0 B18R3.12875 C1=CC2=C(C=C1)NC(=C2)CN3CCNCC3 Z991556256 [0,0,0,0,0,0|3,0,1]=4 1 B18R3.12875 C1=CC2=C(C=C1)NC(=N2)CC3CCNCC3 Z2146515277 [0,0,0,0,0,0|4,0,0]=4 2 B18R3.12875 C1=CC2=C(C=C1)NC(=N2)SC3CCCCC3 Z826561556 [0,0,0,0,0,0|3,0,0]=3 3 B18R3.12875 C1=CC2=C(C=C1)OC(=C2)CN3CCCCC3 Z204003234 [0,0,0,0,0,0|3,1,0]=4 4 B18R3.12875 C1=CC2=C(C=C1)OC(=N2)CN3CCCCC3 Z103698910 [0,0,0,0,0,0|2,1,0]=3 5 B18R3.12875 C1=CC2=C(C=C1)OC(=N2)NC3CCOCC3 Z646393492 [0,0,0,0,0,0|2,1,0]=3 6 B18R3.12875 C1=CC2=C(C=C1)SC(=N2)CN3CCCCC3 Z104557928 [0,0,0,0,0,0|2,0,0]=2 7 B18R3.12875 C1=CC2=C(C=C1)SC(=N2)CN3CCNCC3 Z56347552 [0,0,0,0,0,0|2,0,0]=2 8 B18R3.12875 C1=CC2=C(C=C1)SC(=N2)CN3CCOCC3 Z54748091 [0,0,0,0,0,0|1,0,0]=1 9 B18R3.12875 C1=CC2=C(C=C1)SC(=N2)NC3CCCCC3 Z55176260 [0,0,0,0,0,0|3,0,0]=3 10 B18R3.12875 C1=CC2=C(C=C1)SC(=N2)SN3CCOCC3 Z56821717 [0,0,0,0,0,0|0,0,0]=0 11 B18R3.12875 C1=CC2=NC(=CN2C=C1)CN3CCNCC3 Z147340938 [0,0,0,0,0,0|4,0,0]=4 12 B19R3.182 ClC1=C(SC2=C1C=CC=C2)CN3CCNCC3 Z172492288 [0,1,0,0,0,0|3,0,0]=4 13 B19R3.8304 CC1=CC=CC2=NC(=CN12)CN3CCOCC3 Z641492442 [0,1,0,0,0,0|3,0,0]=4 14 B19R3.8304 FC1=C2N=C(NC2=CC=C1)CN3CCNCC3 Z2147077450 [0,1,0,0,0,0|3,0,0]=4 15 B19R3.8304 FC1=C2N=C(NC2=CC=C1)CN3CCSCC3 Z1119762134 [0,1,0,0,0,0|2,1,0]=4 16 B19R3.54463 CC1CCCN(C1)CC2=NC3=C(O2)C=CC=C3 Z103716832 [0,1,0,0,0,0|2,1,0]=4 17 B19R3.54463 CC1CCCN(C1)CC2=NC3=C(S2)C=CC=C3 Z55001651 [0,1,0,0,0,0|2,0,0]=3 18 B19R3.54463 OC1CCCN(C1)CC2=NC3=C(O2)C=CC=C3 Z103738586 [0,1,0,0,0,0|2,1,0]=4 19 B19R3.54463 OC1CCCN(C1)CC2=NC3=C(S2)C=CC=C3 Z54749354 [0,1,0,0,0,0|2,0,0]=3 20 B19R3.88146 BrC1=CN2C=C(N=C2C=C1)CN3CCOCC3 Z641772578 [0,1,0,0,0,0|3,0,0]=4 21 B19R3.88146 ClC1=CC2=C(C=C1)N=C(N2)SC3CCOCC3 Z1631878819 [0,1,0,0,0,0|2,0,0]=3 22 B19R3.88146 ClC1=CC2=C(C=C1)OC(=N2)SC3CCOCC3 Z1715479816 [0,1,0,0,0,0|1,1,0]=3 23 B19R3.88146 ClC1=CN2C=C(N=C2C=C1)CN3CCOCC3 Z104651906 [0,1,0,0,0,0|3,0,0]=4 24 B19R3.88146 NC1=CC2=C(C=C1)N=C(N2)CN3CCOCC3 Z415697752 [0,1,0,0,0,0|2,0,0]=3 25 B19R3.171030 CC1CCCCN1CC2=NC3=C(O2)C=CC=C3 Z103745176 [0,1,0,0,0,0|2,1,0]=4 26 B19R3.171030 CC1COCCN1CC2=CN3C=CC=CC3=N2 Z643935880 [0,1,0,0,0,0|3,0,0]=4 27 B19R3.241821 CC1CCN(CC1)CC2=NC3=C(O2)C=CC=C3 Z103734194 [0,1,0,0,0,0|2,1,0]=4 28 B19R3.241821 OC1CCN(CC1)CC2=NC3=C(S2)C=CC=C3 Z54508295 [0,1,0,0,0,0|2,0,0]=3 29 B19R3.1799922 CC(C1=NC2=C(S1)C=CC=C2)N3CCNCC3 Z90661314 [0,1,0,0,0,0|2,0,0]=3 30 B19R3.1799922 O=C(C1=CC2=C(N1)C=CC=C2)N3CCOCC3 Z54844453 [0,1,0,0,0,0|2,0,1]=4 31 B19R3.1799922 O=C(C1=CC2=C(O1)C=CC=C2)N3CCOCC3 Z31721416 [0,1,0,0,0,0|2,1,0]=4 32 B19R3.1799922 O=C(C1=CC2=C(S1)C=CC=C2)N3CCNCC3 Z1455758522 [0,1,0,0,0,0|3,0,0]=4 33 B19R3.7620222 C[N+]1(CCOCC1)CC2=NC3=C(N2)C=CC=C3 Z56772405 [0,1,0,0,0,0|2,0,1]=4 34 B17R2.143 O=C(CN1CCOCC1)NC2=CC=CC=C2 Z46180172 [0,0,1,0,0,0|1,1,1]=4 35 B17R2.2069 COCCN(C)CC1=NC2=C(S1)C=CC=C2 Z169113436 [0,0,1,0,0,0|1,0,0]=2 36 B17R2.2569 CCCCCCNC1=NC2=C(S1)C=CC=C2 Z56827488 [0,0,1,0,0,0|3,0,0]=4 37 B17R2.2569 CCOCCCNC1=NC2=C(S1)N=CC=C2 Z168882622 [0,0,1,0,0,0|3,0,0]=4 38 B17R3.8708 C1=CC2=C(C=C1)NC(=C2)N3CCNCC3 Z2235810227 [0,0,0,0,1,0|2,0,1]=4 39 B17R3.8708 C1=CC2=C(C=C1)NC(=N2)C3CCCCC3 Z50129880 [0,0,0,0,1,0|3,0,0]=4 40 B17R3.8708 C1=CC2=C(C=C1)NC(=N2)C3CCNCC3 Z220329114 [0,0,0,0,1,0|3,0,0]=4 41 B17R3.8708 C1=CC2=C(C=C1)NC(=N2)N3CCNCC3 Z1222331867 [0,0,0,0,1,0|2,0,0]=3 42 B17R3.8708 C1=CC2=C(C=C1)NC(=N2)N3CCOCC3 Z56855916 [0,0,0,0,1,0|1,0,0]=2 43 B17R3.8708 C1=CC2=C(C=C1)OC(=N2)C3CCNCC3 Z55928836 [0,0,0,0,1,0|2,1,0]=4 44 B17R3.8708 C1=CC2=C(C=C1)OC(=N2)N3CCNCC3 Z728813256 [0,0,0,0,1,0|1,1,0]=3 45 B17R3.8708 C1=CC2=C(C=C1)OC(=N2)N3CCOCC3 Z56615895 [0,0,0,0,1,0|0,1,0]=2 46 B17R3.8708 C1=CC2=C(C=C1)SC(=N2)C3CCCCN3 Z104378240 [0,0,0,0,1,0|3,0,0]=4 47 B17R3.8708 C1=CC2=C(C=C1)SC(=N2)C3CCCNC3 Z56990718 [0,0,0,0,1,0|3,0,0]=4 48 B17R3.8708 C1=CC2=C(C=C1)SC(=N2)C3CCNCC3 Z56347136 [0,0,0,0,1,0|2,0,0]=3 49 B17R3.8708 C1=CC2=C(C=C1)SC(=N2)N3CCNCC3 Z381357674 [0,0,0,0,1,0|1,0,0]=2 50 B17R3.8708 C1=CC2=C(C=C1)SC(=N2)N3CCOCC3 Z56767623 [0,0,0,0,1,0|0,0,0]=1 51 B17R3.8708 C1=CC2=C(N=C1)SC(=N2)N3CCNCC3 Z1021422344 [0,0,0,0,1,0|2,0,0]=3 52 B19R3.19255 C1=CC2=NC(=CN2C=C1)CSC3CCOCC3 Z1517559031 [0,0,0,0,0,1|3,0,0]=4 53 B16R2.2256 C1=CC=C(C=C1)SCCN2CCOCC2 Z57600778 [1,0,1,0,0,0|1,0,1]=4 54 B16R2.734 CCCC(C)NC1=NC2=C(S1)C=CC=C2 Z55177672 [1,0,1,0,0,0|2,0,0]=4 55 B16R2.2875 CCCCCSC1=NC2=C(N1)C=CC=C2 Z56917387 [1,0,1,0,0,0|2,0,0]=4 56 B16R2.2875 CCOCCSC1=NC2=C(N1)C=CC=C2 Z53833330 [1,0,1,0,0,0|1,0,0]=3 57 B16R2.2875 COCCCSC1=NC2=C(C1)C=CC=C2 Z1251381148 [1,0,1,0,0,0|2,0,0]=4 58 B16R2.409 CCC(CO)NC1=NC2=C(S1)C=CC=C2 Z86242283 [1,0,1,0,0,0|2,0,0]=4 59 B18R2.14666 COCC(=O)N(C)CC1=NC2=C(S1)C=CC=C2 Z102150532 [0,1,1,0,0,0|1,0,1]=4 60 B18R2.1897 CCOCC(O)CSC1=NC2=C(S1)C=CC=C2 Z1178481352 [0,1,1,0,0,0|1,0,0]=3 61 B18R3.30587 N[C@H]1CCN(C1)CC2=CC3=C(S2)C=CC=C3 Z4984540557 [0,1,0,0,1,0|2,0,0]=4 62 B18R3.32726 NC1=CC2=C(C=C1)OC(=N2)CN3CCCC3 Z1361974756 [0,1,0,0,1,0|1,1,0]=4 63 B18R3.1438207 O=C(C1=CC2=C(S1)C=CC=C2)N3CCCC3 Z87526858 [0,1,0,0,1,0|2,0,0]=4 64 B18R3.111 CN1C(=NC2=C1C=CC=C2)N3CCNCC3 Z56877216 [0,1,0,0,1,0|2,0,0]=4 65 B18R3.5893 BrC1=C2N=C(SC2=CC=C1)N3CCOCC3 Z2049692884 [0,1,0,0,1,0|0,0,0]=2 66 B18R3.5893 ClC1=C2SC(=NC2=NC=N1)N3CCOCC3 Z2181932389 [0,1,0,0,1,0|2,0,0]=4 67 B18R3.5893 O=C1NC=NC2=C1SC(=N2)N3CCOCC3 Z330902630 [0,1,0,0,1,0|2,0,0]=4 68 B18R3.30705 CN1CCN(CC1)C2=NC3=C(O2)C=CC=C3 Z56615713 [0,1,0,0,1,0|1,1,0]=4 69 B18R3.30705 NC1CCN(CC1)C2=NC3=C(N2)C=CC=C3 Z1222283862 [0,1,0,0,1,0|2,0,0]=4 70 B18R3.30705 O=S1CCN(CC1)C2=NC3=C(O2)C=CC=C3 Z1127124790 [0,1,0,0,1,0|0,2,0]=4 71 B18R3.30705 O=S1CCN(CC1)C2=NC3=C(S2)C=CC=C3 Z1127124793 [0,1,0,0,1,0|0,1,0]=3 72 B18R3.30705 OC1CCN(CC1)C2=NC3=C(O2)C=CC=C3 Z271338350 [0,1,0,0,1,0|1,1,0]=4 73 B18R3.30705 OC1CCN(CC1)C2=NC3=C(S2)C=CC=C3 Z86366537 [0,1,0,0,1,0|1,0,0]=3 74 B18R3.31677 CC1CN(CCO1)C2=NC3=C(O2)C=CC=C3 Z271647108 [0,1,0,0,1,0|0,1,0]=3 75 B18R3.31677 O=C1CN(CCN1)C2=NC3=C(S2)C=CC=C3 Z86351559 [0,1,0,0,1,0|1,0,1]=4 76 B18R3.31677 OC1CCCN(C1)C2=NC3=C(S2)C=CC=C3 Z86255081 [0,1,0,0,1,0|1,0,0]=3 77 B18R3.32722 CC1=CC2=C(C=C1)OC(=N2)N3CCNCC3 Z1138834041 [0,1,0,0,1,0|1,1,0]=4 78 B18R3.32722 CC1=CC2=C(C=C1)SC(=N2)C3CCNCC3 Z412037938 [0,1,0,0,1,0|2,0,0]=4 79 B18R3.32722 ClC1=CC2=C(C=C1)N=C(S2)N3CCNCC3 Z1954801047 [0,1,0,0,1,0|1,0,0]=3 80 B18R3.32722 ClC1=CC2=C(C=C1)SC(=N2)C3CCNCC3 Z2239077687 [0,1,0,0,1,0|2,0,0]=4 81 B18R3.32722 FC1=CC2=C(C=C1)SC(=N2)C3CCNCC3 Z412040766 [0,1,0,0,1,0|2,0,0]=4 82 B18R3.32722 NC1=CC2=C(C=C1)N=C(O2)N3CCOCC3 Z119989978 [0,1,0,0,1,0|0,1,0]=3 83 B18R3.32722 NC1=CC2=C(C=C1)N=C(S2)N3CCOCC3 Z57160355 [0,1,0,0,1,0|0,0,0]=2 84 B18R3.32722 NC1=CC2=C(C=C1)NC(=N2)N3CCOCC3 Z425799568 [0,1,0,0,1,0|1,0,0]=3 85 B18R3.3737338 CC1(CCNCC1)C2=NC3=C(S2)C=CC=C3 Z2044769837 [0,1,0,0,1,0|2,0,0]=4 86 B20R3.13449 NC1=C2C=CC=CC2=NC(=N1)CN3CCOCC3 Z166653146 [0,1,0,0,0,1|2,0,0]=4 87 B20R3.13449 O=C1NC(=NC2=C1C=CC=C2)CN3CCOCC3 Z44499001 [0,1,0,0,0,1|2,0,0]=4 88 B20R3.13449 SC1=C2C=CC=CC2=NC(=N1)CN3CCOCC3 Z203047674 [0,1,0,0,0,1|2,0,0]=4 89 B20R3.34875 O=C(C1=NC2=C(C=CC=C2)C=C1)N3CCOCC3 Z31721197 [0,1,0,0,0,1|2,0,0]=4 90 B20R3.34875 O=C(C1=NC2=C(C=CC=C2)N=C1)N3CCOCC3 Z73231037 [0,1,0,0,0,1|2,0,0]=4 91 B20R3.16119 O=C(CC1=NC2=C(N1)C=CC=C2)N3CCOCC3 Z56836233 [0,1,0,0,0,1|2,0,0]=4 92 B20R3.16119 O=C(NC1=NC2=C(S1)C=CC=C2)N3CCOCC3 Z230659346 [0,1,0,0,0,1|1,0,0]=3 93 B20R3.94169 NC1=CC2=C(C=C1)NC(=N2)CCN3CCOCC3 Z425820356 [0,1,0,0,0,1|2,0,0]=4 94 B20R3.94169 OC1=CC2=C(C=C1)N=C(O2)CSC3CCOCC3 Z1913730471 [0,1,0,0,0,1|1,1,0]=4 95 B20R3.248100 FC1=C2SC(=NC2=CC=C1)NCC3CCOCC3 Z2271547250 [0,1,0,0,0,1|2,0,0]=4 96 B20R3.331219 C/C(=N/N1CCOCC1)/C2=NC3=C(S2)C=CC=C3 Z232298124 [0,1,0,0,0,1|1,0,0]=3 97 B20R3.14686862 OC1(CCOCC1)CNC2=NC3=C(S2)C=CC=C3 Z1119710646 [0,1,0,0,0,1|2,0,0]=4 98 B20R3.2606 CCN1C(=NC2=C1C=CC=C2)CN3CCOCC3 Z274595184 [0,2,0,0,0,0|2,0,0]=4 99 B20R3.8734 CC1=C(SC2=C1C=CC=C2)C(=O)N3CCOCC3 Z114990296 [0,2,0,0,0,0|2,0,0]=4 100 B20R3.8734 O=C(C1=C(C2=C(S1)C=CC=C2)Cl)N3CCOCC3 Z28251578 [0,2,0,0,0,0|2,0,0]=4 101 B20R3.248087 O=C(C1=CC2=C(C=CC=C2S1)F)N3CCOCC3 Z28251167 [0,2,0,0,0,0|2,0,0]=4 102 B20R3.5147 CC1CN(CC(O1)C)CC2=CC3=C(S2)C=CC=C3 Z1473261597 [0,2,0,0,0,0|2,0,0]=4 103 B20R3.5147 CC1CN(CC(O1)C)CC2=NC3=C(S2)C=CC=C3 Z54747605 [0,2,0,0,0,0|1,0,0]=3 104 B20R3.6057 CC1CN(C(CO1)C)CC2=NC3=C(O2)C=CC=C3 Z354990966 [0,2,0,0,0,0|1,1,0]=4 105 B20R3.41528 NCC1CN(CCO1)CC2=NC3=C(S2)C=CC=C3 Z2466129899 [0,2,0,0,0,0|1,0,0]=3 106 B20R3.4835143 CC1CN(CCO1)C(=O)C2=CC3=C(S2)C=CC=C3 Z212853190 [0,2,0,0,0,0|2,0,0]=4 107 B20R3.94158 O=C(C1=CC2=C(S1)C=CC(=C2)F)N3CCOCC3 Z71411769 [0,2,0,0,0,0|2,0,0]=4 108 B20R3.522607 COC1=CC2=C(C=C1)N=C(S2)CN3CCNCC3 Z1331657532 [0,2,0,0,0,0|2,0,0]=4 109 B20R3.490571 OCC1CNCCN1CC2=NC3=C(S2)C=CC=C3 Z2832190934 [0,2,0,0,0,0|2,0,0]=4 110 B20R3.7090 COC1CCN(CC1)CC2=NC3=C(S2)C=CC=C3 Z203938662 [0,2,0,0,0,0|2,0,0]=4 111 B18R3.1440749 C1=CC2=C(C=C1)OC(=N2)N3CCOCCN3 Z2157424973 [0,0,1,1,0,0|1,1,0]=4 112 B18R3.2123 C1=CC2=C(C=C1)N=C(C=C2)N3CCOCC3 Z31211509 [0,0,1,1,0,0|2,0,0]=4 113 B18R3.2123 C1=CC2=C(C=C1)N=C(C=N2)N3CCOCC3 Z246168064 [0,0,1,1,0,0|2,0,0]=4 114 B16R2.88 Cl/C(=N/C1=CC=CC=C1)/N2CCOCC2 Z169993856 [0,0,1,0,1,0|1,0,0]=3 115 B16R2.88 N/C(=N/C1=CC=CC=C1)/N2CCCCC2 Z1267875532 [0,0,1,0,1,0|2,0,0]=4 116 B16R2.88 O=C(NC1=CC=CC=C1)N2CCOCC2 Z44590817 [0,0,1,0,1,0|0,1,1]=4 117 B16R2.88 O=C(OC1=CC=CC=C1)N2CCOCC2 Z31721808 [0,0,1,0,1,0|1,1,0]=4 118 B16R2.88 S=C(NC1=CC=CC=C1)N2CCOCC2 Z45801124 [0,0,1,0,1,0|0,0,2]=4 119 B16R3.5925 C1=CC2=C(C=C1)NC(=N2)C3CCOC3 Z802555318 [0,0,0,0,2,0|2,0,0]=4 120 B16R3.5925 C1=CC2=C(C=C1)OC(=N2)N3CCCC3 Z56615797 [0,0,0,0,2,0|0,1,0]=3 121 B16R3.5925 C1=CC2=C(C=C1)OC(=N2)N3CCSC3 Z1127122043 [0,0,0,0,2,0|0,2,0]=4 122 B16R3.5925 C1=CC2=C(C=C1)SC(=N2)C3CCCN3 Z56968544 [0,0,0,0,2,0|2,0,0]=4 123 B16R3.5925 C1=CC2=C(C=C1)SC(=N2)N3CCCO3 Z1661113906 [0,0,0,0,2,0|1,0,0]=3 124 B20R3.30190 C1=CC2=C(C=C1)N=CC(=C2)CSC3CCOCC3 Z1983243772 [0,0,0,0,0,2|2,0,0]=4 125 B20R3.30260 C1=CC2=C(C=C1)NC(=N2)CCSC3CCOCC3 Z2683007538 [0,0,0,0,0,2|2,0,0]=4 126 B20R3.30260 C1=CC2=C(C=C1)OC(=N2)NCCN3CCOCC3 Z271187350 [0,0,0,0,0,2|1,1,0]=4