0 B6R0.4 C=CCCC(=O)C Z406376894 [1,0,0,0,0,0|2,0,1]=4 1 B6R0.4 C=CCNC(=O)C Z32064466 [1,0,0,0,0,0|3,0,0]=4 2 B6R0.4 C=CCNC(C)C Z607822478 [1,0,0,0,0,0|2,0,1]=4 3 B6R0.4 C=COCC(C)C Z916978390 [1,0,0,0,0,0|1,0,1]=3 4 B6R0.4 COCCC(=O)C Z362119682 [1,0,0,0,0,0|1,0,2]=4 5 B6R0.4 COCCN(C)C Z5121096537 [1,0,0,0,0,0|1,0,2]=4 6 B6R0.6 O=CCCCC=O Z57127529 [1,0,0,0,0,0|2,0,1]=4 7 B8R0.28 CC(=CCCC(=O)O)C Z1198162635 [0,1,0,0,0,0|1,0,0]=2 8 B8R0.28 CC(=CCNC(=N)N)C Z2687203850 [0,1,0,0,0,0|2,0,0]=3 9 B8R0.28 CC(=O)CCCC(=O)O Z147652222 [0,1,0,0,0,0|2,0,1]=4 10 B8R0.28 CC(=O)NCCC(=O)O Z56886421 [0,1,0,0,0,0|3,0,0]=4 11 B8R0.28 CC(=O)OCCC(=O)O Z216124300 [0,1,0,0,0,0|2,0,1]=4 12 B8R0.28 CC(C)CCCC(=O)O Z426022098 [0,1,0,0,0,0|1,0,2]=4 13 B8R0.28 CC(C)CCNC(=O)N Z56904577 [0,1,0,0,0,0|1,0,2]=4 14 B8R0.28 CC(C)NCCC(=O)O Z235348215 [0,1,0,0,0,0|2,0,1]=4 15 B8R0.28 CC(C)OCCC(=O)O Z316259248 [0,1,0,0,0,0|2,0,1]=4 16 B8R1.1 CC1=CC=C(N1)C=O Z1198176668 [0,0,0,1,0,0|2,0,1]=4 17 B8R1.1 CC1=CC=C(O1)C=O Z56899216 [0,0,0,1,0,0|2,0,1]=4 18 B8R1.1 CC1=CC=C(S1)C=O Z104478048 [0,0,0,1,0,0|2,0,1]=4 19 B8R1.1 CC1=CN=C(O1)C=O Z1198163538 [0,0,0,1,0,0|3,0,0]=4 20 B8R1.1 CC1=CN=C(S1)C=O Z1037606518 [0,0,0,1,0,0|3,0,0]=4 21 B8R1.1 CC1=CNC(=N1)C=O Z1198166211 [0,0,0,1,0,0|3,0,0]=4 22 B8R1.1 CC1=COC(=C1)C=O Z1255374618 [0,0,0,1,0,0|2,0,1]=4 23 B8R1.1 CC1=COC(=N1)C=O Z1198279988 [0,0,0,1,0,0|3,0,0]=4 24 B8R1.1 CC1=CSC(=C1)C=O Z1255423820 [0,0,0,1,0,0|2,0,1]=4 25 B8R1.1 CC1=CSC(=N1)C=O Z1037606426 [0,0,0,1,0,0|3,0,0]=4 26 B8R1.1 CC1CCC(C1)C=O Z1268606446 [0,0,0,1,0,0|1,0,2]=4 27 B8R1.4 CC1=CC(=O)CCC1 Z1042078386 [0,0,0,1,0,0|1,0,2]=4 28 B8R1.4 CC1=CC(=O)NC=C1 Z1065655286 [0,0,0,1,0,0|1,0,2]=4 29 B8R1.4 CC1=CC=CC(=O)N1 Z600389900 [0,0,0,1,0,0|2,0,1]=4 30 B8R1.4 CC1=NC(=O)NC=C1 Z1065584884 [0,0,0,1,0,0|2,0,1]=4 31 B8R1.4 CC1CC(=O)CCN1 Z2900188073 [0,0,0,1,0,0|2,0,1]=4 32 B8R1.4 CC1CC(=O)CCO1 Z1192341264 [0,0,0,1,0,0|2,0,1]=4 33 B8R1.4 CC1CCCC(=O)C1 Z56899044 [0,0,0,1,0,0|1,0,2]=4 34 B8R1.4 CC1CCNC(=O)C1 Z1203731366 [0,0,0,1,0,0|1,0,2]=4 35 B8R1.4 CN1CCCC(=O)C1 Z3034966673 [0,0,0,1,0,0|2,0,1]=4 36 B8R1.7 CC(=O)C1=COC=C1 Z1137167495 [0,0,0,1,0,0|2,0,1]=4 37 B8R1.7 CC(=O)C1=COC=N1 Z1255437997 [0,0,0,1,0,0|2,0,1]=4 38 B8R1.9 C[C@@H]1C[C@@H]1CCC=O Z4130582680 [0,0,0,1,0,0|1,0,2]=4 39 B8R1.19 CC1(CCCC1=O)C Z1238544226 [0,0,0,1,0,0|1,0,2]=4 40 B8R1.19 CC1(CCNC1=O)C Z1201628732 [0,0,0,1,0,0|1,0,2]=4 41 B8R1.19 CC1(CCOC1=O)C Z1255431712 [0,0,0,1,0,0|0,0,2]=3 42 B8R1.19 CC1(CCOC1=O)N Z1509069031 [0,0,0,1,0,0|1,0,2]=4 43 B8R1.19 CC1(NCCC1=O)C Z3235143689 [0,0,0,1,0,0|2,0,1]=4 44 B8R1.36 O=CCCCC1CC1 Z1511869605 [0,0,0,1,0,0|1,0,2]=4 45 B5R0.1 CC(=CC#N)C Z851014248 [2,0,0,0,0,0|1,0,1]=4 46 B5R0.1 CC(=CCN)C Z1827897919 [2,0,0,0,0,0|1,0,0]=3 47 B5R0.1 CC(=O)CCO Z906206900 [2,0,0,0,0,0|1,0,1]=4 48 B5R0.1 CC(C)CCO Z104473558 [2,0,0,0,0,0|0,0,2]=4 49 B5R0.1 CC(C)NC=O Z1201617634 [2,0,0,0,0,0|1,0,1]=4 50 B5R0.1 CN(C)CCO Z104473552 [2,0,0,0,0,0|1,0,1]=4 51 B5R0.2 C/C=C/CCN Z1268152372 [2,0,0,0,0,0|1,0,1]=4 52 B5R0.2 C/C=C/OCC Z281777810 [2,0,0,0,0,0|1,0,1]=4 53 B5R0.2 CCCCC=O Z104472992 [2,0,0,0,0,0|0,0,2]=4 54 B7R0.5 COCC(=O)C(C)C Z825742022 [1,1,0,0,0,0|0,0,2]=4 55 B7R0.6 CC(=O)CCC(=O)O Z104477318 [1,1,0,0,0,0|1,0,1]=4 56 B7R0.6 CC(=O)NCC(=O)O Z85886676 [1,1,0,0,0,0|2,0,0]=4 57 B7R0.6 CC(=O)OCC(=S)N Z411884132 [1,1,0,0,0,0|2,0,0]=4 58 B7R0.6 CC(C)CCC(=O)O Z56347204 [1,1,0,0,0,0|0,0,2]=4 59 B7R0.6 CC(C)CNC(=O)N Z56895708 [1,1,0,0,0,0|1,0,1]=4 60 B7R0.6 CC(C)NCC(=O)N Z56969693 [1,1,0,0,0,0|1,0,1]=4 61 B7R0.6 CC(C)NCC(=O)O Z359419672 [1,1,0,0,0,0|1,0,1]=4 62 B7R0.6 CC(C)OCC(=O)O Z316259244 [1,1,0,0,0,0|1,0,1]=4 63 B7R0.6 CC(C)SCC(=O)O Z214812600 [1,1,0,0,0,0|1,0,1]=4 64 B7R0.6 CN(C)CCC(=O)N Z168912842 [1,1,0,0,0,0|1,0,1]=4 65 B7R0.6 CN(C)CCC(=O)O Z168912830 [1,1,0,0,0,0|1,0,1]=4 66 B9R0.1 CN(C)CCOC(=O)CO Z3303138104 [0,2,0,0,0,0|1,0,1]=4 67 B9R0.55 CC(=NOCCC(=O)O)C Z1205494264 [0,2,0,0,0,0|2,0,0]=4 68 B9R0.55 CC(C)CCOCC(=O)O Z316259082 [0,2,0,0,0,0|0,0,2]=4 69 B9R0.7 CC(=CCC(N)C(=O)O)C Z317024968 [0,2,0,0,0,0|1,0,0]=3 70 B9R0.7 CC(=O)NCC(=O)N(C)C Z32014369 [0,2,0,0,0,0|2,0,0]=4 71 B9R0.7 CN(C)C(=O)CCC(=O)O Z270759422 [0,2,0,0,0,0|2,0,0]=4 72 B9R0.56 CC(=O)OCC[N+](C)(C)C Z600425176 [0,2,0,0,0,0|1,0,1]=4 73 B9R0.56 C[N+](C)(C)CCOC(=O)N Z1255415481 [0,2,0,0,0,0|1,0,1]=4 74 B7R1.2 CC1=COC(=N1)S Z1416179155 [1,0,0,1,0,0|1,1,0]=4 75 B7R1.2 CC1=CSC(=O)N1 Z57055803 [1,0,0,1,0,0|1,1,0]=4 76 B7R1.2 CC1=NNC(=O)C1 Z50145989 [1,0,0,1,0,0|2,0,0]=4 77 B7R1.2 CC1CC(=O)CN1 Z1509349081 [1,0,0,1,0,0|1,0,1]=4 78 B7R1.2 CC1CNC(=O)C1 Z959319678 [1,0,0,1,0,0|1,0,1]=4 79 B7R1.2 CN1CCC(=O)C1 Z415646350 [1,0,0,1,0,0|1,0,1]=4 80 B7R1.2 NC1=CCC(=O)N1 Z1203591710 [1,0,0,1,0,0|2,0,0]=4 81 B7R1.2 O=C1C=CC(=O)C1 Z1083219844 [1,0,0,1,0,0|1,0,1]=4 82 B7R1.2 O=C1COC(=O)N1 Z56762271 [1,0,0,1,0,0|2,0,0]=4 83 B7R1.3 CC1=CCCNC1 Z2143573194 [1,0,0,1,0,0|1,0,1]=4 84 B7R1.7 O=C/C=C/C1CC1 Z1318198760 [1,0,0,1,0,0|0,0,2]=4 85 B7R1.7 O=CCCC1CC1 Z1233208002 [1,0,0,1,0,0|0,0,2]=4 86 B7R1.10 C=C1CC(C1)C=O Z1486007751 [1,0,0,1,0,0|0,0,2]=4 87 B7R1.17 CC1(CCC1=O)C Z1416192672 [1,0,0,1,0,0|0,0,2]=4 88 B7R1.17 CC1(CNC1=O)C Z425427928 [1,0,0,1,0,0|1,0,1]=4 89 B7R1.23 CC1(CC1C=O)C Z1511745659 [1,0,0,1,0,0|0,0,2]=4 90 B7R1.23 CC1(C[C@@H]1C=O)C Z1511802856 [1,0,0,1,0,0|0,0,2]=4 91 B7R1.23 CC1(OC1C=O)C Z1511743636 [1,0,0,1,0,0|1,0,1]=4 92 B7R1.1 O=CC1CC=CC1 Z1504676872 [1,0,0,1,0,0|1,0,0]=3 93 B7R1.4 C=C1CCOC1=O Z1255438435 [1,0,0,1,0,0|0,0,2]=4 94 B7R1.4 CC1=C(ON=C1)N Z815305382 [1,0,0,1,0,0|2,0,0]=4 95 B7R1.4 CN1C=COC1=O Z2732441923 [1,0,0,1,0,0|1,0,1]=4 96 B9R1.132 CC1=CC=C(N1C)C=O Z1198220874 [0,1,0,1,0,0|1,0,1]=4 97 B9R1.132 CC1=CN=C(N1C)C=O Z1198279984 [0,1,0,1,0,0|2,0,0]=4 98 B9R1.132 CC1=CNC(=C1C)C=O Z1201617615 [0,1,0,1,0,0|2,0,0]=4 99 B9R1.132 CC1=CSC(=C1C)C=O Z1216838624 [0,1,0,1,0,0|2,0,0]=4 100 B9R1.40 CC1(NCCOC1=O)C Z406682076 [0,1,0,1,0,0|0,0,2]=4 101 B9R1.69 CN1CC(=O)NCC1=O Z1203730954 [0,1,0,1,0,0|2,0,0]=4