0 B12R2.18 CC1c2ccccc2NC1=O A2Z00049804 [0,0,0,0,0,0|3,0,0]=3 1 B12R2.18 Cc1c(c2ccccc2[nH]1)Br A2Z00061785 [0,0,0,0,0,0|4,0,0]=4 2 B12R2.18 Cc1c(c2ccccc2[nH]1)I A2Z00061802 [0,0,0,0,0,0|4,0,0]=4 3 B12R2.18 Cc1cc2ccccc2n1C A2Z00049652 [0,0,0,0,0,0|4,0,0]=4 4 B12R2.18 Cn1c2ccccc2[nH]c1=O A2Z00085448 [0,0,0,0,0,0|2,0,0]=2 5 B11R2.1 Cn1ccc2c1cccn2 A2Z00096708 [1,0,0,0,0,0|2,0,0]=3 6 B11R2.1 c1cc2c(n[nH]c2nc1)N A2Z00009553 [1,0,0,0,0,0|3,0,0]=4 7 B11R2.1 c1ccc2c(c1)c(n[nH]2)O A2Z00061517 [1,0,0,0,0,0|3,0,0]=4 8 B11R2.10 c1cc2c([nH]c(=O)o2)nc1 A2Z00069818 [1,0,0,0,0,0|1,0,0]=2 9 B11R2.10 c1ccc2c(c1)[nH]c(n2)Cl A2Z00074312 [1,0,0,0,0,0|2,0,1]=4 10 B13R2.135 CCN1c2ccccc2CC1=O A2Z00074116 [0,1,0,0,0,0|3,0,0]=4 11 B13R2.135 CCn1c2ccccc2oc1=O A2Z00048030 [0,1,0,0,0,0|3,0,0]=4 12 B13R2.359 CC1(c2ccccc2NC1=O)C A2Z00048073 [0,1,0,0,0,0|3,0,0]=4 13 B13R2.3028 CC1c2cc(ccc2NC1=O)Br A2Z00048132 [0,1,0,0,0,0|3,0,0]=4 14 B13R2.3028 CC1c2cc(ccc2NC1=O)N A2Z00047978 [0,1,0,0,0,0|3,0,0]=4 15 B13R2.3028 Cn1c2cc(ccc2oc1=O)N A2Z00046406 [0,1,0,0,0,0|3,0,0]=4 16 B13R2.3028 c1cc2c(cc1Br)C(=O)C(=O)N2 A2Z00097333 [0,1,0,0,0,0|2,0,1]=4 17 B13R2.3028 c1cc2c(cc1Cl)C(=O)C(=O)N2 A2Z00030680 [0,1,0,0,0,0|2,0,1]=4 18 B13R2.3085 CN1c2ccccc2C(=O)C1=O A2Z00077108 [0,1,0,0,0,0|2,0,1]=4 19 B13R2.4825 c1cc2c(c(c1)Br)NC(=O)C2=O A2Z00094242 [0,1,0,0,0,0|2,0,1]=4 20 B13R2.5190 Cn1c2ccc(cc2oc1=O)N A2Z00046407 [0,1,0,0,0,0|3,0,0]=4 21 B11R1.36 CC(=O)C(c1ccccc1)O A2Z00049601 [0,0,1,0,0,0|3,0,0]=4 22 B11R1.40 c1ccc(cc1)NC(=O)CN A2Z00044283 [0,0,1,0,0,0|3,0,0]=4 23 B11R1.40 c1ccc(cc1)NC(=O)CO A2Z00068359 [0,0,1,0,0,0|2,0,0]=3 24 B13R2.32 CN1c2ccccc2CCC1=O A2Z00049373 [0,0,0,0,0,1|3,0,0]=4 25 B13R2.328 c1ccc2c(c1)c(=O)[nH]c(=O)[nH]2 A2Z00061300 [0,0,0,0,0,1|2,0,1]=4 26 B13R2.328 c1ccc2c(c1)c(cc(=O)[nH]2)O A2Z00061526 [0,0,0,0,0,1|2,0,0]=3 27 B13R2.369 CC1C(=O)Nc2ccccc2O1 A2Z00066930 [0,0,0,0,0,1|3,0,0]=4 28 B13R2.369 Cc1cc2ccccc2[nH]c1=O A2Z00094815 [0,0,0,0,0,1|3,0,0]=4 29 B13R2.369 c1ccc2c(c1)CC(C(=O)N2)N A2Z00094761 [0,0,0,0,0,1|3,0,0]=4 30 B10R1.61 c1cc(c(nc1)Cl)C(=O)O A2Z00050195 [1,0,1,0,0,0|2,0,0]=4 31 B10R1.61 c1cc(c(nc1)N)[N+](=O)[O-] A2Z00069021 [1,0,1,0,0,0|0,0,2]=4 32 B10R1.61 c1ccc(c(c1)C(=O)O)N A2Z00070269 [1,0,1,0,0,0|2,0,0]=4 33 B10R2.7 c1cc2c(cc[nH]2)nc1 A2Z00096241 [2,0,0,0,0,0|1,0,0]=3 34 B10R2.7 c1cc2cc[nH]c2nc1 A2Z00096086 [2,0,0,0,0,0|1,0,0]=3 35 B12R1.32 COCC(=O)Nc1ccccc1 A2Z00070375 [0,1,1,0,0,0|2,0,0]=4 36 B12R1.43 c1ccnc(c1)NC(=O)C(=O)O A2Z00047055 [0,1,1,0,0,0|1,0,0]=3 37 B12R1.49 Cc1ccc(cc1)NC(=O)CO A2Z00068361 [0,1,1,0,0,0|2,0,0]=4 38 B12R1.49 c1cc(ccc1NC(=O)CO)F A2Z00068363 [0,1,1,0,0,0|2,0,0]=4 39 B12R1.50 Cc1cccc(c1)NC(=O)CO A2Z00068360 [0,1,1,0,0,0|2,0,0]=4 40 B12R1.50 c1cc(cc(c1)Cl)NC(=O)CO A2Z00068364 [0,1,1,0,0,0|2,0,0]=4 41 B12R2.1 c1cc2c(c[nH]c2nc1)C=O A2Z00096098 [1,1,0,0,0,0|1,0,1]=4 42 B12R2.32 c1cc2c(cc([nH]2)C=O)nc1 A2Z00096231 [1,1,0,0,0,0|1,0,0]=3 43 B12R2.32 c1cc2c(cc([nH]2)CO)nc1 A2Z00096517 [1,1,0,0,0,0|1,0,1]=4 44 B12R2.202 c1cc(c2c(c1)[nH]c(=O)o2)N A2Z00046404 [1,1,0,0,0,0|2,0,0]=4 45 B12R2.202 c1cc(c2c(c1)oc(=O)[nH]2)N A2Z00070298 [1,1,0,0,0,0|2,0,0]=4 46 B12R2.202 c1cc2c(c(c1)Br)NC(=O)C2 A2Z00074262 [1,1,0,0,0,0|2,0,0]=4 47 B12R2.202 c1cc2c(c(c1)Cl)CC(=O)N2 A2Z00095173 [1,1,0,0,0,0|2,0,0]=4 48 B12R2.202 c1cc2c(c(c1)Cl)NC(=O)C2 A2Z00098390 [1,1,0,0,0,0|2,0,0]=4 49 B12R2.606 c1cc2c(cc1Br)CC(=O)N2 A2Z00094309 [1,1,0,0,0,0|2,0,0]=4 50 B12R2.606 c1cc2c(cc1N)CC(=O)N2 A2Z00095275 [1,1,0,0,0,0|2,0,0]=4 51 B12R2.606 c1cc2c(cc1N)[nH]c(=O)o2 A2Z00046405 [1,1,0,0,0,0|2,0,0]=4 52 B12R2.606 c1cc2c(cc1N)oc(=O)[nH]2 A2Z00094049 [1,1,0,0,0,0|2,0,0]=4 53 B14R2.517 c1ccc2c(c1)[nH]c(=O)n2CCN A2Z00047806 [0,2,0,0,0,0|2,0,0]=4 54 B14R2.4220 c1cc/2c(c(c1)Br)NC(=O)\C2=C/O A2Z00095531 [0,2,0,0,0,0|2,0,0]=4 55 B12R2.24 c1cc2c(nc1)NC(=O)CO2 A2Z00068733 [0,0,1,1,0,0|1,0,0]=3 56 B12R2.24 c1ccc2c(c1)NC(=O)CO2 A2Z00083158 [0,0,1,1,0,0|2,0,0]=4 57 B12R1.27 c1ccc(cc1)CNC(=O)CO A2Z00068365 [0,0,1,0,0,1|2,0,0]=4