,0|3,0,0]=4 22 B12R2.196 O=C1NCCn2c1cnc2C 1P028C8V [0,0,0,1,0,0|3,0,0]=4 23 B9R1.12 COCCc1cccs1 1P0284DO [2,0,0,0,0,0|1,0,1]=4 24 B9R1.12 O=CCCc1ccco1 1P024Z0F [2,0,0,0,0,0|1,1,0]=4 25 B9R1.12 O=CCCc1cccs1 1P002TCP [2,0,0,0,0,0|1,0,0]=3 26 B9R1.12 O=CCCc1cscc1 1P01J8CC [2,0,0,0,0,0|2,0,0]=4 27 B9R1.12 OCCCc1cncs1 1P01C61L [2,0,0,0,0,0|0,0,2]=4 28 B9R1.33 CNCc1scnc1C 1P00GSXT [2,0,0,0,0,0|1,0,1]=4 29 B9R1.33 Cc1nccn1CCO 1P003F90 [2,0,0,0,0,0|2,0,0]=4 30 B9R1.33 Cc1ncsc1CC#N 1P01AUTZ [2,0,0,0,0,0|1,0,1]=4 31 B9R1.33 Cc1ncsc1CCBr 1P00FGP2 [2,0,0,0,0,0|1,0,0]=3 32 B9R1.33 Cc1ncsc1CCCl 1P00DEHU [2,0,0,0,0,0|1,0,0]=3 33 B9R1.33 Cc1ncsc1CCCl 1P00EGCT [2,0,0,0,0,0|1,0,0]=3 34 B9R1.33 Cc1ncsc1CCN 1P00EDQY [2,0,0,0,0,0|1,0,0]=3 35 B9R1.33 Cc1ncsc1CCO 1P00135B [2,0,0,0,0,0|0,0,0]=2 36 B9R1.33 Cc1scnc1CCO 1P0076Q3 [2,0,0,0,0,0|2,0,0]=4 37 B9R1.33 Cn1nccc1CCO 1P01A00I [2,0,0,0,0,0|2,0,0]=4 38 B9R1.33 Cn1ncnc1CCO 1P01BB4U [2,0,0,0,0,0|2,0,0]=4 39 B9R1.33 NCCc1sccc1C 1P01A4W7 [2,0,0,0,0,0|2,0,0]=4 40 B9R1.33 NCCc1scnc1C 1P009A8D [2,0,0,0,0,0|1,0,0]=3 41 B9R1.33 NCCc1scnc1C 1P00J3UB [2,0,0,0,0,0|1,0,0]=3 42 B9R1.33 NCCc1scnc1C 1P019FER [2,0,0,0,0,0|1,0,0]=3 43 B9R1.33 O=CCc1sccc1C 1P01EMO8 [2,0,0,0,0,0|1,0,0]=3 44 B9R1.33 OCCc1sccc1Br 1P009JN1 [2,0,0,0,0,0|2,0,0]=4 45 B9R1.33 OCCc1sccc1C 1P01DW6N [2,0,0,0,0,0|1,0,0]=3 46 B11R1.172 CC(=O)NCCc1cnc[nH]1 1P005PFQ [1,1,0,0,0,0|2,0,0]=4 47 B11R1.172 NC(=O)NCCc1cccs1 1P008UOR [1,1,0,0,0,0|2,0,0]=4 48 B11R1.172 OC(=O)CCCc1cccs1 1P00349F [1,1,0,0,0,0|2,0,0]=4 49 B11R1.172 OC(=O)CCCc1cncs1 1P01BA4F [1,1,0,0,0,0|1,0,0]=3 50 B11R1.90 CC(=O)CCn1ccnc1C 1P008VKB [1,1,0,0,0,0|2,0,0]=4 51 B11R1.90 Cc1nccn1CCC(=O)O 1P002PDO [1,1,0,0,0,0|2,0,0]=4 52 B11R1.90 Cc1nccn1CCC(=O)O 1P009AIT [1,1,0,0,0,0|2,0,0]=4 53 B11R1.90 Cc1nccn1CCC(=O)O 1P00J1M6 [1,1,0,0,0,0|2,0,0]=4 54 B11R1.90 Cc1ncsc1CCC(=O)O 1P00EE9J [1,1,0,0,0,0|0,0,0]=2 55 B11R1.90 Cc1ncsc1\C=C\C(=O)O 1P02928Z [1,1,0,0,0,0|0,0,2]=4 56 B11R1.90 Cc1nocc1CCC(=O)O 1P0291QX [1,1,0,0,0,0|2,0,0]=4 57 B11R1.90 Cn1nccc1CCC(=O)O 1P00GA5Y [1,1,0,0,0,0|2,0,0]=4 58 B11R1.90 Cn1ncnc1CCC(=O)O 1P027ZM8 [1,1,0,0,0,0|2,0,0]=4 59 B11R1.90 OC(=O)CCc1sccc1Br 1P01ELL3 [1,1,0,0,0,0|2,0,0]=4 60 B11R1.90 OC(=O)CCc1sccc1Cl 1P0292OQ [1,1,0,0,0,0|2,0,0]=4 61 B11R1.228 CC(C=O)Cc1ccnn1C 1P01A6PU [1,1,0,0,0,0|2,0,0]=4 62 B13R1.167 CC(=O)COCCc1scnc1C 1P01EKAX [0,2,0,0,0,0|0,0,0]=2 63 B11R2.32 O=C[C@@H]1C[C@H]1c2cccs2 1P028DJS [1,0,0,1,0,0|2,0,0]=4 64 B11R2.106 O=C1CCCc2c1ccs2 1P003NHK [1,0,0,1,0,0|2,0,0]=4 65 B11R2.106 O=C1CCCc2c1nc[nH]2 1P01H9OW [1,0,0,1,0,0|2,0,0]=4 66 B11R2.106 O=C1CCCc2c1nns2 1P027TVL [1,0,0,1,0,0|2,0,0]=4 67 B11R2.106 O=C1NCCc2c1ccs2 1P00FEP6 [1,0,0,1,0,0|2,0,0]=4 68 B11R2.106 O=C1NCCc2c1nco2 1P028V8C [1,0,0,1,0,0|1,1,0]=4 69 B11R2.106 O=C1NCCc2n1cnc2 1P001L10 [1,0,0,1,0,0|2,0,0]=4 70 B11R2.106 O=C1OCCc2c1[nH]cc2 1P01A1M4 [1,0,0,1,0,0|1,0,1]=4 71 B11R2.106 O=C1OCCc2c1scc2 1P00BHZ7 [1,0,0,1,0,0|2,0,0]=4 72 B11R2.36 O=C1CCc2c(C1)scc2 1P01C9SS [1,0,0,1,0,0|2,0,0]=4 73 B13R2.5179 Cc1ncc2c(c1)CCCC2=O 1P01BYAQ [0,0,0,1,0,1|2,0,0]=4 74 B13R2.430 ClC(=O)N1CCc2c(C1)ccs2 1P02907S [0,1,0,1,0,0|2,0,0]=4 75 B13R2.430 NC(=O)N1CCc2c(C1)ccs2 1P019W03 [0,1,0,1,0,0|2,0,0]=4 76 B13R2.430 OC(=O)C1CCc2c(C1)nc[nH]2 1P00I5IV [0,1,0,1,0,0|2,0,0]=4