0 B13R1.28 COCCNCCC1=CC=CC=C1 Z90501852 [1,0,0,0,0,0|2,0,0]=3 1 B13R1.28 N#CCCN/N=C/C1=CC=NC=C1 Z56793600 [1,0,0,0,0,0|2,0,1]=4 2 B13R1.28 NCCCOCCC1=CC=CC=C1 Z330915366 [1,0,0,0,0,0|1,0,2]=4 3 B13R1.28 OCCCOCCC1=CC=CC=C1 Z445138016 [1,0,0,0,0,0|2,0,1]=4 4 B13R1.44 C#CCNC(C)CC1=CC=CC=C1 Z1633398357 [1,0,0,0,0,0|0,0,1]=2 5 B13R1.44 CC(CC1=NC=CC=C1)NCCF Z2582971155 [1,0,0,0,0,0|2,0,0]=3 6 B13R1.44 CN(CCCN)CC1=CC=CC=C1 Z96092423 [1,0,0,0,0,0|1,0,2]=4 7 B13R1.44 CN(CCCO)CC1=CC=CC=C1 Z168889210 [1,0,0,0,0,0|2,0,1]=4 8 B13R1.44 NC(CCCO)CC1=CC=CC=C1 Z1198157366 [1,0,0,0,0,0|2,0,1]=4 9 B13R1.44 NCCNC(=O)CC1=CC=CC=C1 Z285226374 [1,0,0,0,0,0|1,0,2]=4 10 B15R1.128 CN(CCCC#N)CC1=CC=C(C=C1)Br Z143468370 [0,1,0,0,0,0|2,0,0]=3 11 B15R1.128 CN(CCCC#N)CC1=CC=C(C=C1)Cl Z143468372 [0,1,0,0,0,0|2,0,0]=3 12 B15R1.129 N#CCCCS(=O)CC1=CC=CC(=C1)Cl Z1728262132 [0,1,0,0,0,0|3,0,0]=4 13 B15R1.551 N#CCCN(N)C(=S)NC1=CC=CC=C1 Z56844980 [0,1,0,0,0,0|2,0,1]=4 14 B15R1.964 CC(C#N)CNC(=O)NC1=CC=CC=C1 Z994265050 [0,1,0,0,0,0|2,0,1]=4 15 B15R1.1409 C#CCCNC(C)CC1=C(C=CC=C1)F Z1763005057 [0,1,0,0,0,0|1,0,0]=2 16 B15R1.1409 CC1=C(C=CC=C1)CN(C)CCCC#N Z140054976 [0,1,0,0,0,0|2,0,0]=3 17 B15R1.1409 CN(CCCC#N)CC1=C(C=CC=C1)Br Z139493300 [0,1,0,0,0,0|2,0,0]=3 18 B15R1.1409 CN(CCCC#N)CC1=C(C=CC=C1)F Z143468352 [0,1,0,0,0,0|2,0,0]=3 19 B15R2.15 C#CC1CCN(C1)CC2=CC=CC=C2 Z1222425056 [0,0,0,1,0,0|3,0,0]=4 20 B15R2.15 N#CC1CCN(C1)CC2=CC=CC=C2 Z415654888 [0,0,0,1,0,0|2,0,0]=3 21 B15R2.1435 CC1=NC2=C(N1CCC#N)C=CC=C2 Z53116496 [0,0,0,1,0,0|1,0,1]=3 22 B15R2.1435 N#CCCN1C(=NC2=C1C=CC=C2)S Z56921452 [0,0,0,1,0,0|2,0,1]=4 23 B15R2.1435 N#CCCN1C(=O)OC2=C1C=CC=C2 Z54339677 [0,0,0,1,0,0|2,0,1]=4 24 B13R1.24 CC(OCCC#N)C1=CC=CC=C1 Z317037870 [0,0,0,0,1,0|1,0,0]=2 25 B13R1.24 CC(OCCCN)C1=CC=CC=C1 Z99601222 [0,0,0,0,1,0|1,0,2]=4 26 B13R1.24 CCCCNC(C)C1=CC=CC=C1 Z1250132346 [0,0,0,0,1,0|1,0,1]=3 27 B13R1.24 COCCNC(C)C1=CC=CC=C1 Z137543082 [0,0,0,0,1,0|2,0,0]=3 28 B13R1.24 N#CCCCC(N)C1=CC=CC=C1 Z2216303120 [0,0,0,0,1,0|2,0,0]=3 29 B13R1.24 N#CCCOC(=O)C1=CC=CC=C1 Z54336333 [0,0,0,0,1,0|2,0,1]=4 30 B12R1.8 C#CCNOCC1=CC=CC=C1 Z1251328742 [2,0,0,0,0,0|1,0,1]=4 31 B12R1.8 C=CCNCCC1=CC=CC=C1 Z90513756 [2,0,0,0,0,0|0,0,2]=4 32 B12R1.8 CCCNCCC1=CC=CC=C1 Z90518163 [2,0,0,0,0,0|0,0,1]=3 33 B12R1.8 CCCNCCC1=NC=CC=C1 Z53110779 [2,0,0,0,0,0|1,0,1]=4 34 B12R1.8 CNCCCCC1=CC=CC=C1 Z385446848 [2,0,0,0,0,0|2,0,0]=4 35 B12R1.8 CNCCNCC1=CC=CC=C1 Z425484772 [2,0,0,0,0,0|2,0,0]=4 36 B12R1.8 COCCNCC1=CC=CC=C1 Z56945503 [2,0,0,0,0,0|2,0,0]=4 37 B12R1.8 N#CCC/C=C/C1=CC=CC=C1 Z3300796892 [2,0,0,0,0,0|0,0,2]=4 38 B12R1.8 N#CCCCOC1=NC=CC=C1 Z360509256 [2,0,0,0,0,0|2,0,0]=4 39 B12R1.8 N#CCCNCC1=CC=NC=C1 Z56965984 [2,0,0,0,0,0|1,0,0]=3 40 B12R1.8 N#CCCNCC1=CN=CC=C1 Z53116802 [2,0,0,0,0,0|1,0,0]=3 41 B12R1.8 N#CCCNCC1=NC=CC=C1 Z53116751 [2,0,0,0,0,0|1,0,0]=3 42 B12R1.8 N#CCCOCC1=CC=CC=C1 Z317037710 [2,0,0,0,0,0|1,0,0]=3 43 B12R1.8 NCCCCCC1=CC=CC=C1 Z820118542 [2,0,0,0,0,0|0,0,2]=4 44 B12R1.8 NCCOCCC1=CC=CC=C1 Z1270210787 [2,0,0,0,0,0|1,0,1]=4 45 B12R1.8 OCCCNCC1=CC=CC=C1 Z57079457 [2,0,0,0,0,0|1,0,1]=4 46 B12R1.8 OCCNCCC1=CC=CC=C1 Z90504498 [2,0,0,0,0,0|1,0,0]=3 47 B12R1.32 C#CCN(C)CC1=CC=CC=C1 Z103710848 [2,0,0,0,0,0|1,0,1]=4 48 B12R1.32 CCCC(C)NC1=CC=CC=C1 Z334878280 [2,0,0,0,0,0|1,0,1]=4 49 B12R1.32 CCCC(N)CC1=CC=CC=C1 Z513795750 [2,0,0,0,0,0|1,0,1]=4 50 B12R1.32 CN(CC#N)CC1=CC=NC=C1 Z431971908 [2,0,0,0,0,0|2,0,0]=4 51 B12R1.32 CN(CCN)CC1=CC=CC=C1 Z285207092 [2,0,0,0,0,0|1,0,1]=4 52 B12R1.32 CN(CCO)CC1=CC=CC=C1 Z137706074 [2,0,0,0,0,0|2,0,0]=4 53 B12R1.32 NC(CCO)CC1=CC=CC=C1 Z1992316427 [2,0,0,0,0,0|2,0,0]=4 54 B14R1.123 COCCNCCCC1=CC=CC=C1 Z90501904 [1,1,0,0,0,0|2,0,0]=4 55 B14R1.123 COCCNCCOC1=CC=CC=C1 Z237732562 [1,1,0,0,0,0|2,0,0]=4 56 B14R1.123 N#CCCCOCCC1=CC=CC=C1 Z362801664 [1,1,0,0,0,0|1,0,0]=3 57 B14R1.123 NCCCNCCCC1=CC=CC=C1 Z600494152 [1,1,0,0,0,0|0,0,2]=4 58 B14R1.156 C#CCCC(O)CCC1=CC=CC=C1 Z1143224312 [1,1,0,0,0,0|2,0,0]=4 59 B14R1.156 N#CCNC(=O)CCC1=CC=CC=C1 Z600498292 [1,1,0,0,0,0|2,0,0]=4 60 B14R1.422 CN(C)CCNCCC1=CC=CC=C1 Z90512805 [1,1,0,0,0,0|2,0,0]=4 61 B14R1.422 O=C(O)CCNCCC1=CC=CC=C1 Z1270173016 [1,1,0,0,0,0|1,0,1]=4 62 B14R1.520 N#CCC(=O)NCCC1=CC=CC=C1 Z56820394 [1,1,0,0,0,0|0,0,1]=3 63 B14R1.33 C#CCCC(O)CC1=CC=C(C=C1)F Z1143224284 [1,1,0,0,0,0|2,0,0]=4 64 B14R1.33 CN(CCC#N)CC1=CC=C(C=C1)Cl Z53115816 [1,1,0,0,0,0|1,0,0]=3 65 B14R1.33 CN(CCC#N)CC1=CC=C(C=C1)F Z53112535 [1,1,0,0,0,0|1,0,0]=3 66 B14R1.34 C#CCNC(C)CC1=CC(=CC=C1)F Z1437035606 [1,1,0,0,0,0|0,0,1]=3 67 B14R1.34 CN(CCC#N)CC1=CC(=CC=C1)Cl Z53112484 [1,1,0,0,0,0|1,0,0]=3 68 B14R1.60 C#CCN(C)C(C)CC1=CC=CC=C1 Z778141970 [1,1,0,0,0,0|0,0,1]=3 69 B14R1.60 C#CCN(C)[C@H](C)CC1=CC=CC=C1 Z2768168341 [1,1,0,0,0,0|0,0,1]=3 70 B14R1.423 CC(CC1=CC=CC=C1)NCC(=O)O Z2235792090 [1,1,0,0,0,0|1,0,1]=4 71 B14R1.946 CN(CCC#N)CC1=C(C=CC=C1)F Z53115663 [1,1,0,0,0,0|1,0,0]=3 72 B14R1.29 CC(NC(=O)CC#N)C1=CC=CC=C1 Z56812708 [0,1,0,0,1,0|0,0,1]=3 73 B14R1.121 CCCCNC(CC)C1=CC=CC=C1 Z334909176 [0,1,0,0,1,0|1,0,1]=4 74 B14R1.163 CC(C#N)CNC(=O)C1=CC=CC=C1 Z994264696 [0,1,0,0,1,0|1,0,1]=4 75 B14R1.420 CC(C)CCNC(C)C1=CC=CC=C1 Z4927659068 [0,1,0,0,1,0|1,0,1]=4 76 B16R1.51 CN(CCCC#N)CCC1=CC=C(C=C1)F Z808424888 [0,1,0,0,0,1|2,0,0]=4 77 B16R1.51 N#CCCNC(=O)CSC1=CC=C(C=C1)Br Z18743733 [0,1,0,0,0,1|1,0,1]=4 78 B16R1.51 N#CCCNC(=O)CSC1=CC=C(C=C1)F Z16033980 [0,1,0,0,0,1|1,0,1]=4 79 B16R1.1343 CC(C#N)CNC(=N)NCC1=CC=CC=C1 Z1270648588 [0,1,0,0,0,1|1,0,1]=4 80 B16R1.1343 CC(CCC1=CC=CC=C1)NCC(O)CO Z56952982 [0,1,0,0,0,1|1,0,1]=4 81 B16R1.1516 CC(SCC1=CC=CC=C1)C(=O)NCC#N Z979002508 [0,1,0,0,0,1|2,0,0]=4 82 B16R1.1696 N#CCCNC(=O)CSC1=C(C=CC=C1)Br Z151868960 [0,1,0,0,0,1|1,0,1]=4 83 B16R1.1696 N#CCCNC(=O)CSC1=C(C=CC=C1)Cl Z18458781 [0,1,0,0,0,1|1,0,1]=4 84 B16R1.1696 N#CCCNC(=O)CSC1=C(C=CC=C1)F Z18097770 [0,1,0,0,0,1|1,0,1]=4 85 B16R1.55 N#CCCCNC(=O)CC1=CC=CC(=C1)O Z994256752 [0,2,0,0,0,0|1,0,1]=4 86 B16R1.4621 N#CCCCNC(=O)CC1=C(C=CC=C1)Cl Z994256992 [0,2,0,0,0,0|1,0,1]=4 87 B16R1.1701 C=CCCNC(C)C(C)(C)C1=CC=CC=C1 Z1589459286 [0,2,0,0,0,0|1,0,1]=4 88 B16R1.2925 CCC(O)CNC(C)C(C)C1=CC=CC=C1 Z1666219927 [0,2,0,0,0,0|1,0,1]=4 89 B16R1.2925 CC[C@@H](O)CNC(C)C(C)C1=CC=CC=C1 Z1666221083 [0,2,0,0,0,0|1,0,1]=4 90 B16R1.658 CC(CC1=CC=C(C=C1)Cl)N(C)CCC#N Z1234000574 [0,2,0,0,0,0|0,0,0]=2 91 B16R1.658 CN(CCC#N)C(=O)CC1=CC=C(C=C1)F Z68157513 [0,2,0,0,0,0|1,0,1]=4 92 B16R1.658 CN(CCC#N)C(=O)CC1=CC=C(C=C1)O Z135446918 [0,2,0,0,0,0|1,0,1]=4 93 B16R1.7393 CN(CCCC#N)CC1=CC(=C(C=C1)Cl)F Z1542792039 [0,2,0,0,0,0|2,0,0]=4 94 B16R1.659 CC(CC1=CC(=CC=C1)F)C(=O)NCC#N Z981012654 [0,2,0,0,0,0|2,0,0]=4 95 B16R1.7389 CN(CCCC#N)CC1=CC(=CC=C1)C#N Z642603004 [0,2,0,0,0,0|2,0,0]=4 96 B16R1.7458 CC(C#N)CNC(=O)CC1=C(C=CC=C1)O Z1331584952 [0,2,0,0,0,0|1,0,1]=4 97 B16R1.1759 N#CCCNC(CC1=CC=CC=C1)C(=O)O Z57044265 [0,2,0,0,0,0|0,0,1]=3 98 B16R1.3379 NC(=O)CCN[C@H](CO)CC1=CC=CC=C1 Z2444879464 [0,2,0,0,0,0|0,0,2]=4 99 B16R1.7414 CC1=C(C=CC=C1)CC(C)NCCN(C)C Z1832176323 [0,2,0,0,0,0|2,0,0]=4 100 B14R2.3 N#CCCN1C=CC2=C1C=CC=C2 Z56968850 [1,0,0,1,0,0|0,0,2]=4 101 B14R2.3 N#CCCN1C=NC2=C1C=CC=C2 Z53116462 [1,0,0,1,0,0|1,0,1]=4 102 B14R2.3 N#CCCN1N=NC2=C1C=CC=C2 Z91644832 [1,0,0,1,0,0|2,0,0]=4 103 B14R2.3 NCCCN1CCC2=C1C=CC=C2 Z271005912 [1,0,0,1,0,0|0,0,2]=4 104 B14R2.6 C1=CC=C(C=C1)CC2CCCCN2 Z336080118 [1,0,0,1,0,0|1,0,1]=4 105 B14R2.6 C1=CC=C(C=C1)CC2COCCN2 Z1346385428 [1,0,0,1,0,0|2,0,0]=4 106 B14R2.14 N#C[C@@H]1CNC[C@H]1C2=CC=CC=C2 Z2193456749 [1,0,0,1,0,0|0,0,0]=2 107 B14R2.14 OC[C@@H]1CNC[C@H]1C2=CC=CC=C2 Z3626609917 [1,0,0,1,0,0|1,0,1]=4 108 B14R2.24 CC1CCNCC1C2=CC=CC=C2 Z2803578072 [1,0,0,1,0,0|1,0,1]=4 109 B14R2.24 CN1CCNCC1C2=CC=CC=C2 Z3234812034 [1,0,0,1,0,0|2,0,0]=4 110 B14R2.24 C[C@@H]1CCNC[C@@H]1C2=CC=CC=C2 Z2831446470 [1,0,0,1,0,0|1,0,1]=4 111 B14R2.24 NC1CCNCC1C2=CC=CC=C2 Z4510822484 [1,0,0,1,0,0|0,0,2]=4 112 B14R2.30 O[C@@H]1CCN[C@@H]1CC2=CC=CC=C2 Z4966451600 [1,0,0,1,0,0|1,0,1]=4 113 B14R2.1253 C1=CC=C(C=C1)C2CCCCNC2 Z2310707785 [1,0,0,1,0,0|1,0,1]=4 114 B14R2.1253 C1=CC=C(C=C1)C2CNCCCO2 Z425722882 [1,0,0,1,0,0|1,0,1]=4 115 B14R2.2014 COC1CNCCC2=C1C=CC=C2 Z3716581996 [1,0,0,1,0,0|2,0,0]=4 116 B14R2.7150 CCCC1NCCC2=C1C=CC=C2 Z979717940 [1,0,0,1,0,0|1,0,1]=4 117 B14R2.7150 N#CCN1CCCC2=C1C=CC=C2 Z169225618 [1,0,0,1,0,0|2,0,0]=4 118 B14R2.19 NC1CCC(C1)CC2=CC=CC=C2 Z1233210256 [1,0,0,1,0,0|0,0,2]=4 119 B14R2.67 CCCNC1CC2=C(C1)C=CC=C2 Z3013892273 [1,0,0,1,0,0|0,0,1]=3 120 B14R2.90 NCC1CC(C1)CC2=CC=CC=C2 Z5145052097 [1,0,0,1,0,0|0,0,2]=4 121 B14R2.411 CC1(CCCN1)CC2=CC=CC=C2 Z1704732682 [1,0,0,1,0,0|0,0,1]=3 122 B14R2.517 CC1=NC2=C(N1CC#N)C=CC=C2 Z53833322 [1,0,0,1,0,0|1,0,1]=4 123 B14R2.21 CN1CCNC(C1)C2=CC=CC=C2 Z104508454 [0,0,0,1,1,0|2,0,0]=4 124 B14R2.21 O[C@@H]1CCN[C@@H](C1)C2=CC=CC=C2 Z3334408669 [0,0,0,1,1,0|1,0,1]=4 125 B14R2.792 CC(NCC1CC1)C2=CC=CC=C2 Z992422550 [0,0,0,1,1,0|1,0,1]=4 126 B14R2.1131 CN1CCC(C2=C1C=CC=C2)C#N Z445746198 [0,0,0,1,1,0|2,0,0]=4 127 B16R2.23 N#CC1CN(CCO1)CC2=CC=CC=C2 Z875114164 [0,1,0,1,0,0|2,0,0]=4 128 B16R2.2938 CC1CN(C1C2=CC=CC=C2)CCC#N Z1318103496 [0,1,0,1,0,0|0,0,0]=2 129 B16R2.2938 COCCN1CC(C1C2=CC=CC=C2)C Z1318103605 [0,1,0,1,0,0|2,0,0]=4 130 B16R2.2209 CC(C1=CC=CC=C1)C2CCCCCN2 Z1947438990 [0,1,0,1,0,0|1,0,1]=4 131 B16R2.6780 C[C@@H]([C@H](O)C1=CC=CC=C1)N2CCCC2 Z1509470378 [0,1,0,1,0,0|1,0,1]=4 132 B16R2.2400 N#CC1CC(=O)N(C1)CC2=CC=CC=C2 Z1209395206 [0,1,0,1,0,0|2,0,0]=4 133 B16R2.2410 CN1C(=O)C[C@@H]([C@H]1C2=CC=CC=C2)C#N Z4443065976 [0,1,0,1,0,0|2,0,0]=4 134 B16R2.112 N#CCCN1C(=NC2=C1C=CC=C2)CO Z53111362 [0,1,0,1,0,0|1,0,1]=4 135 B16R3.1722 C1=CC2=C(C=C1)C3OCCCNC3C2 Z425722922 [0,0,0,2,0,0|1,0,1]=4 136 B16R3.1722 C1=CC2=C(C=C1)N3CCCNCC3C2 Z1262565062 [0,0,0,2,0,0|0,0,2]=4 137 B12R1.30 CCCNC(C)C1=CC=CC=C1 Z57397067 [1,0,0,0,1,0|0,0,1]=3 138 B12R1.30 C[C@H](NCCO)C1=CC=CC=C1 Z1079131628 [1,0,0,0,1,0|1,0,0]=3 139 B12R1.30 N#CCCC(=O)C1=CC=CC=C1 Z168884010 [1,0,0,0,1,0|1,0,1]=4 140 B12R1.30 N#CCCC(N)C1=CC=CC=C1 Z1492796961 [1,0,0,0,1,0|1,0,0]=3 141 B12R1.53 CN(CCC#N)CC1=CC=CS1 Z53115357 [1,0,0,0,1,0|2,0,0]=4 142 B12R1.53 CN(CCC#N)CC1=CSC=C1 Z92746961 [1,0,0,0,1,0|2,0,0]=4