0 B9R1.11 C/C=C(\C)/c1c[nH]cn1 AIFCHEM-94584216113 [0,0,0,0,0,0|3,0,1]=4 1 B9R1.11 C/C=C(\C)/c1ccco1 AIFCHEM-94584220027 [0,0,0,0,0,0|2,1,1]=4 2 B9R1.11 C/C=C(\C)/c1ccns1 AIFCHEM-94584219593 [0,0,0,0,0,0|3,0,1]=4 3 B9R1.11 C/C=C(\C)/c1cscn1 AIFCHEM-94584217508 [0,0,0,0,0,0|3,0,1]=4 4 B9R1.11 C/C=C(\C)/c1ncco1 AIFCHEM-94584211505 [0,0,0,0,0,0|1,1,1]=3 5 B9R1.11 C/C=C(\C)/c1nccs1 AIFCHEM-94584217073 [0,0,0,0,0,0|1,0,1]=2 6 B8R1.8 CC=Cc1ncc[nH]1 AIFCHEM-6407688555 [1,0,0,0,0,0|1,0,1]=3 7 B8R1.8 CCNc1cscn1 AIFCHEM-94537423279 [1,0,0,0,0,0|3,0,0]=4 8 B8R1.8 CCNc1nnco1 AIFCHEM-94537420944 [1,0,0,0,0,0|2,1,0]=4 9 B10R1.11 CCNC(C)c1nccs1 AIFCHEM-94559945291 [0,1,0,0,0,0|1,0,1]=3 10 B10R1.14 C/C=C(\C)/c1nc(ns1)C AIFCHEM-94584219636 [0,1,0,0,0,0|2,0,1]=4 11 B10R1.149 C/C=C(\C)/c1nccn1C AIFCHEM-94584214074 [0,1,0,0,0,0|2,0,1]=4 12 B10R1.15 C/C=C(\C)/c1ccccn1 AIFCHEM-94584209692 [0,0,0,0,0,1|2,0,1]=4 13 B10R1.15 C/C=C(\C)/c1cccnn1 AIFCHEM-94584222994 [0,0,0,0,0,1|2,0,1]=4 14 B10R1.15 C/C=C(\C)/c1cnccn1 AIFCHEM-94584219793 [0,0,0,0,0,1|2,0,1]=4 15 B10R1.15 CCN(C)c1cccnc1 AIFCHEM-94537417258 [0,0,0,0,0,1|3,0,0]=4 16 B10R1.27 C#CC(=O)Nc1nccs1 AIFCHEM-94590877337 [0,0,0,0,0,1|0,0,2]=3 17 B10R1.27 CCC(=O)Nc1ccon1 AIFCHEM-94526503544 [0,0,0,0,0,1|2,0,0]=3 18 B10R1.27 CCC(=O)Nc1cnns1 AIFCHEM-94526507238 [0,0,0,0,0,1|3,0,0]=4 19 B10R1.27 CCC(=O)Nc1cscn1 AIFCHEM-94557128905 [0,0,0,0,0,1|2,0,0]=3 20 B10R1.27 CCC(=O)Nc1ncco1 AIFCHEM-94526507592 [0,0,0,0,0,1|0,1,0]=2 21 B10R1.27 O=C(CO)Nc1nccs1 AIFCHEM-94524297920 [0,0,0,0,0,1|1,0,0]=2 22 B10R1.27 O=C(CO)Nc1nncs1 AIFCHEM-94532682329 [0,0,0,0,0,1|2,0,0]=3 23 B9R1.7 CC=Cc1cc(cs1)C AIFCHEM-6392720398 [1,1,0,0,0,0|1,0,1]=4 24 B9R1.7 CC=Cc1nc(cs1)C AIFCHEM-6293789631 [1,1,0,0,0,0|0,0,1]=3 25 B9R1.7 CCNc1nc(cs1)Br AIFCHEM-94537422116 [1,1,0,0,0,0|1,0,0]=3 26 B9R1.7 CCNc1nnc(s1)Br AIFCHEM-94537420919 [1,1,0,0,0,0|2,0,0]=4 27 B9R1.12 OCC=Cc1ncc[nH]1 AIFCHEM-6393592582 [1,1,0,0,0,0|1,0,1]=4 28 B9R1.12 OCC=Cc1nccs1 AIFCHEM-6314170789 [1,1,0,0,0,0|0,0,1]=3 29 B9R1.13 CC(=Cc1cccs1)C AIFCHEM-94564040356 [1,1,0,0,0,0|1,0,1]=4 30 B9R1.13 CC(=Cc1ncc[nH]1)C AIFCHEM-6485154680 [1,1,0,0,0,0|1,0,1]=4 31 B9R1.13 CC(=Cc1ncns1)C AIFCHEM-6328954991 [1,1,0,0,0,0|1,0,1]=4 32 B11R1.30 C#CCC(=O)Nc1ncco1 AIFCHEM-6187892188 [0,1,0,0,0,1|0,1,1]=4 33 B11R1.30 CC#CC(=O)Nc1ncns1 AIFCHEM-94536744279 [0,1,0,0,0,1|1,0,1]=4 34 B11R1.30 COCC(=O)Nc1nncs1 AIFCHEM-5984280730 [0,1,0,0,0,1|1,0,0]=3 35 B11R1.30 CSCC(=O)Nc1ncco1 AIFCHEM-6262822610 [0,1,0,0,0,1|0,1,0]=3 36 B11R1.30 CSCC(=O)Nc1nnco1 AIFCHEM-6223623301 [0,1,0,0,0,1|1,1,0]=4 37 B11R1.30 O=C(CCO)Nc1cscn1 AIFCHEM-94557127025 [0,1,0,0,0,1|2,0,0]=4 38 B11R1.35 CC(C)C(=O)Nc1ncns1 AIFCHEM-94536745447 [0,1,0,0,0,1|1,0,0]=3 39 B11R1.35 CC(C)C(=O)Nc1nnns1 AIFCHEM-94545051271 [0,1,0,0,0,1|2,0,0]=4 40 B11R1.35 CC(O)C(=O)Nc1ccon1 AIFCHEM-94571302760 [0,1,0,0,0,1|2,0,0]=4 41 B11R1.39 C#CC(=O)Nc1nc(cs1)Cl AIFCHEM-94525199590 [0,1,0,0,0,1|0,0,2]=4 42 B11R1.39 C#CC(=O)Nc1nc(cs1)O AIFCHEM-94525199246 [0,1,0,0,0,1|0,0,2]=4 43 B11R1.39 C#CC(=O)Nc1ncc(s1)C AIFCHEM-94525201578 [0,1,0,0,0,1|0,0,2]=4 44 B11R1.39 C#CC(=O)Nc1ncc(s1)F AIFCHEM-94525201697 [0,1,0,0,0,1|0,0,2]=4 45 B11R1.39 CCC(=O)Nc1cc(ns1)C AIFCHEM-94526508082 [0,1,0,0,0,1|2,0,0]=4 46 B11R1.39 CCC(=O)Nc1n[nH]c(n1)C AIFCHEM-94526507761 [0,1,0,0,0,1|2,0,0]=4 47 B11R1.39 CCC(=O)Nc1nc(cs1)C AIFCHEM-94526508975 [0,1,0,0,0,1|0,0,0]=2 48 B11R1.39 CCC(=O)Nc1nc(cs1)Cl AIFCHEM-94526508037 [0,1,0,0,0,1|0,0,0]=2 49 B11R1.39 CCC(=O)Nc1ncc(s1)F AIFCHEM-94556986659 [0,1,0,0,0,1|0,0,0]=2 50 B11R1.39 CCN(C)Cc1nc(cs1)C AIFCHEM-6099406476 [0,1,0,0,0,1|2,0,0]=4 51 B11R1.39 CCN(C)Cc1ncc(s1)Br AIFCHEM-94563261218 [0,1,0,0,0,1|2,0,0]=4 52 B11R1.39 CCN(C)Cc1ncc(s1)Cl AIFCHEM-94563259528 [0,1,0,0,0,1|2,0,0]=4 53 B11R1.39 Cc1nsc(n1)NC(=O)CO AIFCHEM-94532678734 [0,1,0,0,0,1|2,0,0]=4 54 B11R1.39 O=C(CO)Nc1ncc(s1)Cl AIFCHEM-94556416896 [0,1,0,0,0,1|1,0,0]=3 55 B11R1.39 O=C(CO)Nc1nnc(s1)Br AIFCHEM-94532682064 [0,1,0,0,0,1|2,0,0]=4 56 B11R1.29 CC(NCCO)c1nccs1 AIFCHEM-94577777792 [0,2,0,0,0,0|1,0,1]=4 57 B11R1.29 CCCNC(=O)c1cc[nH]n1 AIFCHEM-94576494631 [0,2,0,0,0,0|2,0,0]=4 58 B11R1.29 CCCNC(=O)c1ccco1 AIFCHEM-94521381097 [0,2,0,0,0,0|1,1,0]=4 59 B11R1.29 CCCNC(=O)c1cncs1 AIFCHEM-5791023939 [0,2,0,0,0,0|2,0,0]=4 60 B11R1.29 CCCNC(=O)c1nccs1 AIFCHEM-94521374375 [0,2,0,0,0,0|0,0,0]=2 61 B11R1.29 O=C(NCCF)c1ccc[nH]1 AIFCHEM-5802205843 [0,2,0,0,0,0|1,0,1]=4 62 B11R1.77 CC(C)NC(=O)c1ccc[nH]1 AIFCHEM-94520550346 [0,2,0,0,0,0|1,0,1]=4 63 B11R1.77 CC(C)NC(=O)c1nc[nH]n1 AIFCHEM-94520549212 [0,2,0,0,0,0|2,0,0]=4 64 B11R1.77 CC(C)NC(=O)c1ncc[nH]1 AIFCHEM-94520545556 [0,2,0,0,0,0|1,0,0]=3 65 B11R1.44 C/C=C(\C)/c1nc(cs1)CO AIFCHEM-94584219257 [0,2,0,0,0,0|1,0,1]=4 66 B11R1.44 C/C=C(\C)/c1ncc(s1)C=O AIFCHEM-94584218784 [0,2,0,0,0,0|1,0,1]=4 67 B11R1.44 C/C=C(\C)/c1ncc(s1)CN AIFCHEM-94570084366 [0,2,0,0,0,0|1,0,1]=4 68 B11R1.44 C/C=C(\C)/c1ncc(s1)CO AIFCHEM-94584221056 [0,2,0,0,0,0|1,0,1]=4 69 B11R1.226 C/C=C(\C)/c1nc(c(s1)C)C AIFCHEM-94584217015 [0,2,0,0,0,0|1,0,1]=4 70 B11R2.237 C(=C1CCC1)c2nccs2 AIFCHEM-6313239043 [0,0,0,1,0,1|1,0,0]=3 71 B11R2.237 C(=C1CCC1)c2nncs2 AIFCHEM-6376075741 [0,0,0,1,0,1|2,0,0]=4 72 B11R2.2 C1=C(CCC1)c2ncco2 AIFCHEM-6486103500 [0,1,0,1,0,0|1,1,0]=4 73 B11R2.2 C1=C(CCO1)c2nncs2 AIFCHEM-6376059505 [0,1,0,1,0,0|1,0,1]=4 74 B11R2.2 C1=C(CNC1)c2cccs2 AIFCHEM-94564041123 [0,1,0,1,0,0|2,0,0]=4 75 B11R2.2 C1=C(COC1)c2ncco2 AIFCHEM-6474002192 [0,1,0,1,0,0|1,1,0]=4 76 B11R2.2 C1=C(COC1)c2ncns2 AIFCHEM-6328771564 [0,1,0,1,0,0|2,0,0]=4 77 B11R2.2 C1=C(COC1)c2nncs2 AIFCHEM-6344759884 [0,1,0,1,0,0|2,0,0]=4 78 B9R1.8 CCNc1ccccn1 AIFCHEM-94537422158 [1,0,0,0,0,1|2,0,0]=4 79 B9R1.8 CCNc1cnccn1 AIFCHEM-94537422176 [1,0,0,0,0,1|2,0,0]=4 80 B9R1.8 CCNc1nccnn1 AIFCHEM-94537412256 [1,0,0,0,0,1|2,0,0]=4 81 B11R1.40 CCC(=O)Nc1ccccn1 AIFCHEM-94526506315 [0,0,0,0,0,2|1,0,0]=3 82 B11R1.40 CCC(=O)Nc1cccnn1 AIFCHEM-94554024128 [0,0,0,0,0,2|1,0,0]=3 83 B11R1.40 O=C(CO)Nc1cccnc1 AIFCHEM-94531016168 [0,0,0,0,0,2|2,0,0]=4 84 B11R1.25 CCC(=O)NCc1cncs1 AIFCHEM-94526501531 [0,0,0,0,0,2|2,0,0]=4