0 B17R3.127913 C(CC1CC1)Nc2cc[n]c3cc[s]c32 Amb23684652 [0,0,0,0,0,0|3,0,0]=3 1 B18R3.1018401 CN(CCC1CC1)c2cc[n]c3cc[s]c23 Amb23755481 [0,1,0,0,0,0|3,0,0]=4 2 B16R2.11632 CCCCNCc1cccc2c1cc[nH]2 Amb2182612 [0,0,1,0,0,0|2,0,0]=3 3 B16R2.11632 COCCNCc1cccc2c1cc[nH]2 Amb1102684 [0,0,1,0,0,0|3,0,0]=4 4 B16R2.11632 COCCNCc1cccc2c1cc[nH]2 Amb15740700 [0,0,1,0,0,0|3,0,0]=4 5 B16R2.11632 OCCCCCc1cccc2cc[nH]c21 Amb24090480 [0,0,1,0,0,0|3,0,0]=4 6 B16R2.27401 CC(CNCc1cccc2c1cc[nH]2)C Amb2182614 [0,0,1,0,0,0|2,0,0]=3 7 B16R2.28197 CCOc1cccc(c1)CNCC2CC2 Amb15717950 [0,0,1,0,0,0|2,0,1]=4 8 B16R3.6443 C(NC1CC1)c2cc[n]c3[nH]c[n]c23 Amb25853129 [0,0,0,0,1,0|3,0,0]=4 9 B16R3.6443 C(NC1CC1)c2cccc3CCNc32 Amb25325566 [0,0,0,0,1,0|1,0,2]=4 10 B16R3.6443 C(NC1CC1)c2cccc3CCOc32 Amb24364530 [0,0,0,0,1,0|0,1,2]=4 11 B16R3.6443 C(NC1CC1)c2cccc3OCCc23 Amb23586285 [0,0,0,0,1,0|2,0,1]=4 12 B16R3.6443 C(NC1CC1)c2cccc3cc[nH]c23 Amb24098199 [0,0,0,0,1,0|1,0,0]=2 13 B16R3.6443 C(Nc1[n]ccc2cc[s]c21)C3CC3 Amb25686368 [0,0,0,0,1,0|1,0,0]=2 14 B16R3.6443 C(Nc1[n]ccc2occc21)C3CC3 Amb25849818 [0,0,0,0,1,0|3,0,0]=4 15 B16R3.6443 C(Nc1cc[n]c2[nH]ccc21)C3CC3 Amb25208438 [0,0,0,0,1,0|3,0,0]=4 16 B16R3.6443 C(Nc1cc[n]c2cc[s]c21)C3CC3 Amb23703620 [0,0,0,0,1,0|1,0,0]=2 17 B16R3.6443 C(Nc1cccc2N=[Se]=Nc12)C3CC3 Amb17748294 [0,0,0,0,1,0|3,0,0]=4 18 B16R3.6443 C(Nc1cccc2OCCc21)C3CC3 Amb25760375 [0,0,0,0,1,0|2,0,1]=4 19 B16R3.6443 C(Nc1cccc2[nH][n]cc21)C3CC3 Amb19059206 [0,0,0,0,1,0|3,0,0]=4 20 B16R3.6443 C(Nc1cccc2[nH]ccc21)C3CC3 Amb25684643 [0,0,0,0,1,0|2,0,0]=3 21 B16R3.6443 C(Nc1cccc2[n]cc[n]21)C3CC3 Amb25124647 [0,0,0,0,1,0|3,0,0]=4 22 B16R3.6443 C1OC1COc2cccc3[n]c[s]c23 Amb24091919 [0,0,0,0,1,0|3,0,0]=4 23 B16R3.6443 c1cc(CNC2CC2)c3c(c1)[nH]cc3 Amb2182618 [0,0,0,0,1,0|2,0,0]=3 24 B15R2.4278 C#CCCNc1cccc2cc[s]c21 Amb25814022 [1,0,1,0,0,0|0,0,2]=4 25 B15R2.4278 CC#CCNc1cccc2cc[s]c21 Amb25814005 [1,0,1,0,0,0|0,0,2]=4 26 B15R2.4278 CCCCCc1cccc2cc[nH]c21 Amb24067738 [1,0,1,0,0,0|1,0,0]=3 27 B15R2.4278 CCCCOc1cccc2cc[nH]c21 Amb24067706 [1,0,1,0,0,0|2,0,0]=4 28 B15R2.4278 CCCNCc1cccc2c1cc[nH]2 Amb2182613 [1,0,1,0,0,0|2,0,0]=4 29 B15R2.4278 CNCCNc1[n]ccc2cc[s]c21 Amb25797230 [1,0,1,0,0,0|2,0,0]=4 30 B15R2.4278 COCCNc1[n]ccc2cc[s]c21 Amb25135507 [1,0,1,0,0,0|2,0,0]=4 31 B15R2.4278 COCCNc1cccc2cc[s]c21 Amb24523745 [1,0,1,0,0,0|1,0,0]=3 32 B15R2.4278 CSCCNc1cc[n]c2cc[s]c21 Amb23764983 [1,0,1,0,0,0|2,0,0]=4 33 B15R2.4278 CSCCNc1cccc2cc[s]c12 Amb24523759 [1,0,1,0,0,0|1,0,0]=3 34 B15R2.4278 NCCCNc1cccc2cc[s]c21 Amb25165363 [1,0,1,0,0,0|1,0,0]=3 35 B15R2.4278 OCCCCc1cccc2cc[nH]c21 Amb24090386 [1,0,1,0,0,0|2,0,0]=4 36 B15R2.4278 OCCCNc1cccc2cc[s]c21 Amb24417320 [1,0,1,0,0,0|1,0,0]=3 37 B15R2.4278 OCCNCc1cccc2cc[nH]c21 Amb24095089 [1,0,1,0,0,0|2,0,0]=4 38 B17R2.10878 CCCCCNCc1cccc2c1cc[nH]2 Amb2182615 [0,1,1,0,0,0|2,0,0]=4 39 B17R2.10878 COCCCNCc1cccc2c1cc[nH]2 Amb2182639 [0,1,1,0,0,0|2,0,0]=4 40 B17R2.10878 OCCCNCCc1cccc2cc[nH]c21 Amb24082127 [0,1,1,0,0,0|2,0,0]=4 41 B17R2.44757 CC(CCNCc1cccc2c1cc[nH]2)C Amb2182644 [0,1,1,0,0,0|2,0,0]=4 42 B17R3.56297 Brc1c[n]c(NCC2CC2)c3[s]ccc31 Amb25719890 [0,1,0,0,1,0|1,0,0]=3 43 B17R3.483750 O=C(CC1CC1)c2cccc3cc[s]c32 Amb24661541 [0,1,0,0,1,0|0,0,1]=3 44 B19R3.425193 Brc1ccc(CNCC2CC2)c3ccccc31 Amb23556303 [0,1,0,0,0,1|1,0,0]=3 45 B19R3.678495 O=C(NCc1cccc2ccccc12)C3CC3 Amb23306252 [0,1,0,0,0,1|1,0,1]=4 46 B17R3.2637 BrC1CCCC1c2cccc3cc[s]c32 Amb25308978 [0,0,1,1,0,0|2,0,0]=4 47 B17R3.8707 C1CCCCC1c2cccc3cc[nH]c32 Amb24067712 [0,0,1,1,0,0|2,0,0]=4 48 B15R2.219 CSc1c(Cl)cccc1NCC2CC2 Amb25128775 [0,0,1,0,1,0|1,0,1]=4 49 B15R2.19753 CC(C)CNc1[n]ccc2cc[s]c21 Amb25038547 [0,0,1,0,1,0|1,0,0]=3 50 B15R2.19753 CC(C)CNc1cccc2cc[nH]c12 Amb24686030 [0,0,1,0,1,0|1,0,0]=3 51 B15R2.19753 CC(C)CNc1cccc2cc[s]c21 Amb25084023 [0,0,1,0,1,0|0,0,0]=2 52 B15R2.19753 CC(C)NCc1cccc2[nH]ccc21 Amb19649820 [0,0,1,0,1,0|2,0,0]=4 53 B15R2.19753 CC(C)NCc1cccc2cc[nH]c21 Amb24098200 [0,0,1,0,1,0|1,0,0]=3 54 B15R2.19753 CC(Cl)CCc1cccc2cc[s]c12 Amb25165368 [0,0,1,0,1,0|1,0,0]=3 55 B15R2.19753 CC(Cl)CNc1[n]ccc2cc[s]c21 Amb25139756 [0,0,1,0,1,0|2,0,0]=4 56 B15R2.19753 CC(N)CCc1cccc2cc[s]c12 Amb25165415 [0,0,1,0,1,0|1,0,0]=3 57 B15R2.19753 CC(N)CNc1[n]ccc2cc[s]c21 Amb25196706 [0,0,1,0,1,0|2,0,0]=4 58 B15R2.19753 CC(O)CCc1cccc2cc[s]c12 Amb25183460 [0,0,1,0,1,0|1,0,0]=3 59 B15R2.19753 CC(O)CNc1[n]ccc2cc[s]c21 Amb25235429 [0,0,1,0,1,0|2,0,0]=4 60 B15R2.19753 CC(O)CNc1cc[n]c2cc[s]c21 Amb24448580 [0,0,1,0,1,0|2,0,0]=4 61 B15R2.19753 CC(O)CNc1cccc2cc[s]c21 Amb25335671 [0,0,1,0,1,0|1,0,0]=3 62 B15R2.19753 CN(C)NCc1cccc2cc[nH]c21 Amb25354138 [0,0,1,0,1,0|2,0,0]=4 63 B15R2.19753 C[C@@H](O)CNc1[n]ccc2cc[s]c21 Amb25371377 [0,0,1,0,1,0|2,0,0]=4 64 B15R2.19753 C[C@@H](O)CNc1cc[n]c2cc[s]c21 Amb25837839 [0,0,1,0,1,0|2,0,0]=4 65 B15R2.19753 C[C@@H](O)CNc1cccc2cc[s]c21 Amb24523757 [0,0,1,0,1,0|1,0,0]=3 66 B15R2.19753 C[C@H](O)CNc1cc[n]c2cc[s]c21 Amb25144380 [0,0,1,0,1,0|2,0,0]=4 67 B15R2.19753 FC(F)CNc1cccc2cc[s]c21 Amb24523758 [0,0,1,0,1,0|2,0,0]=4 68 B15R3.4382 C1CC1Nc2[n]ccc3cc[s]c32 Amb24433184 [0,0,0,0,2,0|1,0,0]=3 69 B15R3.4382 C1CC1Nc2cc[n]c3cc[s]c32 Amb25136854 [0,0,0,0,2,0|1,0,0]=3 70 B17R2.148072 COCCNCc1cccc2c1cccc2 Amb13949011 [0,0,1,0,0,1|2,0,0]=4 71 B17R2.148072 NCCCNCc1cccc2ccccc21 Amb23595750 [0,0,1,0,0,1|2,0,0]=4 72 B17R2.148072 OCCCNCc1cccc2c1cccc2 Amb13949009 [0,0,1,0,0,1|2,0,0]=4 73 B19R3.22023 C(NCCc1cccc2ccccc12)C3CC3 Amb24787559 [0,0,0,0,0,2|1,0,0]=3 74 B19R3.19185 C(NCC1CCCO1)c2cccc3[nH]ccc23 Amb20224116 [0,0,0,0,0,2|2,0,0]=4 75 B19R3.19185 C1COC(C1)CNCc2cccc3c2cc[nH]3 Amb11014008 [0,0,0,0,0,2|2,0,0]=4 76 B19R3.19185 C1COC(C1)CNCc2cccc3c2cc[nH]3 Amb1102685 [0,0,0,0,0,2|2,0,0]=4 77 B19R3.1796376 C(OCCNc1cc[n]c2cc[s]c21)C3CC3 Amb23678498 [0,0,0,0,0,2|2,0,0]=4