0 B17R2.25461 NC(CC1=CNC2=C1C=C(C=C2)Br)C(=O)O Z1255605966 [0,0,0,0,0,0|0,1,0]=1 1 B17R2.25461 N[C@@H](CC1=CNC2=C1C=C(C=C2)O)C(=O)O Z2044741046 [0,0,0,0,0,0|1,0,0]=1 2 B16R2.12 CC(CN1C=CC2=C1C=CC=C2)C(=O)O Z431542264 [1,0,0,0,0,0|3,0,0]=4 3 B16R2.12 CC(CN1C=NC2=C1C=CC=C2)C(=O)O Z420848232 [1,0,0,0,0,0|2,0,1]=4 4 B16R2.12 NC(CC1=CNC2=C1C=CC=C2)C(=O)O Z57248626 [1,0,0,0,0,0|0,0,0]=1 5 B16R2.12 NC(CC1=CNC2=C1C=CC=N2)C(=O)O Z1274773112 [1,0,0,0,0,0|1,0,0]=2 6 B16R2.12 NC(CC1=CNC2=C1C=NC=N2)C(=O)O Z2010009926 [1,0,0,0,0,0|2,0,0]=3 7 B16R2.12 NC(CC1=CNC2=C1N=CC=C2)C(=O)O Z2289799514 [1,0,0,0,0,0|1,0,0]=2 8 B16R2.12 NC(CC1=CNC2=C1N=CC=N2)C(=O)O Z1508941507 [1,0,0,0,0,0|2,0,0]=3 9 B16R2.12 NC(CC1=COC2=C1C=CC=C2)C(=O)O Z1416286798 [1,0,0,0,0,0|1,0,0]=2 10 B16R2.12 NC(CC1=CSC2=C1C=CC=C2)C(=O)O Z995104684 [1,0,0,0,0,0|1,0,0]=2 11 B16R2.12 NC(CN1C=CC2=C1N=CC=C2)C(=O)O Z360059800 [1,0,0,0,0,0|3,0,0]=4 12 B16R2.12 NC(CN1C=NC2=C1C=CC=C2)C(=O)O Z2289798387 [1,0,0,0,0,0|1,0,1]=3 13 B16R2.12 NC(CN1CCC2=C1C=CC=C2)C(=O)O Z4327136236 [1,0,0,0,0,0|2,0,1]=4 14 B16R2.12 N[C@@H](CC1=CNC2=C1C=CC=C2)C(=O)O Z756440056 [1,0,0,0,0,0|0,0,0]=1 15 B16R2.12 N[C@H](CC1=CNC2=C1C=CC=C2)C(=O)O Z256709618 [1,0,0,0,0,0|0,0,0]=1 16 B16R2.15551 CC1=CC2=C(C=C1)NC=C2CCC(=O)O Z1276694079 [1,0,0,0,0,0|1,0,0]=2 17 B16R2.15551 O=C(O)CCC1=CN=C2N1C=C(C=C2)Br Z5346930455 [1,0,0,0,0,0|1,1,1]=4 18 B16R2.15551 O=C(O)CCC1=CNC2=C1C=C(C=C2)Br Z1509618627 [1,0,0,0,0,0|0,1,0]=2 19 B16R2.15551 O=C(O)CCN1C=CC2=C1C=C(C=C2)Cl Z385445922 [1,0,0,0,0,0|2,1,0]=4 20 B18R2.314287 NC(CN1C=NC2=C1C=C(C(=C2)F)F)C(=O)O Z1263568771 [0,1,0,0,0,0|1,0,1]=3 21 B18R2.910661 COC(=O)C(N)CC1=CNC2=C1C=C(C=C2)Br Z1271802586 [0,1,0,0,0,0|0,1,0]=2 22 B15R1.8272 CC(CC(=O)C1=CC(=CC=C1)F)C(=O)O Z838957304 [1,0,1,0,0,0|2,0,0]=4 23 B15R1.8420 O=C(O)CCC(=O)C1=C(C=CC(=C1)F)F Z285137126 [1,0,1,0,0,0|2,0,0]=4 24 B15R2.4 NC(CO)CC1=CNC2=C1C=CC=C2 Z1069312128 [2,0,0,0,0,0|0,0,1]=3 25 B15R2.6 CC(=O)CCC1=CNC2=C1C=CC=C2 Z276142282 [2,0,0,0,0,0|1,0,0]=3 26 B15R2.6 NC(=O)CCC1=CNC2=C1C=CC=C2 Z33546345 [2,0,0,0,0,0|1,0,0]=3 27 B15R2.6 O=C(O)CCC1=CCC2=C1C=CC=C2 Z1262514880 [2,0,0,0,0,0|1,0,0]=3 28 B15R2.6 O=C(O)CCC1=CN=C2N1C=CC=C2 Z5336044044 [2,0,0,0,0,0|1,0,1]=4 29 B15R2.6 O=C(O)CCC1=CNC2=C1C=CC=C2 Z104482518 [2,0,0,0,0,0|0,0,0]=2 30 B15R2.6 O=C(O)CCC1=CSC2=C1C=CC=C2 Z995104750 [2,0,0,0,0,0|1,0,0]=3 31 B15R2.6 O=C(O)CCN1C=CC2=C1C=CC=C2 Z57316204 [2,0,0,0,0,0|2,0,0]=4 32 B15R2.9410 CC(N)CC1=CNC2=C1C=C(C=C2)F Z1198156503 [2,0,0,0,0,0|0,0,1]=3 33 B15R2.9410 CC(N)CC1=CNC2=C1C=C(C=C2)O Z1255489555 [2,0,0,0,0,0|1,0,1]=4 34 B17R2.7 COC(=O)C(N)CC1=CNC2=C1C=CC=C2 Z56921839 [1,1,0,0,0,0|0,0,0]=2 35 B17R2.7 COC(=O)C(N)CC1=CNC2=C1C=CC=N2 Z4918299399 [1,1,0,0,0,0|1,0,0]=3 36 B17R2.7 COC(=O)C(N)CC1=COC2=C1C=CC=C2 Z2786042022 [1,1,0,0,0,0|1,0,0]=3 37 B17R2.7 COC(=O)[C@H](N)CC1=CNC2=C1C=CC=C2 Z1536943518 [1,1,0,0,0,0|0,0,0]=2 38 B17R2.3450 NC(CC1=CNC2=C1C=CC(=C2)F)C(=O)O Z1332305266 [1,1,0,0,0,0|0,0,0]=2 39 B17R2.5003 N[C@@H](CC1C(=O)NC2=C1C=CC=C2)C(=O)O Z4154843098 [1,1,0,0,0,0|0,0,1]=3 40 B17R2.37147 CC1=C2NC=C(C2=CC=C1)CC(N)C(=O)O Z1508920449 [1,1,0,0,0,0|0,0,0]=2 41 B17R2.37147 CC1=C2OC=C(C2=CC=C1)CC(N)C(=O)O Z3717373756 [1,1,0,0,0,0|1,0,0]=3 42 B17R2.37552 NC(CC1=CNC2=C1C(=CC=C2)Br)C(=O)O Z1508591890 [1,1,0,0,0,0|0,0,0]=2 43 B17R2.39006 O=C(O)CCN1C=NC2=C1C=C(C(=C2)F)F Z287342854 [1,1,0,0,0,0|1,0,1]=4 44 B19R2.1140324 C=CC(=O)NC(C)CC1=CNC2=C1C=C(C=C2)F Z3490365619 [0,1,0,0,0,1|2,0,0]=4 45 B19R2.1014412 NC(CC1=CNC2=C1C=C(C=C2)[N+](=O)[O-])C(=O)O Z1508763642 [0,2,0,0,0,0|1,0,0]=3 46 B19R3.2455619 O=C(O)C1CC2=C(CN1)NC3=C2C=C(C=C3)O Z3241641023 [0,1,0,1,0,0|1,0,0]=3 47 B15R2.1255 O=C(O)C(=O)C1=CNC2=C1C=CC=C2 Z381360918 [1,0,0,0,1,0|1,0,1]=4 48 B17R2.16 NC(CCC1=CNC2=C1C=CC=C2)C(=O)O Z3681285360 [1,0,0,0,0,1|0,0,0]=2 49 B17R2.9167 NC(CC1=CC2=C(C=CC=C2)N=C1)C(=O)O Z3083125006 [1,0,0,0,0,1|0,0,1]=3 50 B17R2.9167 N[C@@H](CC1=CC2=C(C=CC=C2)C=C1)C(=O)O Z2695741431 [1,0,0,0,0,1|1,0,0]=3 51 B17R2.520754 CC(CC1=C2C=CC=CC2=CN=C1)C(=O)O Z2096659213 [1,0,0,0,0,1|1,0,1]=4 52 B17R2.520754 NC(CC1=C2C=CC=CC2=CC=N1)C(=O)O Z5620690588 [1,0,0,0,0,1|1,0,0]=3 53 B17R2.520754 N[C@@H](CC1=C2C=CC=CC2=CC=C1)C(=O)O Z995228046 [1,0,0,0,0,1|1,0,0]=3 54 B17R2.520754 O=C(O)C(O)CC1=C2C=CC=CC2=CC=C1 Z1269030425 [1,0,0,0,0,1|2,0,0]=4 55 B17R2.25462 CC(=O)NCCC1=CNC2=C1C=C(C=C2)F Z1220452176 [1,0,0,0,0,1|1,0,0]=3