0 B14R2.22 c1cc(cc(c1)Br)c2csc(n2)N AB04272 [0,0,0,0,0,0|0,2,2]=4 1 B14R2.22 c1cc(cc(c1)Br)c2nc(on2)Cl AB66329 [0,0,0,0,0,0|2,1,1]=4 2 B14R2.22 c1cc(cc(c1)Cl)C2=NN=C(C2)N AB12106 [0,0,0,0,0,0|3,0,1]=4 3 B14R2.22 c1cc(cc(c1)Cl)c2csc(n2)Br AB41540 [0,0,0,0,0,0|1,1,2]=4 4 B14R2.22 c1cc(cc(c1)Cl)c2csc(n2)N AB12103 [0,0,0,0,0,0|0,1,2]=3 5 B14R2.22 c1cc(cc(c1)Cl)c2nc(no2)Cl AB84805 [0,0,0,0,0,0|3,0,1]=4 6 B14R2.22 c1cc(cc(c1)Cl)c2nc(on2)Cl AB66332 [0,0,0,0,0,0|2,0,1]=3 7 B14R2.22 c1cc(cc(c1)Cl)n2cc(cn2)N AB65400 [0,0,0,0,0,0|4,0,0]=4 8 B14R2.22 c1cc(cc(c1)F)c2csc(n2)N AB13310 [0,0,0,0,0,0|0,2,2]=4 9 B14R2.22 c1cc(cc(c1)F)c2nc(on2)Cl AB66337 [0,0,0,0,0,0|2,1,1]=4 10 B13R2.10 c1ccc(cc1)C2=NC(=NC2)Cl AB53090 [1,0,0,0,0,0|2,0,1]=4 11 B13R2.10 c1ccc(cc1)C2=NC(=NC2)N AB41897 [1,0,0,0,0,0|1,0,1]=3 12 B13R2.10 c1ccc(cc1)C2=NC(=NC2)O AB53088 [1,0,0,0,0,0|2,0,1]=4 13 B13R2.10 c1ccc(cc1)C2CC(=O)NC2 AB09758 [1,0,0,0,0,0|3,0,0]=4 14 B13R2.10 c1ccc(cc1)C2CCC(=O)C2 AB03360 [1,0,0,0,0,0|3,0,0]=4 15 B13R2.10 c1ccc(cc1)[C@@H]2COC(=S)N2 CB10902 [1,0,0,0,0,0|1,0,1]=3 16 B13R2.10 c1ccc(cc1)c2[nH]cc(n2)N AB60592 [1,0,0,0,0,0|2,0,1]=4 17 B13R2.10 c1ccc(cc1)c2[nH]nc(n2)N CB10214 [1,0,0,0,0,0|2,0,1]=4 18 B13R2.10 c1ccc(cc1)c2coc(n2)Br AB66370 [1,0,0,0,0,0|1,0,2]=4 19 B13R2.10 c1ccc(cc1)c2coc(n2)Cl AB64580 [1,0,0,0,0,0|1,0,2]=4 20 B13R2.10 c1ccc(cc1)c2coc(n2)N AB68293 [1,0,0,0,0,0|0,0,2]=3 21 B13R2.10 c1ccc(cc1)c2nc(on2)Cl AB55659 [1,0,0,0,0,0|2,0,1]=4 22 B13R2.13 c1cc(cc(c1)Cl)C2CCCN2 AB12044 [1,0,0,0,0,0|1,0,2]=4 23 B13R2.13 c1cc(cc(c1)Cl)C2CCNC2 AB49213 [1,0,0,0,0,0|2,0,1]=4 24 B13R2.13 c1cc(cc(c1)Cl)c2ncco2 MB05417 [1,0,0,0,0,0|2,0,1]=4 25 B15R2.14 Cc1cccc(c1)c2nc(on2)CN AB30554 [0,1,0,0,0,0|2,0,1]=4 26 B15R2.14 c1cc(cc(c1)Br)C2=NC(=NC2)CN AB57936 [0,1,0,0,0,0|1,1,1]=4 27 B15R2.14 c1cc(cc(c1)Br)c2nc(on2)CN AB49431 [0,1,0,0,0,0|1,1,1]=4 28 B15R2.14 c1cc(cc(c1)Cl)C2=NC(=NC2)C=O AB57987 [0,1,0,0,0,0|2,0,1]=4 29 B15R2.14 c1cc(cc(c1)Cl)C2=NC(=NC2)CN AB57938 [0,1,0,0,0,0|1,0,1]=3 30 B15R2.14 c1cc(cc(c1)Cl)c2cc(on2)CN AB27255 [0,1,0,0,0,0|2,0,1]=4 31 B15R2.14 c1cc(cc(c1)Cl)c2nc(co2)CN AB27453 [0,1,0,0,0,0|2,0,1]=4 32 B15R2.14 c1cc(cc(c1)Cl)c2nc(cs2)CN AB27113 [0,1,0,0,0,0|2,0,1]=4 33 B15R2.14 c1cc(cc(c1)Cl)c2nc(on2)C=O AB57270 [0,1,0,0,0,0|2,0,1]=4 34 B15R2.14 c1cc(cc(c1)Cl)c2nc(on2)CCl AB30596 [0,1,0,0,0,0|2,0,1]=4 35 B15R2.14 c1cc(cc(c1)Cl)c2nc(on2)CN AB56114 [0,1,0,0,0,0|1,0,1]=3 36 B15R2.14 c1cc(cc(c1)F)C2=NC(=NC2)CN AB57947 [0,1,0,0,0,0|1,1,1]=4 37 B15R2.14 c1cc(cc(c1)F)c2nc(on2)CN AB49428 [0,1,0,0,0,0|1,1,1]=4 38 B13R1.15 COC(=O)CCc1cccc(c1)Cl AB18124 [0,0,1,0,0,0|2,0,0]=3 39 B13R1.147 c1cc(cc(c1)Cl)C(CC(=O)O)N AB06139 [0,0,1,0,0,0|3,0,0]=4 40 B13R1.147 c1cc(cc(c1)Cl)[C@@H](CC(=O)O)N AB17741 [0,0,1,0,0,0|3,0,0]=4 41 B13R1.147 c1cc(cc(c1)Cl)[C@H](CC(=O)O)N AB17809 [0,0,1,0,0,0|3,0,0]=4 42 B15R2.28 c1cc(cc(c1)Cl)c2ccc(nc2)N AB30241 [0,0,0,0,0,1|1,0,2]=4 43 B12R1.226 c1cc(cc(c1)Cl)CCC(=O)O AB08448 [1,0,1,0,0,0|2,0,0]=4 44 B14R2.8 c1ccc(cc1)C2=NC(=NC2)CN AB28334 [1,1,0,0,0,0|1,0,1]=4 45 B14R2.8 c1ccc(cc1)C2=NC(=NC2)CN AB57926 [1,1,0,0,0,0|1,0,1]=4 46 B14R2.8 c1ccc(cc1)c2nc(on2)CN AB23013 [1,1,0,0,0,0|1,0,1]=4 47 B14R2.20 c1cc(ccc1c2coc(n2)N)F AB68301 [1,1,0,0,0,0|0,0,2]=4 48 B14R2.598 CC1=NC(=NC1c2ccccc2)N AB54799 [1,1,0,0,0,0|1,0,1]=4 49 B12R1.50 COC(=N)Cc1cccc(c1)Br AB60935 [0,0,1,0,1,0|0,1,1]=4 50 B12R1.50 COC(=N)Cc1cccc(c1)F AB60943 [0,0,1,0,1,0|0,1,1]=4 51 B12R1.50 COC(=O)Cc1cccc(c1)F CB10636 [0,0,1,0,1,0|1,1,0]=4 52 B12R1.50 Cc1cccc(c1)CC(=N)OC AB60932 [0,0,1,0,1,0|1,0,1]=4 53 B12R1.225 CC(c1cccc(c1)Cl)C(=O)O AB14392 [0,0,1,0,1,0|1,0,0]=3 54 B12R1.225 c1cc(cc(c1)Cl)C(C(=O)O)N AB02088 [0,0,1,0,1,0|2,0,0]=4 55 B12R1.225 c1cc(cc(c1)Cl)C(C(=O)O)N AB24563 [0,0,1,0,1,0|2,0,0]=4 56 B12R1.225 c1cc(cc(c1)Cl)[C@@H](C(=O)O)N AB16236 [0,0,1,0,1,0|2,0,0]=4 57 B12R2.22 c1ccc(cc1)C2CC(=O)C2 PB26115 [1,0,0,0,1,0|2,0,0]=4 58 B12R2.22 c1ccc(cc1)C2CC(=O)N2 AB10995 [1,0,0,0,1,0|1,0,1]=4 59 B12R2.22 c1ccc(cc1)C2CC(C2)N PB19234 [1,0,0,0,1,0|1,0,1]=4 60 B12R2.22 c1ccc(cc1)[C@H]2C[C@@H](C2)N PB38990 [1,0,0,0,1,0|1,0,1]=4 61 B12R2.22 c1ccc(cc1)[C@H]2C[C@H](C2)N PB38200 [1,0,0,0,1,0|1,0,1]=4 62 B12R2.2313 c1cc(cc(c1)Br)C2COC2 PB34845 [1,0,0,0,1,0|0,1,1]=4 63 B14R2.68 c1ccc(cc1)[C@@H]2COC(=O)CN2 MB01107 [1,0,0,0,0,1|1,0,1]=4 64 B14R2.68 c1ccc(cc1)[C@H]2COC(=O)CN2 AB05536 [1,0,0,0,0,1|1,0,1]=4