0 B4R0.2 C=NCC#N Z425450894 [0,0,0,0,0,0|3,0,1]=4 1 B4R0.2 NC/C=C/Cl Z2941400887 [0,0,0,0,0,0|3,0,1]=4 2 B3R0.1 C=CCO Z104473976 [1,0,0,0,0,0|1,0,1]=3 3 B3R0.1 I/C=C/I Z2417817184 [1,0,0,0,0,0|2,0,0]=3 4 B3R0.1 N/C=N/O Z156964716 [1,0,0,0,0,0|3,0,0]=4 5 B5R0.1 C/C=C/C(=O)O Z104476026 [0,1,0,0,0,0|2,0,1]=4 6 B5R0.1 C=C(C)CCN Z1203582475 [0,1,0,0,0,0|2,0,1]=4 7 B5R0.1 C=CCC(C)N Z1269638561 [0,1,0,0,0,0|1,0,2]=4 8 B5R0.1 CCOC(=N)N Z1741973543 [0,1,0,0,0,0|1,0,2]=4 9 B5R0.1 CCOC(=O)N Z33546369 [0,1,0,0,0,0|1,0,2]=4 10 B5R0.1 N=C(N)NC=O Z1203578554 [0,1,0,0,0,0|3,0,0]=4 11 B5R0.1 O=C(O)/C=C/I Z2327124440 [0,1,0,0,0,0|3,0,0]=4 12 B5R0.2 C/C=C/CCN Z1268152372 [0,1,0,0,0,0|2,0,1]=4 13 B5R0.2 C/C=C/OCC Z281777810 [0,1,0,0,0,0|0,0,2]=3 14 B5R0.2 C=C/C=C/CN Z3270208113 [0,1,0,0,0,0|1,0,1]=3 15 B5R0.2 C=CCCC#N Z1219746591 [0,1,0,0,0,0|1,0,2]=4 16 B5R0.2 C=CCCCN Z993058434 [0,1,0,0,0,0|1,0,2]=4 17 B5R0.2 C=CCN=C=S Z104472178 [0,1,0,0,0,0|2,0,1]=4 18 B5R0.2 C=CCNCC Z2044769224 [0,1,0,0,0,0|1,0,2]=4 19 B5R0.3 C=CC(N)CO Z2146514374 [0,1,0,0,0,0|2,0,1]=4 20 B5R1.1 C1=CCNC1 Z2306624771 [0,0,0,1,0,0|1,0,2]=4 21 B5R1.1 C1=CNC=C1 Z104479036 [0,0,0,1,0,0|1,0,0]=2 22 B5R1.1 C1=CNC=N1 Z104472692 [0,0,0,1,0,0|2,0,0]=3 23 B5R1.1 C1=CNN=C1 Z104507728 [0,0,0,1,0,0|2,0,0]=3 24 B5R1.1 C1=CNN=N1 Z237528494 [0,0,0,1,0,0|3,0,0]=4 25 B5R1.1 C1=NN=CN1 Z104479156 [0,0,0,1,0,0|3,0,0]=4 26 B5R1.1 C1=NN=CS1 Z1198156558 [0,0,0,1,0,0|2,1,0]=4 27 B5R1.2 O=C1CCO1 Z1089877620 [0,0,0,1,0,0|1,0,2]=4 28 B4R0.1 C=C(Br)CN Z600439032 [1,1,0,0,0,0|1,0,1]=4 29 B4R0.1 C=C(Br)CO Z600440434 [1,1,0,0,0,0|1,0,1]=4 30 B4R0.1 C=CC(=C)C Z104474660 [1,1,0,0,0,0|0,0,0]=2 31 B4R0.1 C=CC(=O)O Z57127944 [1,1,0,0,0,0|1,0,0]=3 32 B4R0.1 C=CC(C)N Z1446855743 [1,1,0,0,0,0|0,0,2]=4 33 B4R0.1 CC(=O)C=O Z104495190 [1,1,0,0,0,0|1,0,1]=4 34 B4R0.1 COC(=N)N Z1741976783 [1,1,0,0,0,0|1,0,1]=4 35 B4R0.1 COC(=O)N Z104476722 [1,1,0,0,0,0|1,0,1]=4 36 B4R0.1 ClC=C(Cl)Cl Z104473870 [1,1,0,0,0,0|2,0,0]=4 37 B6R0.2 C=C(C)CC(=O)O Z295890066 [0,2,0,0,0,0|2,0,0]=4 38 B6R0.3 C=CC(N)C(=O)O Z3244810526 [0,2,0,0,0,0|2,0,0]=4 39 B6R0.4 C=CCCC(=O)C Z406376894 [0,2,0,0,0,0|1,0,1]=4 40 B6R0.4 C=CCCC(=O)O Z995028722 [0,2,0,0,0,0|1,0,1]=4 41 B6R0.4 C=CCNC(=O)C Z32064466 [0,2,0,0,0,0|1,0,1]=4 42 B6R0.4 C=CCNC(=O)N Z56904662 [0,2,0,0,0,0|2,0,0]=4 43 B6R0.4 C=CCNC(=S)N Z56911918 [0,2,0,0,0,0|2,0,0]=4 44 B6R0.4 C=COCC(C)C Z916978390 [0,2,0,0,0,0|0,0,2]=4 45 B6R0.6 C=C/C=C/CCN Z2786180930 [0,2,0,0,0,0|1,0,1]=4 46 B6R0.6 C=CCNCC=C Z104474454 [0,2,0,0,0,0|1,0,0]=3 47 B6R0.6 C=CCOCCN Z976678988 [0,2,0,0,0,0|0,0,2]=4 48 B6R0.6 C=CCSCC=C Z1208219429 [0,2,0,0,0,0|0,1,0]=3 49 B6R0.8 C=CS(=O)(=O)C=C Z362768182 [0,2,0,0,0,0|0,1,0]=3 50 B6R1.2 BrC1=CNC=N1 Z1213725191 [0,1,0,1,0,0|2,0,0]=4 51 B6R1.2 C=C1CNOC1 Z3037884222 [0,1,0,1,0,0|1,0,1]=4 52 B6R1.2 CC1=CC=CN1 Z594218440 [0,1,0,1,0,0|1,0,0]=3 53 B6R1.2 CC1=CC=CO1 Z104472456 [0,1,0,1,0,0|0,0,0]=2 54 B6R1.2 CC1=CN=CN1 Z1945707502 [0,1,0,1,0,0|1,0,1]=4 55 B6R1.2 CC1=CN=CO1 Z1198180653 [0,1,0,1,0,0|0,0,1]=3 56 B6R1.2 CC1=CNC=C1 Z1203730789 [0,1,0,1,0,0|1,0,0]=3 57 B6R1.2 CC1=CNN=C1 Z600419582 [0,1,0,1,0,0|2,0,0]=4 58 B6R1.2 CC1=COC=N1 Z1198313432 [0,1,0,1,0,0|1,0,0]=3 59 B6R1.2 CC1=NC=CN1 Z104494990 [0,1,0,1,0,0|1,0,1]=4 60 B6R1.2 CC1=NNC=C1 Z450469310 [0,1,0,1,0,0|1,0,1]=4 61 B6R1.2 CN1C=CC=C1 Z57127895 [0,1,0,1,0,0|1,0,0]=3 62 B6R1.2 CN1C=CC=N1 Z336081430 [0,1,0,1,0,0|2,0,0]=4 63 B6R1.2 CN1C=CN=C1 Z104506032 [0,1,0,1,0,0|1,0,1]=4 64 B6R1.2 ClC1=CNN=C1 Z275169786 [0,1,0,1,0,0|2,0,0]=4 65 B6R1.2 ClC1=NNC=C1 Z1255493581 [0,1,0,1,0,0|2,0,0]=4 66 B6R1.2 IC1=CNN=C1 Z1203162050 [0,1,0,1,0,0|2,0,0]=4 67 B6R1.2 NC1=CC=NO1 Z415654518 [0,1,0,1,0,0|1,0,0]=3 68 B6R1.2 NC1=CC=NS1 Z2568737642 [0,1,0,1,0,0|1,1,0]=4 69 B6R1.2 NC1=CNC=N1 Z3241270014 [0,1,0,1,0,0|2,0,0]=4 70 B6R1.2 NC1=CSC=C1 Z1962138158 [0,1,0,1,0,0|0,1,0]=3 71 B6R1.2 NC1=CSN=C1 Z2467685283 [0,1,0,1,0,0|1,1,0]=4 72 B6R1.2 NC1=NC=CN1 Z1262237195 [0,1,0,1,0,0|2,0,0]=4 73 B6R1.2 NC1=NC=CO1 Z939904646 [0,1,0,1,0,0|1,0,0]=3 74 B6R1.2 NC1=NC=CS1 Z104472798 [0,1,0,1,0,0|1,1,0]=4 75 B6R1.2 NC1=NN=CO1 Z277559304 [0,1,0,1,0,0|2,0,0]=4 76 B6R1.2 NC1=NNC=C1 Z240126818 [0,1,0,1,0,0|2,0,0]=4 77 B6R1.2 NC1=NON=C1 Z1203638167 [0,1,0,1,0,0|2,0,0]=4 78 B6R1.2 O=C1C=CCO1 Z1219048777 [0,1,0,1,0,0|0,0,1]=3 79 B6R1.2 O=C1C=CNN1 Z1198154338 [0,1,0,1,0,0|2,0,0]=4 80 B6R1.2 O=C1C=CSN1 Z1741980421 [0,1,0,1,0,0|1,1,0]=4 81 B6R1.2 O=C1NC=CN1 Z1198148260 [0,1,0,1,0,0|2,0,0]=4 82 B6R1.2 O=C1NC=CS1 Z445210514 [0,1,0,1,0,0|1,1,0]=4 83 B6R1.2 OC1=NOC=C1 Z1255501207 [0,1,0,1,0,0|1,0,0]=3 84 B6R1.2 ON1C=CC=N1 Z1198342489 [0,1,0,1,0,0|2,0,0]=4 85 B6R1.2 SC1=NC=CN1 Z1198723329 [0,1,0,1,0,0|2,0,0]=4 86 B6R1.1 C1=CC=CC=C1 Z57120059 [0,1,0,1,0,0|1,0,0]=3 87 B6R1.1 C1=CC=NC=C1 Z56899837 [0,1,0,1,0,0|1,0,0]=3 88 B6R1.1 C1=CCONC1 Z1486018651 [0,1,0,1,0,0|0,0,2]=4