0 B14R1.756 CCC(C)C(=O)NCc1cccnc1 AIFCHEM-6213184276 [0,0,0,0,0,0|2,0,2]=4 1 B14R1.756 CCN(C)C(=O)C#Cc1ccccc1 AIFCHEM-94563268852 [0,0,0,0,0,0|2,0,2]=4 2 B14R1.756 CC[C@@H](C)C(=O)NCc1cccnc1 AIFCHEM-6263710997 [0,0,0,0,0,0|2,0,2]=4 3 B14R1.756 CC[C@H](C)C(=O)NCc1cccnc1 AIFCHEM-6277259016 [0,0,0,0,0,0|2,0,2]=4 4 B13R1.351 CC(C)C(=O)NCc1ccncc1 AIFCHEM-94574679489 [1,0,0,0,0,0|2,0,1]=4 5 B15R1.488 CCC(CC)C(=O)NCc1ccccc1 AIFCHEM-94539160118 [0,1,0,0,0,0|1,0,2]=4 6 B15R1.826 CCN[C@@H](C)C(=O)OCc1ccccc1 AIFCHEM-94537422847 [0,1,0,0,0,0|0,0,2]=3 7 B15R1.826 CCN[C@H](C)C(=O)OCc1ccccc1 AIFCHEM-94608377058 [0,1,0,0,0,0|0,0,2]=3 8 B15R1.826 CCOC(C)C(=O)NCc1ccccc1 AIFCHEM-94554641309 [0,1,0,0,0,0|1,0,2]=4 9 B15R1.947 CCN(C)C(=O)CC(O)c1ccccc1 AIFCHEM-94563266785 [0,1,0,0,0,0|2,0,1]=4 10 B15R1.1001 CCN(C)C(=O)CCc1ccc(cc1)C AIFCHEM-94563263790 [0,1,0,0,0,0|2,0,1]=4 11 B15R1.1001 CCN(C)C(=O)CCc1ccc(cc1)I AIFCHEM-6126098973 [0,1,0,0,0,0|2,0,1]=4 12 B15R1.1002 CCC(C)C(=O)NCc1cccc(c1)Cl AIFCHEM-6229180887 [0,1,0,0,0,0|1,0,2]=4 13 B15R1.1002 CCN(C)C(=O)CCc1cccc(c1)Br AIFCHEM-94563267339 [0,1,0,0,0,0|2,0,1]=4 14 B15R1.1002 CC[C@@H](C)C(=O)NCc1cccc(c1)Cl AIFCHEM-6230979990 [0,1,0,0,0,0|1,0,2]=4 15 B15R1.1002 CC[C@H](C)C(=O)NCc1cccc(c1)Cl AIFCHEM-6225640667 [0,1,0,0,0,0|1,0,2]=4 16 B15R1.1002 CO[C@@H](C)C(=O)NCc1cccc(c1)C AIFCHEM-5729476828 [0,1,0,0,0,0|2,0,1]=4 17 B15R1.1002 CO[C@H](C)C(=O)NCc1cccc(c1)C AIFCHEM-5729025209 [0,1,0,0,0,0|2,0,1]=4 18 B15R1.1323 CCC(C)C(=O)NCc1ccccc1Cl AIFCHEM-5878044037 [0,1,0,0,0,0|1,0,2]=4 19 B15R1.1323 CCC(C)C(=O)NCc1ccccc1O AIFCHEM-94592066860 [0,1,0,0,0,0|1,0,2]=4 20 B15R1.1323 CCN(C)C(=O)CCc1ccccc1C AIFCHEM-6173202362 [0,1,0,0,0,0|2,0,1]=4 21 B15R1.1323 CC[C@@H](C)C(=O)NCc1ccccc1Cl AIFCHEM-94555020872 [0,1,0,0,0,0|1,0,2]=4 22 B15R1.1323 CC[C@@H](C)C(=O)NCc1ccccc1O AIFCHEM-94592071260 [0,1,0,0,0,0|1,0,2]=4 23 B15R1.1323 CC[C@H](C)C(=O)NCc1ccccc1Cl AIFCHEM-94555018661 [0,1,0,0,0,0|1,0,2]=4 24 B15R1.1323 CC[C@H](C)C(=O)NCc1ccccc1O AIFCHEM-94592069049 [0,1,0,0,0,0|1,0,2]=4 25 B15R1.1323 COC(C)C(=O)NCc1ccccc1O AIFCHEM-94592072096 [0,1,0,0,0,0|2,0,1]=4 26 B15R1.1323 CO[C@@H](C)C(=O)NCc1ccccc1I AIFCHEM-6173239781 [0,1,0,0,0,0|2,0,1]=4 27 B15R1.1323 CO[C@@H](C)C(=O)NCc1ccccc1O AIFCHEM-94592070454 [0,1,0,0,0,0|2,0,1]=4 28 B15R1.1323 CO[C@H](C)C(=O)NCc1ccccc1I AIFCHEM-94574483344 [0,1,0,0,0,0|2,0,1]=4 29 B15R1.1323 CO[C@H](C)C(=O)NCc1ccccc1O AIFCHEM-94592070450 [0,1,0,0,0,0|2,0,1]=4 30 B15R1.3678 CC(C(=O)NCc1ccccc1)N(C)C AIFCHEM-94539154859 [0,1,0,0,0,0|2,0,1]=4 31 B15R1.3678 CC(C)C(C)C(=O)NCc1ccccc1 AIFCHEM-94554636791 [0,1,0,0,0,0|1,0,2]=4 32 B15R1.3678 CC(C)N(C)C(=O)CCc1ccccc1 AIFCHEM-94547948245 [0,1,0,0,0,0|2,0,1]=4 33 B15R1.3678 C[C@@H](C(=O)NCc1ccccc1)N(C)C AIFCHEM-94539156157 [0,1,0,0,0,0|2,0,1]=4 34 B15R1.3678 C[C@H](C(=O)NCc1ccccc1)N(C)C AIFCHEM-5867817696 [0,1,0,0,0,0|2,0,1]=4 35 B15R2.505 CC1CC1C(=O)NCc2ccccc2 AIFCHEM-94539156284 [0,0,0,1,0,0|1,0,2]=4 36 B15R2.505 C[C@@H]1C[C@H]1C(=O)NCc2ccccc2 AIFCHEM-5855539913 [0,0,0,1,0,0|1,0,2]=4 37 B15R2.505 C[C@H]1C[C@@H]1C(=O)NCc2ccccc2 AIFCHEM-94554636908 [0,0,0,1,0,0|1,0,2]=4 38 B15R2.24490 O=C(CCc1ccccc1)N2CCC2 AIFCHEM-94604931541 [0,0,0,1,0,0|2,0,1]=4 39 B13R1.135 CCN(C)C(=O)Cc1cccnc1 AIFCHEM-94529327136 [0,0,0,0,1,0|2,0,1]=4 40 B13R1.135 COC(C)C(=O)Nc1ccccc1 AIFCHEM-94552044371 [0,0,0,0,1,0|2,0,1]=4 41 B13R1.135 CO[C@@H](C)C(=O)Nc1ccccc1 AIFCHEM-94577032985 [0,0,0,0,1,0|2,0,1]=4 42 B13R1.135 CO[C@H](C)C(=O)Nc1ccccc1 AIFCHEM-94577032981 [0,0,0,0,1,0|2,0,1]=4 43 B15R1.1321 CCN(C)C(=O)CCCc1ccccc1 AIFCHEM-94563264578 [0,0,0,0,0,1|2,0,1]=4 44 B14R1.156 C/C=C/CC(=O)NCc1ccccc1 AIFCHEM-5834514380 [1,1,0,0,0,0|1,0,0]=3 45 B14R1.156 C/C=C/CC(=O)NCc1cccnc1 AIFCHEM-6213990814 [1,1,0,0,0,0|2,0,0]=4 46 B14R1.156 C/C=C/CC(=O)NCc1ccncc1 AIFCHEM-5802194814 [1,1,0,0,0,0|2,0,0]=4 47 B14R1.161 CC(C)C(=O)NCc1ccccc1O AIFCHEM-94545042099 [1,1,0,0,0,0|1,0,1]=4 48 B14R1.161 Cc1ccccc1CNC(=O)C(C)C AIFCHEM-94545053996 [1,1,0,0,0,0|1,0,1]=4 49 B14R1.679 CC(C)C(=O)NCc1ccc(cc1)Br AIFCHEM-94545048579 [1,1,0,0,0,0|1,0,1]=4 50 B14R1.679 CC(C)C(=O)NCc1ccc(cc1)I AIFCHEM-94545048646 [1,1,0,0,0,0|1,0,1]=4 51 B14R1.85 CCN(C)C(=O)C(O)c1ccccc1 AIFCHEM-6099672372 [0,1,0,0,1,0|1,0,1]=4 52 B14R1.85 CCN(C)C(=O)[C@@H](O)c1ccccc1 AIFCHEM-94563264316 [0,1,0,0,1,0|1,0,1]=4 53 B14R1.85 CCN(C)C(=O)[C@H](O)c1ccccc1 AIFCHEM-94563268643 [0,1,0,0,1,0|1,0,1]=4 54 B14R1.134 CCN(C)C(=O)Cc1ccc(cc1)I AIFCHEM-94563264498 [0,1,0,0,1,0|1,0,1]=4 55 B14R1.135 CCN(C)C(=O)Cc1cccc(c1)Cl AIFCHEM-94563264711 [0,1,0,0,1,0|1,0,1]=4 56 B16R1.4122 CC(=O)N(C)CC(=O)NCc1ccccc1 AIFCHEM-94539158433 [0,1,0,0,0,1|2,0,0]=4 57 B16R1.4122 CC(=O)N(C)CC(=O)OCc1ccccc1 AIFCHEM-6117011958 [0,1,0,0,0,1|1,0,0]=3 58 B16R1.1516 CCCN[C@@H](C)C(=O)OCc1ccccc1 AIFCHEM-94569019930 [0,2,0,0,0,0|0,0,2]=4 59 B16R1.1516 CCCN[C@H](C)C(=O)OCc1ccccc1 AIFCHEM-94569017585 [0,2,0,0,0,0|0,0,2]=4 60 B16R1.6944 CC(=O)NC(C)C(=O)NCc1ccccc1 AIFCHEM-6026630701 [0,2,0,0,0,0|1,0,1]=4 61 B16R1.6944 CC(=O)N[C@@H](C)C(=O)NCc1ccccc1 AIFCHEM-5794769567 [0,2,0,0,0,0|1,0,1]=4 62 B16R1.6944 CC(=O)N[C@H](C)C(=O)NCc1ccccc1 AIFCHEM-94539154802 [0,2,0,0,0,0|1,0,1]=4 63 B14R2.95 C/C=C(\C)/c1coc2c1cccc2 AIFCHEM-94584220128 [1,0,0,1,0,0|2,0,0]=4 64 B14R2.972 C/C=C(\C)/c1cc2ccccc2s1 AIFCHEM-94584217860 [0,0,0,1,1,0|0,1,1]=4 65 B16R1.1343 CCC(=O)NCC(=O)OCc1ccccc1 AIFCHEM-94572374703 [0,0,0,0,0,2|1,0,1]=4