0 B9R1.13 CC(=O)Cc1ccco1 B22171 [0,0,0,0,0,0|2,1,1]=4 1 B9R1.13 CC(=O)Nc1nccs1 B23873 [0,0,0,0,0,0|2,0,1]=3 2 B9R1.13 CC(C)Cc1nccs1 A13759 [0,0,0,0,0,0|0,0,0]=0 3 B9R1.13 CN(C)CC1=CC=CC1 L07915 [0,0,0,0,0,0|3,0,0]=3 4 B9R1.13 c1cc(sc1)CC(=O)Cl L09323 [0,0,0,0,0,0|3,0,1]=4 5 B9R1.13 c1cc(sc1)CC(=O)N L19221 [0,0,0,0,0,0|3,0,1]=4 6 B9R1.13 c1cc(sc1)CC(=O)O A10394 [0,0,0,0,0,0|3,0,1]=4 7 B9R1.13 c1cc(sc1)CC(=S)N H58178 [0,0,0,0,0,0|3,0,1]=4 8 B8R1.8 CCCc1ccco1 B21703 [1,0,0,0,0,0|1,1,0]=3 9 B8R1.8 CCCc1cccs1 L03052 [1,0,0,0,0,0|1,0,0]=2 10 B8R1.8 CCCc1nccs1 A11574 [1,0,0,0,0,0|0,0,0]=1 11 B8R1.8 CSCc1ccco1 B21691 [1,0,0,0,0,0|2,1,0]=4 12 B8R1.8 c1c(nc[nH]1)CCN L09198 [1,0,0,0,0,0|3,0,0]=4 13 B8R1.8 c1cc(sc1)CC#N A15047 [1,0,0,0,0,0|2,0,1]=4 14 B8R1.8 c1cc(sc1)CCN A10920 [1,0,0,0,0,0|2,0,0]=3 15 B8R1.8 c1cc(sc1)CCO B21562 [1,0,0,0,0,0|2,0,0]=3 16 B10R1.23 C[C@@H](C1=CC=CC1)N(C)C H25777 [0,1,0,0,0,0|3,0,0]=4 17 B10R1.27 COC(=O)Cc1cccs1 A12110 [0,1,0,0,0,0|2,0,1]=4 18 B10R1.54 CC(=O)Nc1ncc(s1)Cl L17151 [0,1,0,0,0,0|2,0,1]=4 19 B10R1.281 C[N+](C)(C)CC1=CC=CC1 39399 [0,1,0,0,0,0|3,0,0]=4 20 B8R1.7 CC(=C1C=CC=C1)C B21826 [0,0,0,0,1,0|2,0,1]=4 21 B8R1.7 CC(=O)c1cccs1 A13062 [0,0,0,0,1,0|2,0,1]=4 22 B8R1.7 CC(=O)c1nccs1 A11266 [0,0,0,0,1,0|1,0,1]=3 23 B8R1.7 CC(C)c1[nH]ccn1 A13307 [0,0,0,0,1,0|1,0,0]=2 24 B8R1.7 CC(c1cccs1)N H26052 [0,0,0,0,1,0|2,0,0]=3 25 B8R1.7 C[C@H](c1cccs1)O H26936 [0,0,0,0,1,0|2,0,0]=3 26 B8R1.7 c1csc(n1)C(=O)O H63620 [0,0,0,0,1,0|2,0,1]=4 27 B10R1.18 CC(C)Cc1ccccn1 B22349 [0,0,0,0,0,1|1,0,0]=2 28 B10R1.18 CC(C)Cc1cccnc1 B22080 [0,0,0,0,0,1|1,0,0]=2 29 B10R1.18 CC(C)Cc1cnccn1 A10245 [0,0,0,0,0,1|1,0,0]=2 30 B10R1.18 CC(C)Nc1ccccc1 L10646 [0,0,0,0,0,1|3,0,0]=4 31 B10R1.18 CC(C)Sc1ccccc1 A17124 [0,0,0,0,0,1|3,0,0]=4 32 B10R1.18 CN(C)Cc1ccccc1 A12191 [0,0,0,0,0,1|3,0,0]=4 33 B10R1.18 C[SiH](C)Cc1ccccc1 L05334 [0,0,0,0,0,1|2,1,0]=4 34 B10R1.66 CC(C)SCc1ccco1 B21994 [0,0,0,0,0,1|1,1,0]=3 35 B7R0.2 CC(C)NC(=O)C=C H66262 [1,0,1,0,0,0|1,1,0]=4 36 B7R1.1 CCC1=CC=CC1 39253 [2,0,0,0,0,0|2,0,0]=4 37 B7R1.1 CCC1=CC=CC1 H27592 [2,0,0,0,0,0|2,0,0]=4 38 B7R1.1 CCC1=CC=CC1 H27618 [2,0,0,0,0,0|2,0,0]=4 39 B7R1.1 CCC1=CC=CC1 H27769 [2,0,0,0,0,0|2,0,0]=4 40 B7R1.1 CCc1[nH]ccn1 B24090 [2,0,0,0,0,0|1,0,0]=3 41 B7R1.1 CCc1ccco1 A15520 [2,0,0,0,0,0|1,1,0]=4 42 B7R1.1 CCc1cccs1 A13372 [2,0,0,0,0,0|1,0,0]=3 43 B7R1.1 COc1cccs1 A10455 [2,0,0,0,0,0|2,0,0]=4 44 B7R1.1 COc1nccs1 B25655 [2,0,0,0,0,0|1,0,0]=3 45 B7R1.1 CSc1cccs1 A11763 [2,0,0,0,0,0|2,0,0]=4 46 B7R1.1 CSc1nccs1 B25137 [2,0,0,0,0,0|1,0,0]=3 47 B7R1.1 c1cc(sc1)CN A11700 [2,0,0,0,0,0|2,0,0]=4 48 B7R1.1 c1cc(sc1)CO A15768 [2,0,0,0,0,0|2,0,0]=4 49 B7R1.1 c1csc(n1)C#N H63425 [2,0,0,0,0,0|1,0,1]=4 50 B7R1.1 c1csc(n1)C=O H63329 [2,0,0,0,0,0|1,0,1]=4 51 B9R1.7 CCCC1=NNC(=O)C1 B25214 [1,1,0,0,0,0|2,0,0]=4 52 B9R1.7 CCSc1nnc(s1)N B25624 [1,1,0,0,0,0|2,0,0]=4 53 B9R1.7 CCSc1nnc(s1)S B22464 [1,1,0,0,0,0|2,0,0]=4 54 B9R1.11 CC(c1cccs1)NC H51109 [1,1,0,0,0,0|2,0,0]=4 55 B9R1.11 CCC(=O)c1cccs1 L02318 [1,1,0,0,0,0|1,0,1]=4 56 B9R1.11 CCC(=O)c1nccs1 B21711 [1,1,0,0,0,0|0,0,1]=3 57 B9R1.11 CCC(C)c1nccs1 A13483 [1,1,0,0,0,0|0,0,0]=2 58 B9R1.11 COC(=O)c1nccs1 H63496 [1,1,0,0,0,0|1,0,1]=4 59 B9R1.12 CCCCC1=CC=CC1 H27576 [1,1,0,0,0,0|2,0,0]=4 60 B9R1.12 CCCCc1ccco1 A13376 [1,1,0,0,0,0|1,1,0]=4 61 B9R1.12 CCCCc1cccs1 A12740 [1,1,0,0,0,0|1,0,0]=3 62 B9R1.19 CC(C)(C)C1=CC=CC1 39405 [0,1,0,0,1,0|2,0,0]=4 63 B9R1.19 CC(C)(C)C1=CC=CC1 H26892 [0,1,0,0,1,0|2,0,0]=4 64 B9R1.19 CC(C)(C)C1=CC=CC1 H27638 [0,1,0,0,1,0|2,0,0]=4 65 B9R1.19 CC(C)(C)C1=CC=CC1 H27714 [0,1,0,0,1,0|2,0,0]=4 66 B9R1.19 CC(C)(C)c1ccco1 H55639 [0,1,0,0,1,0|1,1,0]=4 67 B9R1.19 CC(C1=CC=CC1)(C)C H27791 [0,1,0,0,1,0|2,0,0]=4 68 B9R1.19 C[Si](C)(C)c1cccs1 H61170 [0,1,0,0,1,0|1,1,0]=4 69 B9R1.19 C[Si](C)(C)c1nccs1 B21903 [0,1,0,0,1,0|0,1,0]=3 70 B9R1.35 CN(C)c1nc(=S)ss1 B20574 [0,1,0,0,1,0|2,0,0]=4 71 B9R1.35 Cc1csc(n1)C(C)C A13532 [0,1,0,0,1,0|0,0,0]=2 72 B11R1.20 CC(C)Cc1ccc(cc1)[Mg+] H54201 [0,1,0,0,0,1|2,0,0]=4 73 B11R1.20 CC(C)Oc1ccc(cn1)Br H32564 [0,1,0,0,0,1|2,0,0]=4 74 B11R1.20 CC(C)Oc1ccc(cn1)I H50140 [0,1,0,0,0,1|2,0,0]=4 75 B11R1.36 CC(C)C(c1ccccc1)O B20729 [0,1,0,0,0,1|2,0,0]=4 76 B11R1.86 CC(C)Oc1c(cccn1)Br H52360 [0,1,0,0,0,1|2,0,0]=4 77 B11R1.86 CC(C)Oc1c(cccn1)I H50083 [0,1,0,0,0,1|2,0,0]=4 78 B11R1.509 CC(C)(C)Cc1ccccc1 A12941 [0,1,0,0,0,1|2,0,0]=4 79 B11R1.509 CC(C)(Cc1ccccc1)O L03679 [0,1,0,0,0,1|2,0,0]=4 80 B11R1.357 CC(C)(C)C(=O)c1cccs1 L07560 [0,2,0,0,0,0|1,0,1]=4 81 B11R1.80 CC1C(=NC(S1)CC(C)C)C H26379 [0,2,0,0,0,0|0,0,2]=4 82 B11R1.80 Cc1c(sc(n1)CC(C)C)C B22554 [0,2,0,0,0,0|0,0,0]=2 83 B9R1.6 CC(C)c1cnccn1 A13891 [0,0,1,1,0,0|1,0,1]=4 84 B9R2.2 c1c[nH]nc1C2CC2 H64069 [1,0,0,1,0,0|2,0,0]=4 85 B11R2.1031 c1cc(sc1)C(=O)C2CC2 H55262 [0,1,0,1,0,0|1,0,1]=4 86 B9R1.8 CCCc1ccccc1 B21468 [1,0,0,0,0,1|2,0,0]=4 87 B9R1.8 CCOc1ccccn1 L05649 [1,0,0,0,0,1|2,0,0]=4 88 B9R1.8 CCOc1cnccn1 B25219 [1,0,0,0,0,1|2,0,0]=4 89 B9R1.8 CNCc1cccnc1 H50262 [1,0,0,0,0,1|2,0,0]=4 90 B9R1.8 c1cc(cnc1)CCN L16311 [1,0,0,0,0,1|2,0,0]=4 91 B9R1.8 c1ccnc(c1)CCN L05627 [1,0,0,0,0,1|2,0,0]=4 92 B9R1.8 c1ccnc(c1)CCO B23579 [1,0,0,0,0,1|2,0,0]=4 93 B9R1.8 c1cnc(cn1)CCS A13045 [1,0,0,0,0,1|2,0,0]=4 94 B11R1.91 CC(C)NCc1ccccc1 B23243 [0,0,0,0,0,2|2,0,0]=4