0 B17R3.127913 c1cc(c2c(c1)OCC2)CNCC3CC3 AIFCHEM-5943675124 [0,0,0,0,0,0|2,0,1]=3 1 B17R3.127913 c1cc(c2ccoc2c1)CNCC3CC3 AIFCHEM-94565150261 [0,0,0,0,0,0|2,0,0]=2 2 B17R3.127913 c1cc(c2nccn2c1)CNCC3CC3 AIFCHEM-5959817552 [0,0,0,0,0,0|2,0,0]=2 3 B17R3.127913 c1cc(c2ncsc2c1)CNCC3CC3 AIFCHEM-94592469271 [0,0,0,0,0,0|2,0,0]=2 4 B17R3.127913 c1cc(c2nonc2c1)CNCC3CC3 AIFCHEM-94592471842 [0,0,0,0,0,0|3,0,0]=3 5 B17R3.127913 c1cc(c2nsnc2c1)CNCC3CC3 AIFCHEM-5959568510 [0,0,0,0,0,0|3,0,0]=3 6 B17R3.127913 c1cc(c2occc2c1)CNCC3CC3 AIFCHEM-94592475072 [0,0,0,0,0,0|0,1,0]=1 7 B17R3.127913 c1cc(c2sccc2c1)CNCC3CC3 AIFCHEM-94592468567 [0,0,0,0,0,0|0,0,0]=0 8 B18R3.4181 Cn1ncc2c1cccc2CNCC3CC3 AIFCHEM-5910102577 [0,1,0,0,0,0|3,0,0]=4 9 B18R3.6514 C[C@@H]1C[C@H]1CNCc2cccc3c2[nH]cc3 AIFCHEM-94599413680 [0,1,0,0,0,0|1,0,0]=2 10 B18R3.6514 C[C@@H]1C[C@H]1CNCc2cccc3c2ncs3 AIFCHEM-94599414129 [0,1,0,0,0,0|2,0,0]=3 11 B18R3.6514 C[C@@H]1C[C@H]1CNCc2cccc3c2non3 AIFCHEM-94599416700 [0,1,0,0,0,0|3,0,0]=4 12 B18R3.6514 C[C@@H]1C[C@H]1CNCc2cccc3c2nsn3 AIFCHEM-94599417633 [0,1,0,0,0,0|3,0,0]=4 13 B18R3.6514 C[C@@H]1C[C@H]1CNCc2cccn3c2ncc3 AIFCHEM-94599414613 [0,1,0,0,0,0|2,0,0]=3 14 B18R3.53833 Clc1ccc2c(c1CNCC3CC3)OCO2 AIFCHEM-5943665335 [0,1,0,0,0,0|1,1,1]=4 15 B18R3.240199 CN(Cc1cccc2c1OCO2)CC3CC3 AIFCHEM-5926434943 [0,1,0,0,0,0|1,1,1]=4 16 B18R3.240199 CN(Cc1cccc2c1non2)CC3CC3 AIFCHEM-5927036383 [0,1,0,0,0,0|3,0,0]=4 17 B18R3.240199 CN(Cc1cccc2c1nsn2)CC3CC3 AIFCHEM-94594893662 [0,1,0,0,0,0|3,0,0]=4 18 B18R3.429012 OC1(CC1)CNCc2cccc3c2non3 AIFCHEM-6416661785 [0,1,0,0,0,0|3,0,0]=4 19 B18R3.429012 OC1(CC1)CNCc2cccc3c2nsn3 AIFCHEM-6466002146 [0,1,0,0,0,0|3,0,0]=4 20 B18R3.429012 OC1(CC1)CNCc2cccc3c2occ3 AIFCHEM-6435858504 [0,1,0,0,0,0|0,1,0]=2 21 B18R3.429012 OC1(CC1)CNCc2cccc3c2scn3 AIFCHEM-6483560736 [0,1,0,0,0,0|1,0,0]=2 22 B18R3.899786 Brc1ccc(c2c1nsn2)CNCC3CC3 AIFCHEM-94592468805 [0,1,0,0,0,0|3,0,0]=4 23 B18R3.1018401 CC(NCC1CC1)c2cccc3c2CCC3 AIFCHEM-94592472218 [0,1,0,0,0,0|1,0,2]=4 24 B18R3.1018401 O=C(NCC1CC1)c2cccc3c2cco3 AIFCHEM-94592477939 [0,1,0,0,0,0|2,0,1]=4 25 B18R3.1018401 O=C(NCC1CC1)c2cccc3c2ocn3 AIFCHEM-5889122846 [0,1,0,0,0,0|1,1,1]=4 26 B18R3.1018401 O=C(NCC1CC1)c2ccnc3c2[nH]cc3 AIFCHEM-94592476081 [0,1,0,0,0,0|2,0,1]=4 27 B18R3.1018550 CC(NCc1cccc2c1cc[nH]2)C3CC3 AIFCHEM-6113494915 [0,1,0,0,0,0|2,0,0]=3 28 B18R3.1018550 CC(NCc1cccc2c1cco2)C3CC3 AIFCHEM-94565152601 [0,1,0,0,0,0|2,0,0]=3 29 B18R3.1018550 CC(NCc1cccc2c1non2)C3CC3 AIFCHEM-6114962906 [0,1,0,0,0,0|3,0,0]=4 30 B18R3.1018550 CC(NCc1cccc2c1nsn2)C3CC3 AIFCHEM-6120238583 [0,1,0,0,0,0|3,0,0]=4 31 B18R3.1018550 C[C@@H](NCc1cccc2c1cc[nH]2)C3CC3 AIFCHEM-5665799559 [0,1,0,0,0,0|2,0,0]=3 32 B18R3.1018550 C[C@@H](NCc1cccc2c1cco2)C3CC3 AIFCHEM-94565148694 [0,1,0,0,0,0|2,0,0]=3 33 B18R3.1018550 C[C@@H](NCc1cccc2c1non2)C3CC3 AIFCHEM-5606006229 [0,1,0,0,0,0|3,0,0]=4 34 B18R3.1018550 C[C@@H](NCc1cccc2c1nsn2)C3CC3 AIFCHEM-5605863378 [0,1,0,0,0,0|3,0,0]=4 35 B18R3.1018550 C[C@H](NCc1cccc2c1cc[nH]2)C3CC3 AIFCHEM-5812172681 [0,1,0,0,0,0|2,0,0]=3 36 B18R3.1018550 C[C@H](NCc1cccc2c1cco2)C3CC3 AIFCHEM-94533995669 [0,1,0,0,0,0|2,0,0]=3 37 B18R3.1018550 C[C@H](NCc1cccc2c1non2)C3CC3 AIFCHEM-94533992440 [0,1,0,0,0,0|3,0,0]=4 38 B18R3.1018550 C[C@H](NCc1cccc2c1nsn2)C3CC3 AIFCHEM-5811735230 [0,1,0,0,0,0|3,0,0]=4 39 B18R3.1018550 O=C(NCc1cccc2c1scc2)C3CC3 AIFCHEM-5997465120 [0,1,0,0,0,0|0,0,1]=2 40 B16R2.2697 COc1c(cccc1CNCC2CC2)Br AIFCHEM-5959770519 [0,0,1,0,0,0|1,1,1]=4 41 B16R2.2697 COc1c(cccc1CNCC2CC2)C AIFCHEM-94592473759 [0,0,1,0,0,0|0,1,2]=4 42 B16R2.2697 COc1c(cccc1CNCC2CC2)O AIFCHEM-5974342395 [0,0,1,0,0,0|1,1,1]=4 43 B16R2.7450 COc1cccc(c1O)CNCC2CC2 AIFCHEM-5927476419 [0,0,1,0,0,0|1,1,1]=4 44 B16R2.11632 CCCCC=Cc1cccc2c1scc2 AIFCHEM-6371516012 [0,0,1,0,0,0|1,0,1]=3 45 B16R2.11632 CCCCC=Cc1cccc2c1scn2 AIFCHEM-6403379521 [0,0,1,0,0,0|2,0,1]=4 46 B16R2.11632 CCCCNCc1cccc2c1CCO2 AIFCHEM-5695233033 [0,0,1,0,0,0|2,0,1]=4 47 B16R2.11632 CCCCNCc1cccc2c1OCC2 AIFCHEM-5751552574 [0,0,1,0,0,0|0,1,2]=4 48 B16R2.11632 CCCCNCc1cccc2c1[nH]cc2 AIFCHEM-94570969667 [0,0,1,0,0,0|1,0,0]=2 49 B16R2.11632 CCCCNCc1cccc2c1[nH]nc2 AIFCHEM-94570972594 [0,0,1,0,0,0|2,0,0]=3 50 B16R2.11632 CCCCNCc1cccc2c1cc[nH]2 AIFCHEM-94570969666 [0,0,1,0,0,0|2,0,0]=3 51 B16R2.11632 CCCCNCc1cccc2c1ccs2 AIFCHEM-94570969410 [0,0,1,0,0,0|2,0,0]=3 52 B16R2.11632 CCCCNCc1cccc2c1nsn2 AIFCHEM-5725425669 [0,0,1,0,0,0|3,0,0]=4 53 B16R2.11632 CCCCNCc1ccnc2c1cc[nH]2 AIFCHEM-94570974849 [0,0,1,0,0,0|3,0,0]=4 54 B16R2.11632 COCCNCc1cccc2c1ncs2 AIFCHEM-6016099751 [0,0,1,0,0,0|3,0,0]=4 55 B16R2.11632 CSCCNCc1cccc2c1occ2 AIFCHEM-5882333597 [0,0,1,0,0,0|1,1,0]=3 56 B16R2.11632 OCCCNCc1cccc2c1nc[nH]2 AIFCHEM-94523161581 [0,0,1,0,0,0|3,0,0]=4 57 B16R2.11632 OCCCNCc1cccc2c1occ2 AIFCHEM-94523166660 [0,0,1,0,0,0|1,1,0]=3 58 B16R2.11632 OCCCNCc1cccn2c1ncc2 AIFCHEM-94523161343 [0,0,1,0,0,0|3,0,0]=4 59 B16R2.27401 CC(C)CNCc1cccc2c1OCC2 AIFCHEM-6144261309 [0,0,1,0,0,0|0,1,2]=4 60 B16R2.27401 CC(C)CNCc1cccc2c1[nH]nc2 AIFCHEM-6122735465 [0,0,1,0,0,0|2,0,0]=3 61 B16R2.27401 CC(C)CNCc1cccc2c1cco2 AIFCHEM-94565156456 [0,0,1,0,0,0|2,0,0]=3 62 B16R2.27401 CC(C)CNCc1cccc2c1non2 AIFCHEM-6179372208 [0,0,1,0,0,0|3,0,0]=4 63 B16R2.27401 CC(C)CNCc1cccc2c1nsn2 AIFCHEM-94563722917 [0,0,1,0,0,0|3,0,0]=4 64 B16R2.27401 CC(C)CNCc1cccc2c1scc2 AIFCHEM-6162319796 [0,0,1,0,0,0|0,0,0]=1 65 B16R2.27401 CC(C)CNCc1cccn2c1ncc2 AIFCHEM-94563719897 [0,0,1,0,0,0|2,0,0]=3 66 B16R2.27401 CC(O)CNCc1cccc2c1scc2 AIFCHEM-94558280134 [0,0,1,0,0,0|1,0,0]=2 67 B16R2.27401 C[C@@H](O)CNCc1cccc2c1scc2 AIFCHEM-6491725152 [0,0,1,0,0,0|1,0,0]=2 68 B16R2.27401 C[C@H](O)CNCc1cccc2c1scc2 AIFCHEM-6493087319 [0,0,1,0,0,0|1,0,0]=2 69 B16R2.27401 O=C(O)CNCc1cccc2c1scc2 AIFCHEM-94542880964 [0,0,1,0,0,0|2,0,1]=4 70 B16R3.6443 c1cc(c2[nH]ccc2c1)CNC3CC3 AIFCHEM-94573312600 [0,0,0,0,1,0|1,0,0]=2 71 B16R3.6443 c1cc(c2cc[nH]c2n1)CNC3CC3 AIFCHEM-6109293983 [0,0,0,0,1,0|3,0,0]=4 72 B16R3.6443 c1cc(c2cn[nH]c2c1)CNC3CC3 AIFCHEM-94573317504 [0,0,0,0,1,0|3,0,0]=4 73 B16R3.6443 c1cc(c2ncsc2c1)CNC3CC3 AIFCHEM-6145800859 [0,0,0,0,1,0|2,0,0]=3 74 B16R3.6443 c1cc(c2nonc2c1)CNC3CC3 AIFCHEM-6132943749 [0,0,0,0,1,0|3,0,0]=4 75 B16R3.6443 c1cc(c2nsnc2c1)CNC3CC3 AIFCHEM-6144293800 [0,0,0,0,1,0|3,0,0]=4 76 B16R3.6443 c1cc(n2ccnc2c1)NCC3CC3 AIFCHEM-94533297990 [0,0,0,0,1,0|3,0,0]=4 77 B16R3.6443 c1cc2c(c(c1)CNC3CC3)OCC2 AIFCHEM-94573314577 [0,0,0,0,1,0|0,1,2]=4 78 B18R3.2175 c1cc(c2c(c1)OCCO2)CNCC3CC3 AIFCHEM-5911359315 [0,0,0,0,0,1|0,1,2]=4 79 B18R3.2175 c1cc(c2cccnc2c1)CNCC3CC3 AIFCHEM-94592471187 [0,0,0,0,0,1|1,0,0]=2 80 B18R3.2175 c1ccc2c(nccc2c1)CNCC3CC3 AIFCHEM-5943751537 [0,0,0,0,0,1|2,0,0]=3 81 B18R3.36498 c1cc(c2[nH]ccc2c1)CNCC3COC3 AIFCHEM-5894810133 [0,0,0,0,0,1|1,0,0]=2 82 B18R3.36498 c1cc(c2[nH]ncc2c1)CNCC3CCO3 AIFCHEM-94567676699 [0,0,0,0,0,1|2,0,0]=3 83 B18R3.36498 c1cc(c2[nH]ncc2c1)CNC[C@@H]3CCO3 AIFCHEM-5828567115 [0,0,0,0,0,1|2,0,0]=3 84 B18R3.36498 c1cc(c2[nH]ncc2c1)CNC[C@H]3CCO3 AIFCHEM-5776686612 [0,0,0,0,0,1|2,0,0]=3 85 B18R3.36498 c1cc(c2c(c1)OCC2)CNCC3CCC3 AIFCHEM-5726040214 [0,0,0,0,0,1|2,0,1]=4 86 B18R3.36498 c1cc(c2c(c1)OCC2)CNCC3CCO3 AIFCHEM-94567675919 [0,0,0,0,0,1|2,0,1]=4 87 B18R3.36498 c1cc(c2c(c1)OCC2)CNC[C@@H]3CCO3 AIFCHEM-5873725439 [0,0,0,0,0,1|2,0,1]=4 88 B18R3.36498 c1cc(c2c(c1)OCC2)CNC[C@H]3CCO3 AIFCHEM-5694849794 [0,0,0,0,0,1|2,0,1]=4 89 B18R3.36498 c1cc(c2c(c1)OCO2)CNCC3CCC3 AIFCHEM-5756928400 [0,0,0,0,0,1|1,1,1]=4 90 B18R3.36498 c1cc(c2cc[nH]c2n1)CNCC3CCC3 AIFCHEM-94536867174 [0,0,0,0,0,1|3,0,0]=4 91 B18R3.36498 c1cc(c2cc[nH]c2n1)CNCC3CCO3 AIFCHEM-94567678954 [0,0,0,0,0,1|3,0,0]=4 92 B18R3.36498 c1cc(c2ccoc2c1)CNCC3COC3 AIFCHEM-94565154745 [0,0,0,0,0,1|2,0,0]=3 93 B18R3.36498 c1cc(c2nc[nH]c2c1)CNCC3CCC3 AIFCHEM-94536863163 [0,0,0,0,0,1|2,0,0]=3 94 B18R3.36498 c1cc(c2nc[nH]c2c1)CNCC3CCO3 AIFCHEM-94567674943 [0,0,0,0,0,1|2,0,0]=3 95 B18R3.36498 c1cc(c2nccn2c1)CNCC3CCO3 AIFCHEM-94567674705 [0,0,0,0,0,1|2,0,0]=3 96 B18R3.36498 c1cc(c2nccn2c1)CNC[C@@H]3CCO3 AIFCHEM-5863897284 [0,0,0,0,0,1|2,0,0]=3 97 B18R3.36498 c1cc(c2nccn2c1)CNC[C@H]3CCO3 AIFCHEM-5721426481 [0,0,0,0,0,1|2,0,0]=3 98 B18R3.36498 c1cc(c2ncsc2c1)CNCC3COC3 AIFCHEM-5941044415 [0,0,0,0,0,1|2,0,0]=3 99 B18R3.36498 c1cc(c2nonc2c1)CNCC3CCC3 AIFCHEM-5725771414 [0,0,0,0,0,1|3,0,0]=4 100 B18R3.36498 c1cc(c2nonc2c1)CNCC3CCO3 AIFCHEM-94567676792 [0,0,0,0,0,1|3,0,0]=4 101 B18R3.36498 c1cc(c2nonc2c1)CNCC3COC3 AIFCHEM-5925037644 [0,0,0,0,0,1|3,0,0]=4 102 B18R3.36498 c1cc(c2nonc2c1)CNC[C@@H]3CCO3 AIFCHEM-5881891982 [0,0,0,0,0,1|3,0,0]=4 103 B18R3.36498 c1cc(c2nonc2c1)CNC[C@H]3CCO3 AIFCHEM-5754645595 [0,0,0,0,0,1|3,0,0]=4 104 B18R3.36498 c1cc(c2nsnc2c1)CNCC3CCC3 AIFCHEM-5697521480 [0,0,0,0,0,1|3,0,0]=4 105 B18R3.36498 c1cc(c2nsnc2c1)CNCC3CCO3 AIFCHEM-94567677725 [0,0,0,0,0,1|3,0,0]=4 106 B18R3.36498 c1cc(c2nsnc2c1)CNCC3COC3 AIFCHEM-5895445849 [0,0,0,0,0,1|3,0,0]=4 107 B18R3.36498 c1cc(c2nsnc2c1)CNC[C@@H]3CCO3 AIFCHEM-5846381224 [0,0,0,0,0,1|3,0,0]=4 108 B18R3.36498 c1cc(c2nsnc2c1)CNC[C@H]3CCO3 AIFCHEM-5694328241 [0,0,0,0,0,1|3,0,0]=4 109 B18R3.36498 c1cc2c(c(c1)CNCC3CCO3)CCC2 AIFCHEM-94567677745 [0,0,0,0,0,1|1,0,2]=4 110 B18R3.36498 c1cc2c(c(c1)CNC[C@@H]3CCO3)CCC2 AIFCHEM-5828438379 [0,0,0,0,0,1|1,0,2]=4 111 B18R3.36498 c1cc2c(c(c1)CNC[C@H]3CCO3)CCC2 AIFCHEM-5754269844 [0,0,0,0,0,1|1,0,2]=4 112 B18R3.238573 c1cc(c2ccsc2c1)CNCCC3CC3 AIFCHEM-5772466523 [0,0,0,0,0,1|2,0,0]=3 113 B18R3.238573 c1cc(c2nonc2c1)CNCCC3CC3 AIFCHEM-5772591199 [0,0,0,0,0,1|3,0,0]=4 114 B18R3.238573 c1cc(c2nsnc2c1)CNCCC3CC3 AIFCHEM-5716047850 [0,0,0,0,0,1|3,0,0]=4 115 B18R3.238573 c1cc2c(c(c1)CNCCC3CC3)CCC2 AIFCHEM-5784152191 [0,0,0,0,0,1|1,0,2]=4 116 B15R2.7158 Brc1cccc(c1Br)CNCC2CC2 AIFCHEM-94592473431 [1,0,1,0,0,0|2,0,0]=4 117 B15R2.7158 Cc1cccc(c1O)CNCC2CC2 AIFCHEM-5835406237 [1,0,1,0,0,0|0,1,1]=4 118 B15R2.7158 Fc1c(cccc1CNCC2CC2)Br AIFCHEM-6060580725 [1,0,1,0,0,0|2,0,0]=4 119 B15R2.7158 Oc1c(cccc1CNCC2CC2)Br AIFCHEM-94592470618 [1,0,1,0,0,0|1,1,0]=4 120 B15R2.7158 Oc1c(cccc1CNCC2CC2)Cl AIFCHEM-94592470746 [1,0,1,0,0,0|1,1,0]=4 121 B15R2.7158 Oc1c(cccc1CNCC2CC2)F AIFCHEM-94592472237 [1,0,1,0,0,0|1,1,0]=4 122 B15R2.7158 Oc1c(cccc1CNCC2CC2)I AIFCHEM-94592471232 [1,0,1,0,0,0|1,1,0]=4 123 B15R2.7158 Oc1cccc(c1O)CNCC2CC2 AIFCHEM-94592471329 [1,0,1,0,0,0|1,1,0]=4 124 B15R2.4278 CCCCNc1cccc2c1nco2 AIFCHEM-94523032752 [1,0,1,0,0,0|2,0,0]=4 125 B15R2.4278 CCCNCc1cccc2c1cco2 AIFCHEM-94521372221 [1,0,1,0,0,0|2,0,0]=4 126 B15R2.4278 FCCNCc1cccc2c1scn2 AIFCHEM-5871193683 [1,0,1,0,0,0|2,0,0]=4 127 B15R2.4278 OCCNCc1cccc2c1scn2 AIFCHEM-94577776497 [1,0,1,0,0,0|2,0,0]=4 128 B17R2.10878 CCCCCC=Cc1cccc2c1scc2 AIFCHEM-6353163190 [0,1,1,0,0,0|1,0,1]=4 129 B17R2.10878 CCCCCNCc1cccc2c1cc[nH]2 AIFCHEM-94522650089 [0,1,1,0,0,0|2,0,0]=4 130 B17R2.10878 CCOCCNCc1cccc2c1cco2 AIFCHEM-94565143192 [0,1,1,0,0,0|2,0,0]=4 131 B17R2.10878 CCOCCNCc1cccc2c1occ2 AIFCHEM-94548608963 [0,1,1,0,0,0|0,1,0]=3 132 B17R2.10878 CCOCCNCc1cccc2c1scc2 AIFCHEM-94548602458 [0,1,1,0,0,0|0,0,0]=2 133 B17R2.10878 CCSCCNCc1cccc2c1[nH]nc2 AIFCHEM-6032939619 [0,1,1,0,0,0|2,0,0]=4 134 B17R2.10878 COCCCNCc1cccc2c1ccs2 AIFCHEM-5644923725 [0,1,1,0,0,0|2,0,0]=4 135 B17R2.10878 CSCCCNCc1cccc2c1cco2 AIFCHEM-94529056910 [0,1,1,0,0,0|2,0,0]=4 136 B17R2.10878 CSCCCNCc1cccc2c1nc[nH]2 AIFCHEM-94529051832 [0,1,1,0,0,0|2,0,0]=4 137 B17R2.10878 OCCCCNCc1cccc2c1[nH]cc2 AIFCHEM-6502587246 [0,1,1,0,0,0|1,0,0]=3 138 B17R2.10878 OCCCCNCc1cccc2c1cco2 AIFCHEM-94565145591 [0,1,1,0,0,0|2,0,0]=4 139 B17R2.10878 OCCCCNCc1cccc2c1occ2 AIFCHEM-6488260922 [0,1,1,0,0,0|0,1,0]=3 140 B17R2.19054 CCCCNCc1cccc2c1n(nc2)C AIFCHEM-5751492985 [0,1,1,0,0,0|2,0,0]=4 141 B17R2.44757 CC(C)CCNCc1cccc2c1cco2 AIFCHEM-94565153713 [0,1,1,0,0,0|2,0,0]=4 142 B17R2.44757 FC(F)CCNCc1cccc2c1occ2 AIFCHEM-6213661047 [0,1,1,0,0,0|1,1,0]=4 143 B17R2.44757 FC(F)CCNCc1cccc2c1scn2 AIFCHEM-6231638249 [0,1,1,0,0,0|2,0,0]=4 144 B17R2.45754 CCCCNCc1c(ccc2c1cco2)F AIFCHEM-94570971682 [0,1,1,0,0,0|2,0,0]=4 145 B17R2.60842 CCC(C)CNCc1cccc2c1cco2 AIFCHEM-94534476189 [0,1,1,0,0,0|2,0,0]=4 146 B17R2.60842 CCC(C)CNCc1cccc2c1ccs2 AIFCHEM-94534469683 [0,1,1,0,0,0|2,0,0]=4 147 B17R2.60842 CCC(O)CNCc1cccc2c1occ2 AIFCHEM-6456882288 [0,1,1,0,0,0|0,1,0]=3 148 B17R2.60842 CC[C@@H](O)CNCc1cccc2c1occ2 AIFCHEM-6445474002 [0,1,1,0,0,0|0,1,0]=3 149 B17R2.60842 COC(C)CNCc1cccc2c1occ2 AIFCHEM-5788671496 [0,1,1,0,0,0|1,1,0]=4 150 B17R2.60842 COC(C)CNCc1cccc2c1scn2 AIFCHEM-5789224643 [0,1,1,0,0,0|2,0,0]=4 151 B17R2.60842 CO[C@@H](C)CNCc1cccc2c1occ2 AIFCHEM-94588786012 [0,1,1,0,0,0|1,1,0]=4 152 B17R2.60842 CO[C@@H](C)CNCc1cccc2c1scn2 AIFCHEM-5929065730 [0,1,1,0,0,0|2,0,0]=4 153 B17R2.60842 CO[C@H](C)CNCc1cccc2c1occ2 AIFCHEM-94608842106 [0,1,1,0,0,0|1,1,0]=4 154 B17R2.60842 CO[C@H](C)CNCc1cccc2c1scn2 AIFCHEM-94608837028 [0,1,1,0,0,0|2,0,0]=4 155 B17R2.60842 OCC(O)CNCc1cccc2c1occ2 AIFCHEM-6458971389 [0,1,1,0,0,0|1,1,0]=4 156 B17R2.60842 OC[C@@H](O)CNCc1cccc2c1occ2 AIFCHEM-6444466673 [0,1,1,0,0,0|1,1,0]=4 157 B17R2.60842 OC[C@H](O)CNCc1cccc2c1occ2 AIFCHEM-6434478229 [0,1,1,0,0,0|1,1,0]=4 158 B17R2.74946 CC(CCO)NCc1cccc2c1occ2 AIFCHEM-6495414615 [0,1,1,0,0,0|1,1,0]=4 159 B17R2.74946 CCCC(C)NCc1cccc2c1[nH]nc2 AIFCHEM-94606124176 [0,1,1,0,0,0|2,0,0]=4 160 B17R2.74946 CCC[C@H](C)NCc1cccc2c1[nH]nc2 AIFCHEM-5686529800 [0,1,1,0,0,0|2,0,0]=4 161 B17R2.74946 COCC(=O)NCc1cccc2c1scc2 AIFCHEM-5997284045 [0,1,1,0,0,0|1,0,1]=4 162 B17R2.74946 COC[C@@H](C)NCc1cccc2c1scn2 AIFCHEM-5784857050 [0,1,1,0,0,0|2,0,0]=4 163 B17R2.74946 COC[C@H](C)NCc1cccc2c1scn2 AIFCHEM-5685030953 [0,1,1,0,0,0|2,0,0]=4 164 B17R2.74946 C[C@@H](CCO)NCc1cccc2c1occ2 AIFCHEM-6495334762 [0,1,1,0,0,0|1,1,0]=4 165 B17R2.74946 C[C@H](CCO)NCc1cccc2c1occ2 AIFCHEM-6464885790 [0,1,1,0,0,0|1,1,0]=4 166 B17R2.84729 CC(C)C(=O)NCc1cccc2c1[nH]cc2 AIFCHEM-94545048758 [0,1,1,0,0,0|1,0,1]=4 167 B17R2.84729 CC(C)C(C)NCc1cccc2c1ccs2 AIFCHEM-6189738332 [0,1,1,0,0,0|2,0,0]=4 168 B17R2.84729 CC(C)C(C)NCc1cccc2c1occ2 AIFCHEM-6191012727 [0,1,1,0,0,0|0,1,0]=3 169 B17R2.84729 CC(C)C(C)NCc1cccc2c1scc2 AIFCHEM-6231712796 [0,1,1,0,0,0|0,0,0]=2 170 B17R2.84729 CC(C)[C@@H](C)NCc1cccc2c1ccs2 AIFCHEM-94576817212 [0,1,1,0,0,0|2,0,0]=4 171 B17R2.84729 CC(C)[C@@H](C)NCc1cccc2c1occ2 AIFCHEM-94576823719 [0,1,1,0,0,0|0,1,0]=3 172 B17R2.84729 CC(C)[C@@H](C)NCc1cccc2c1scc2 AIFCHEM-94576817214 [0,1,1,0,0,0|0,0,0]=2 173 B17R2.90704 CC(C)(C)CNCc1cccc2c1[nH]nc2 AIFCHEM-5958454786 [0,1,1,0,0,0|2,0,0]=4 174 B17R2.90704 CC(C)(C)CNCc1cccn2c1ncc2 AIFCHEM-94570497410 [0,1,1,0,0,0|2,0,0]=4 175 B17R2.90704 CC(C)(F)CNCc1cccc2c1scc2 AIFCHEM-5760576410 [0,1,1,0,0,0|0,0,0]=2 176 B17R2.90704 CC(C)(F)CNCc1cccc2c1scn2 AIFCHEM-5760632352 [0,1,1,0,0,0|1,0,0]=3 177 B17R2.90704 CC(C)(F)CNCc1cccn2c1ncc2 AIFCHEM-5711590758 [0,1,1,0,0,0|2,0,0]=4 178 B17R2.90704 CC(C)(O)CNCc1cccc2c1[nH]cc2 AIFCHEM-6439015782 [0,1,1,0,0,0|1,0,0]=3 179 B17R2.90704 CC(C)(O)CNCc1cccc2c1nc[nH]2 AIFCHEM-6435535663 [0,1,1,0,0,0|2,0,0]=4 180 B17R2.90704 CC(F)(F)CNCc1cccc2c1scn2 AIFCHEM-5972687265 [0,1,1,0,0,0|2,0,0]=4 181 B17R2.147063 CC(C)CN(C)Cc1cccc2c1cco2 AIFCHEM-94565154750 [0,1,1,0,0,0|2,0,0]=4 182 B17R2.147063 CC(C)CN(C)Cc1cccc2c1scc2 AIFCHEM-5710982947 [0,1,1,0,0,0|0,0,0]=2 183 B17R2.147063 CN(Cc1cccc2c1scc2)CC(F)F AIFCHEM-5956057381 [0,1,1,0,0,0|2,0,0]=4 184 B17R2.184950 CC(C)CNCc1cccc2c1n(cc2)C AIFCHEM-94563723958 [0,1,1,0,0,0|1,0,0]=3 185 B17R2.184950 CC(C)CNCc1cccc2c1n(nc2)C AIFCHEM-6162987282 [0,1,1,0,0,0|2,0,0]=4 186 B17R2.46542 CC=Cc1cccc(c1)CNC(=O)C2CC2 AIFCHEM-62652761808 [0,1,1,0,0,0|1,0,1]=4 187 B17R2.46577 CC=Cc1cccc(c1)C(=O)NCC2CC2 AIFCHEM-97289250473 [0,1,1,0,0,0|1,0,1]=4 188 B17R2.60515 CC(=O)Oc1cccc(c1)CNCC2CC2 AIFCHEM-94592471928 [0,1,1,0,0,0|1,1,0]=4 189 B17R2.60647 CC(=O)Nc1ccccc1CNCC2CC2 AIFCHEM-5909991325 [0,1,1,0,0,0|1,0,1]=4 190 B17R2.60647 CC(=O)Oc1ccccc1CNCC2CC2 AIFCHEM-94592473111 [0,1,1,0,0,0|0,1,1]=4 191 B17R3.1882 O=C1OCc2c1cccc2NCC3CC3 AIFCHEM-5698722500 [0,1,0,0,1,0|2,0,0]=4 192 B17R3.2985 C[C@@H]1C[C@H]1NCc2cccc3c2cco3 AIFCHEM-94559011855 [0,1,0,0,1,0|2,0,0]=4 193 B17R3.2985 FC1CC1NCc2cccc3c2[nH]nc3 AIFCHEM-5872510500 [0,1,0,0,1,0|2,0,0]=4 194 B17R3.2985 FC1CC1NCc2cccc3c2ncs3 AIFCHEM-94597357983 [0,1,0,0,1,0|2,0,0]=4 195 B17R3.2985 FC1CC1NCc2cccc3c2occ3 AIFCHEM-94597363784 [0,1,0,0,1,0|0,1,0]=3 196 B17R3.2985 F[C@@H]1C[C@H]1NCc2cccc3c2[nH]nc3 AIFCHEM-5880905121 [0,1,0,0,1,0|2,0,0]=4 197 B17R3.2985 F[C@@H]1C[C@H]1NCc2cccc3c2occ3 AIFCHEM-5815484902 [0,1,0,0,1,0|0,1,0]=3 198 B17R3.2985 F[C@H]1C[C@@H]1NCc2cccc3c2[nH]nc3 AIFCHEM-6027492512 [0,1,0,0,1,0|2,0,0]=4 199 B17R3.2985 F[C@H]1C[C@@H]1NCc2cccc3c2ncs3 AIFCHEM-6062351436 [0,1,0,0,1,0|2,0,0]=4 200 B17R3.2985 F[C@H]1C[C@@H]1NCc2cccc3c2occ3 AIFCHEM-94589285892 [0,1,0,0,1,0|0,1,0]=3 201 B17R3.2985 F[C@H]1C[C@H]1NCc2cccc3c2[nH]nc3 AIFCHEM-6081674311 [0,1,0,0,1,0|2,0,0]=4 202 B17R3.2985 F[C@H]1C[C@H]1NCc2cccc3c2ncs3 AIFCHEM-6086234383 [0,1,0,0,1,0|2,0,0]=4 203 B17R3.2985 F[C@H]1C[C@H]1NCc2cccc3c2occ3 AIFCHEM-6010604451 [0,1,0,0,1,0|0,1,0]=3 204 B17R3.56297 Cc1ccc(c2c1cn[nH]2)NCC3CC3 AIFCHEM-5762336364 [0,1,0,0,1,0|2,0,0]=4 205 B19R3.304 C[C@@H]1C[C@H]1CNCc2cccc3c2ncnc3 AIFCHEM-94599415470 [0,1,0,0,0,1|1,0,0]=3 206 B19R3.22105 CN(Cc1cccc2c1cccc2)CC3CC3 AIFCHEM-94539007673 [0,1,0,0,0,1|1,0,0]=3 207 B19R3.22105 CN(Cc1cccc2c1cccn2)CC3CC3 AIFCHEM-5950101211 [0,1,0,0,0,1|1,0,0]=3 208 B19R3.22105 CN(Cc1cncc2c1cccc2)CC3CC3 AIFCHEM-5942473194 [0,1,0,0,0,1|2,0,0]=4 209 B19R3.66670 CC1(CC1)CNCc2cccc3c2ccnc3 AIFCHEM-6063093841 [0,1,0,0,0,1|1,0,0]=3 210 B19R3.66670 CC1(CC1)CNCc2cccc3c2ncnc3 AIFCHEM-6025119574 [0,1,0,0,0,1|1,0,0]=3 211 B19R3.66670 CC1(CC1)CNCc2ccnc3c2cccc3 AIFCHEM-6063109187 [0,1,0,0,0,1|2,0,0]=4 212 B19R3.66670 OC1(CC1)CNCc2cccc3c2cncc3 AIFCHEM-6466233409 [0,1,0,0,0,1|1,0,0]=3 213 B19R3.66670 OC1(CC1)CNCc2ccnc3c2cccc3 AIFCHEM-6395527845 [0,1,0,0,0,1|2,0,0]=4 214 B19R3.66670 OC1(CC1)CNCc2cncc3c2cccc3 AIFCHEM-6466195249 [0,1,0,0,0,1|2,0,0]=4 215 B19R3.191202 Oc1ccc2ccccc2c1CNCC3CC3 AIFCHEM-5909793674 [0,1,0,0,0,1|1,0,0]=3 216 B19R3.202720 CC(NCC1CC1)c2cccc3c2nccc3 AIFCHEM-94592473092 [0,1,0,0,0,1|1,0,0]=3 217 B19R3.202720 O=C(NCC1CC1)c2cccc3c2cccn3 AIFCHEM-5910322502 [0,1,0,0,0,1|1,0,1]=4 218 B19R3.425193 Cc1ccc(c2c1cccc2)CNCC3CC3 AIFCHEM-5911464435 [0,1,0,0,0,1|1,0,0]=3 219 B19R3.425193 Oc1ccc(c2c1nccc2)CNCC3CC3 AIFCHEM-94592471428 [0,1,0,0,0,1|1,0,0]=3 220 B19R3.180081 CN1CC(C1)CNCc2cccc3c2ccs3 AIFCHEM-5842400218 [0,1,0,0,0,1|2,0,0]=4 221 B19R3.180081 O[C@H]1C[C@H](C1)CNCc2cccc3c2[nH]nc3 AIFCHEM-94587194948 [0,1,0,0,0,1|2,0,0]=4 222 B19R3.180081 O[C@H]1C[C@H](C1)CNCc2cccc3c2cco3 AIFCHEM-94565158142 [0,1,0,0,0,1|2,0,0]=4 223 B19R3.180081 O[C@H]1C[C@H](C1)CNCc2cccc3c2occ3 AIFCHEM-6468807900 [0,1,0,0,0,1|0,1,0]=3 224 B19R3.180081 O[C@H]1C[C@H](C1)CNCc2cccc3c2scc3 AIFCHEM-6445036481 [0,1,0,0,0,1|0,0,0]=2 225 B19R3.180081 O[C@H]1C[C@H](C1)CNCc2cccc3c2scn3 AIFCHEM-6441653007 [0,1,0,0,0,1|1,0,0]=3 226 B19R3.678500 O=C(NCc1cccc2c1[nH]cc2)C3CCC3 AIFCHEM-94572521105 [0,1,0,0,0,1|1,0,1]=4 227 B19R3.2383301 CC1(COC1)CNCc2cccc3c2cco3 AIFCHEM-94565147020 [0,1,0,0,0,1|2,0,0]=4 228 B19R3.2383301 OC1(CCC1)CNCc2cccc3c2ccs3 AIFCHEM-6498385592 [0,1,0,0,0,1|2,0,0]=4 229 B19R3.2383301 OC1(CCC1)CNCc2cccc3c2occ3 AIFCHEM-6498684129 [0,1,0,0,0,1|0,1,0]=3 230 B19R3.2383301 OC1(CCC1)CNCc2cccc3c2scc3 AIFCHEM-6493044644 [0,1,0,0,0,1|0,0,0]=2 231 B19R3.2383301 OC1(COC1)CNCc2cccc3c2ncs3 AIFCHEM-6469951161 [0,1,0,0,0,1|2,0,0]=4 232 B19R3.7684174 Cn1ccc2c1c(ccc2)CNCC3CCO3 AIFCHEM-94567678766 [0,1,0,0,0,1|1,0,0]=3 233 B19R3.7684174 Cn1ccc2c1c(ccc2)CNC[C@H]3CCO3 AIFCHEM-5694830822 [0,1,0,0,0,1|1,0,0]=3 234 B19R3.679145 OC(CNCc1cccc2c1cco2)C3CC3 AIFCHEM-94565153714 [0,1,0,0,0,1|2,0,0]=4 235 B19R3.2384353 FC1(CC1CNCc2cccc3c2[nH]nc3)F AIFCHEM-5754350130 [0,2,0,0,0,0|2,0,0]=4 236 B19R3.7684178 C[C@@H]1C[C@H]1CNCc2cccc3c2n(nc3)C AIFCHEM-94599419922 [0,2,0,0,0,0|2,0,0]=4 237 B19R3.7684171 CN(Cc1cccc2c1n(nc2)C)CC3CC3 AIFCHEM-5942369521 [0,2,0,0,0,0|2,0,0]=4 238 B19R3.10821793 CN(CC1CC1)C(=O)c2cccc3c2scn3 AIFCHEM-94594903724 [0,2,0,0,0,0|1,0,1]=4 239 B19R3.4094801 O=C(NCC1(CC1)F)c2cccc3c2occ3 AIFCHEM-5773742205 [0,2,0,0,0,0|0,1,1]=4 240 B19R3.10827429 CC1(CC1)C(=O)NCc2cccc3c2[nH]cc3 AIFCHEM-94539103196 [0,2,0,0,0,0|1,0,1]=4 241 B19R3.10827429 CC1(CC1)C(=O)NCc2cccc3c2scc3 AIFCHEM-6083785939 [0,2,0,0,0,0|0,0,1]=3 242 B19R3.10827429 C[C@@H](NCc1cccc2c1occ2)C3(CC3)C AIFCHEM-5755006794 [0,2,0,0,0,0|0,1,0]=3 243 B19R3.10827429 C[C@@H](NCc1cccc2c1scc2)C3(CC3)C AIFCHEM-5744358357 [0,2,0,0,0,0|0,0,0]=2 244 B19R3.10827429 C[C@@H](NCc1cccc2c1scn2)C3(CC3)C AIFCHEM-5746882407 [0,2,0,0,0,0|1,0,0]=3 245 B19R3.6535366 CC(N[C@@H](C)C1CC1)c2cccc3c2ocn3 AIFCHEM-5790207348 [0,2,0,0,0,0|1,1,0]=4 246 B19R3.6535366 CC(N[C@H](C)C1CC1)c2cccc3c2ocn3 AIFCHEM-5629851175 [0,2,0,0,0,0|1,1,0]=4 247 B19R3.755719 CCC(NCc1cccc2c1[nH]cc2)C3CC3 AIFCHEM-5663648607 [0,2,0,0,0,0|1,0,0]=3 248 B19R3.755719 N#CC(NCc1cccc2c1scc2)C3CC3 AIFCHEM-6440686551 [0,2,0,0,0,0|0,0,0]=2 249 B19R3.755719 OCC(NCc1cccc2c1cc[nH]2)C3CC3 AIFCHEM-6475496628 [0,2,0,0,0,0|2,0,0]=4 250 B19R3.755719 OCC(NCc1cccc2c1ncs2)C3CC3 AIFCHEM-6410040667 [0,2,0,0,0,0|2,0,0]=4 251 B19R3.755719 OC[C@@H](NCc1cccc2c1cc[nH]2)C3CC3 AIFCHEM-6461567541 [0,2,0,0,0,0|2,0,0]=4 252 B19R3.755719 OC[C@@H](NCc1cccc2c1ncs2)C3CC3 AIFCHEM-6477596420 [0,2,0,0,0,0|2,0,0]=4 253 B19R3.755719 OC[C@H](NCc1cccc2c1cc[nH]2)C3CC3 AIFCHEM-6399588729 [0,2,0,0,0,0|2,0,0]=4 254 B19R3.755719 OC[C@H](NCc1cccc2c1ncs2)C3CC3 AIFCHEM-6456432770 [0,2,0,0,0,0|2,0,0]=4 255 B19R3.6750325 CC(C)(NCc1cccc2c1cc[nH]2)C3CC3 AIFCHEM-5591814346 [0,2,0,0,0,0|2,0,0]=4 256 B19R3.6750325 CC(C)(NCc1cccc2c1scc2)C3CC3 AIFCHEM-5640674204 [0,2,0,0,0,0|0,0,0]=2 257 B19R3.7684163 CC(NCc1cccc2c1n(nc2)C)C3CC3 AIFCHEM-6120243195 [0,2,0,0,0,0|2,0,0]=4 258 B19R3.7684163 C[C@@H](NCc1cccc2c1n(nc2)C)C3CC3 AIFCHEM-5665716733 [0,2,0,0,0,0|2,0,0]=4 259 B19R3.7684163 C[C@H](NCc1cccc2c1n(nc2)C)C3CC3 AIFCHEM-94533995662 [0,2,0,0,0,0|2,0,0]=4 260 B17R3.1910 C(=C1CCCC1)c2cccc3c2scc3 AIFCHEM-6371362654 [0,0,1,1,0,0|1,0,1]=4 261 B17R3.1910 c1cc(c2scnc2c1)CN3CCSC3 AIFCHEM-5599114828 [0,0,1,1,0,0|2,0,0]=4 262 B17R3.4525 CC1CCN1Cc2cccc3c2[nH]cc3 AIFCHEM-6088862736 [0,0,1,1,0,0|1,0,0]=3 263 B17R3.4525 CC1CCN1Cc2cccc3c2ccs3 AIFCHEM-6113867203 [0,0,1,1,0,0|2,0,0]=4 264 B17R3.4525 C[C@@H]1CCN1Cc2cccc3c2[nH]cc3 AIFCHEM-6233664782 [0,0,1,1,0,0|1,0,0]=3 265 B17R3.4525 C[C@@H]1CCN1Cc2cccc3c2ccs3 AIFCHEM-6233679154 [0,0,1,1,0,0|2,0,0]=4 266 B17R3.4525 C[C@@H]1CCN1Cc2cccc3n2ncc3 AIFCHEM-6233507993 [0,0,1,1,0,0|2,0,0]=4 267 B17R3.4525 C[C@H]1CCN1Cc2cccc3c2[nH]cc3 AIFCHEM-5701807376 [0,0,1,1,0,0|1,0,0]=3 268 B17R3.4525 C[C@H]1CCN1Cc2cccc3c2ccs3 AIFCHEM-5760172251 [0,0,1,1,0,0|2,0,0]=4 269 B17R3.4525 C[C@H]1CCN1Cc2cccc3n2ncc3 AIFCHEM-5710872738 [0,0,1,1,0,0|2,0,0]=4 270 B17R3.8707 C1=C(CCCC1)c2cccc3c2scc3 AIFCHEM-6353608869 [0,0,1,1,0,0|1,0,1]=4 271 B17R3.20932 c1cc(c2[nH]ccc2c1)CNC3CCC3 AIFCHEM-94539089445 [0,0,1,1,0,0|1,0,0]=3 272 B17R3.5204 CC1CN(C1)Cc2cccc3c2scc3 AIFCHEM-5982427763 [0,0,1,1,0,0|0,0,0]=2 273 B17R3.5204 OC1CN(C1)Cc2cccc3c2scc3 AIFCHEM-6444200645 [0,0,1,1,0,0|1,0,0]=3 274 B17R3.5204 OC1CN(C1)Cc2cccc3c2scn3 AIFCHEM-6468597163 [0,0,1,1,0,0|2,0,0]=4 275 B17R3.127909 c1cc2cc(ccc2s1)CNCC3CC3 AIFCHEM-5911483015 [0,0,1,1,0,0|0,0,0]=2 276 B17R3.127909 c1cc2cc(ccn2n1)CNCC3CC3 AIFCHEM-5911422360 [0,0,1,1,0,0|2,0,0]=4 277 B17R3.127909 c1cc2ccc(cc2o1)CNCC3CC3 AIFCHEM-5911366660 [0,0,1,1,0,0|2,0,0]=4 278 B17R3.1964 c1ccn2ncc(c2c1)CNCC3CC3 AIFCHEM-5959863791 [0,0,1,1,0,0|2,0,0]=4 279 B17R3.1964 c1cnc2[nH]cc(c2c1)CNCC3CC3 AIFCHEM-94592472568 [0,0,1,1,0,0|2,0,0]=4 280 B17R3.123688 c1ccn2cc(nc2c1)CNCC3CC3 AIFCHEM-5974398375 [0,0,1,1,0,0|2,0,0]=4 281 B19R4.1388396 c1cc(c2ccoc2c1)CN3CC4CC3C4 AIFCHEM-94565157340 [0,0,0,1,0,1|2,0,0]=4 282 B19R4.1388396 c1cc(c2ccsc2c1)CN3CC4CC3C4 AIFCHEM-5764186970 [0,0,0,1,0,1|2,0,0]=4 283 B19R4.1388396 c1cc(c2scnc2c1)CN3CC4CC3C4 AIFCHEM-5740392657 [0,0,0,1,0,1|1,0,0]=3 284 B19R4.1388396 c1cc(n2nccc2c1)CN3CC4CC3C4 AIFCHEM-5757207764 [0,0,0,1,0,1|2,0,0]=4 285 B19R4.3925437 c1cc(c2occc2c1)CN3CC4(C3)CC4 AIFCHEM-6036223493 [0,1,0,1,0,0|0,1,0]=3 286 B19R4.3925437 c1cc(c2sccc2c1)CN3CC4(C3)CC4 AIFCHEM-6036193099 [0,1,0,1,0,0|0,0,0]=2 287 B15R2.19753 CC(C)CNc1cccc2c1nco2 AIFCHEM-94572975776 [0,0,1,0,1,0|2,0,0]=4 288 B15R2.19753 CC(C)NCc1cccc2c1scc2 AIFCHEM-94520536332 [0,0,1,0,1,0|0,0,0]=2 289 B15R2.16631 CC=Cc1cccc(c1)CNC2CC2 AIFCHEM-6001915468 [0,0,1,0,1,0|1,0,0]=3 290 B17R2.148072 CCCCNCc1cccc2c1nccn2 AIFCHEM-5744858676 [0,0,1,0,0,1|1,0,0]=3 291 B17R2.291558 CC(C)CNCc1cccc2c1ncnc2 AIFCHEM-6161873472 [0,0,1,0,0,1|1,0,0]=3 292 B17R2.291558 CC(C)CNCc1cncc2c1cccc2 AIFCHEM-6179312291 [0,0,1,0,0,1|2,0,0]=4 293 B17R2.291558 CC(O)CNCc1cccc2c1cccc2 AIFCHEM-94558285248 [0,0,1,0,0,1|2,0,0]=4 294 B17R2.291558 CC(O)CNCc1cccc2c1nccc2 AIFCHEM-94558283773 [0,0,1,0,0,1|2,0,0]=4 295 B17R2.291558 CC(O)CNCc1cccc2c1nccn2 AIFCHEM-94558281458 [0,0,1,0,0,1|2,0,0]=4 296 B17R2.291558 C[C@@H](O)CNCc1cccc2c1cccc2 AIFCHEM-6493159422 [0,0,1,0,0,1|2,0,0]=4 297 B17R2.291558 C[C@@H](O)CNCc1cccc2c1nccc2 AIFCHEM-6493116282 [0,0,1,0,0,1|2,0,0]=4 298 B17R2.291558 C[C@@H](O)CNCc1cccc2c1nccn2 AIFCHEM-6498694580 [0,0,1,0,0,1|2,0,0]=4 299 B17R2.291558 C[C@H](O)CNCc1cccc2c1cccc2 AIFCHEM-6492890269 [0,0,1,0,0,1|2,0,0]=4 300 B17R2.291558 C[C@H](O)CNCc1cccc2c1nccc2 AIFCHEM-6493447840 [0,0,1,0,0,1|2,0,0]=4 301 B17R2.291558 C[C@H](O)CNCc1cccc2c1nccn2 AIFCHEM-6493049373 [0,0,1,0,0,1|2,0,0]=4 302 B19R3.22022 c1cc(c2ccncc2c1)CNCC3CCO3 AIFCHEM-94567679202 [0,0,0,0,0,2|1,0,0]=3 303 B19R3.22022 c1cc(c2ccncc2c1)CNC[C@@H]3CCO3 AIFCHEM-5863620386 [0,0,0,0,0,2|1,0,0]=3 304 B19R3.22022 c1cc(c2ccncc2c1)CNC[C@H]3CCO3 AIFCHEM-5694102676 [0,0,0,0,0,2|1,0,0]=3 305 B19R3.22022 c1cc(c2cnccc2c1)CNCC3CCO3 AIFCHEM-94567679164 [0,0,0,0,0,2|1,0,0]=3 306 B19R3.22022 c1cc(c2cnccc2c1)CNC[C@@H]3CCO3 AIFCHEM-5873751985 [0,0,0,0,0,2|1,0,0]=3 307 B19R3.22022 c1cc(c2cnccc2c1)CNC[C@H]3CCO3 AIFCHEM-5721274046 [0,0,0,0,0,2|1,0,0]=3 308 B19R3.22022 c1cc(c2ncncc2c1)CNCC3CCO3 AIFCHEM-94567675562 [0,0,0,0,0,2|1,0,0]=3 309 B19R3.22022 c1cc(c2ncncc2c1)CNC[C@@H]3CCO3 AIFCHEM-5846099376 [0,0,0,0,0,2|1,0,0]=3 310 B19R3.22022 c1cc(c2ncncc2c1)CNC[C@H]3CCO3 AIFCHEM-5720683835 [0,0,0,0,0,2|1,0,0]=3 311 B19R3.22022 c1ccc2c(cccc2c1)CNCC3CCC3 AIFCHEM-5698159422 [0,0,0,0,0,2|1,0,0]=3 312 B19R3.22022 c1ccc2c(cncc2c1)CNCC3CCO3 AIFCHEM-94567676141 [0,0,0,0,0,2|2,0,0]=4 313 B19R3.22022 c1ccc2c(cncc2c1)CNC[C@@H]3CCO3 AIFCHEM-5881867449 [0,0,0,0,0,2|2,0,0]=4 314 B19R3.22022 c1ccc2c(cncc2c1)CNC[C@H]3CCO3 AIFCHEM-5695064494 [0,0,0,0,0,2|2,0,0]=4 315 B19R3.22022 c1cnc2c(cccc2c1)CNCC3CCO3 AIFCHEM-94567677156 [0,0,0,0,0,2|1,0,0]=3 316 B19R3.22022 c1cnc2c(cccc2c1)CNC[C@@H]3CCO3 AIFCHEM-5810137040 [0,0,0,0,0,2|1,0,0]=3 317 B19R3.22022 c1cnc2c(cccc2c1)CNC[C@H]3CCO3 AIFCHEM-5754300565 [0,0,0,0,0,2|1,0,0]=3 318 B19R3.19185 c1cc(c2[nH]ccc2c1)CNCC3CCCC3 AIFCHEM-94573913340 [0,0,0,0,0,2|1,0,0]=3 319 B19R3.19185 c1cc(c2[nH]ccc2c1)CNCC3CCOC3 AIFCHEM-5913497402 [0,0,0,0,0,2|1,0,0]=3 320 B19R3.19185 c1cc(c2[nH]ccc2c1)CNC[C@@H]3CCOC3 AIFCHEM-5722724665 [0,0,0,0,0,2|1,0,0]=3 321 B19R3.19185 c1cc(c2[nH]ccc2c1)CNC[C@H]3CCOC3 AIFCHEM-5993102274 [0,0,0,0,0,2|1,0,0]=3 322 B19R3.19185 c1cc(c2[nH]ncc2c1)CNCC3CCOC3 AIFCHEM-5659084415 [0,0,0,0,0,2|2,0,0]=4 323 B19R3.19185 c1cc(c2[nH]ncc2c1)CNC[C@@H]3CCOC3 AIFCHEM-94530319017 [0,0,0,0,0,2|2,0,0]=4 324 B19R3.19185 c1cc(c2[nH]ncc2c1)CNC[C@H]3CCOC3 AIFCHEM-6022362790 [0,0,0,0,0,2|2,0,0]=4 325 B19R3.19185 c1cc(c2cc[nH]c2c1)CNCC3CCOC3 AIFCHEM-5711037514 [0,0,0,0,0,2|2,0,0]=4 326 B19R3.19185 c1cc(c2cc[nH]c2c1)CNC[C@@H]3CCOC3 AIFCHEM-94530316089 [0,0,0,0,0,2|2,0,0]=4 327 B19R3.19185 c1cc(c2cc[nH]c2c1)CNC[C@H]3CCOC3 AIFCHEM-5992457712 [0,0,0,0,0,2|2,0,0]=4 328 B19R3.19185 c1cc(c2ccoc2c1)CNCC3CCCC3 AIFCHEM-94573919589 [0,0,0,0,0,2|2,0,0]=4 329 B19R3.19185 c1cc(c2ccoc2c1)CNCC3CCOC3 AIFCHEM-94565148355 [0,0,0,0,0,2|2,0,0]=4 330 B19R3.19185 c1cc(c2ccoc2c1)CNC[C@@H]3CCOC3 AIFCHEM-94565146235 [0,0,0,0,0,2|2,0,0]=4 331 B19R3.19185 c1cc(c2ccoc2c1)CNC[C@H]3CCOC3 AIFCHEM-94565142822 [0,0,0,0,0,2|2,0,0]=4 332 B19R3.19185 c1cc(c2ccsc2c1)CNCC3CCCC3 AIFCHEM-94573913083 [0,0,0,0,0,2|2,0,0]=4 333 B19R3.19185 c1cc(c2nc[nH]c2c1)CNCC3CCCC3 AIFCHEM-6158504132 [0,0,0,0,0,2|2,0,0]=4 334 B19R3.19185 c1cc(c2nc[nH]c2c1)CNC[C@@H]3CCCO3 AIFCHEM-94573407026 [0,0,0,0,0,2|2,0,0]=4 335 B19R3.19185 c1cc(c2nc[nH]c2c1)CNC[C@H]3CCCO3 AIFCHEM-94552570178 [0,0,0,0,0,2|2,0,0]=4 336 B19R3.19185 c1cc(c2ncsc2c1)CNCC3CCCC3 AIFCHEM-6158637682 [0,0,0,0,0,2|2,0,0]=4 337 B19R3.19185 c1cc(c2ncsc2c1)CNCC3OCCO3 AIFCHEM-5657254591 [0,0,0,0,0,2|2,0,0]=4 338 B19R3.19185 c1cc(c2occc2c1)CNCC3CCCC3 AIFCHEM-6117685407 [0,0,0,0,0,2|0,1,0]=3 339 B19R3.19185 c1cc(c2occc2c1)CNCC3OCCO3 AIFCHEM-5609299766 [0,0,0,0,0,2|0,1,0]=3 340 B19R3.19185 c1cc(c2scnc2c1)CNCC3CCCC3 AIFCHEM-94573914512 [0,0,0,0,0,2|1,0,0]=3 341 B19R3.19185 c1cc(c2scnc2c1)CNC[C@@H]3CCCO3 AIFCHEM-5767815594 [0,0,0,0,0,2|1,0,0]=3 342 B19R3.19185 c1cc(c2scnc2c1)CNC[C@H]3CCCO3 AIFCHEM-5666840165 [0,0,0,0,0,2|1,0,0]=3 343 B19R3.19185 c1cc(n2nccc2c1)CNCC3CCOC3 AIFCHEM-94535544431 [0,0,0,0,0,2|2,0,0]=4 344 B19R3.19185 c1cc(n2nccc2c1)CNC[C@@H]3CCOC3 AIFCHEM-5733775930 [0,0,0,0,0,2|2,0,0]=4