0 B14R2.322 c1c[nH]c(n1)CNCc2ncco2 AIFCHEM-94530884895 [0,0,0,0,0,0|4,0,0]=4 1 B14R2.322 c1cc(on1)CNCc2ncco2 AIFCHEM-5889735091 [0,0,0,0,0,0|3,0,0]=3 2 B14R2.322 c1cc(on1)CNCc2nccs2 AIFCHEM-5891522973 [0,0,0,0,0,0|3,1,0]=4 3 B14R2.322 c1coc(c1)CNCc2ccoc2 AIFCHEM-94594828074 [0,0,0,0,0,0|3,0,0]=3 4 B14R2.322 c1coc(c1)CNCc2cocn2 AIFCHEM-94557345464 [0,0,0,0,0,0|3,0,0]=3 5 B14R2.322 c1coc(c1)CNCc2ncc[nH]2 AIFCHEM-94594823957 [0,0,0,0,0,0|3,0,0]=3 6 B14R2.322 c1coc(c1)CNCc2ncon2 AIFCHEM-94540086402 [0,0,0,0,0,0|4,0,0]=4 7 B14R2.322 c1coc(n1)CNCc2cc[nH]n2 AIFCHEM-94524654886 [0,0,0,0,0,0|4,0,0]=4 8 B14R2.322 c1coc(n1)CNCc2cnco2 AIFCHEM-5975695253 [0,0,0,0,0,0|3,0,0]=3 9 B14R2.322 c1coc(n1)CNCc2cscn2 AIFCHEM-5897138021 [0,0,0,0,0,0|4,0,0]=4 10 B14R2.322 c1csc(n1)CNCc2cnco2 AIFCHEM-5917077919 [0,0,0,0,0,0|3,1,0]=4 11 B14R2.322 c1ncc(o1)CNCc2cnco2 AIFCHEM-94607323849 [0,0,0,0,0,0|3,0,0]=3 12 B14R2.322 c1ncc(o1)CNCc2cncs2 AIFCHEM-94571854565 [0,0,0,0,0,0|3,1,0]=4 13 B14R2.322 c1ncc(o1)CNCc2cscn2 AIFCHEM-94547314432 [0,0,0,0,0,0|4,0,0]=4 14 B15R2.286 Brc1c[nH]c(c1)CNCc2cccs2 AIFCHEM-6162761662 [0,1,0,0,0,0|2,1,0]=4 15 B15R2.286 Brc1cc(on1)CNCc2cnco2 AIFCHEM-94607325810 [0,1,0,0,0,0|3,0,0]=4 16 B15R2.286 Brc1cc(on1)CNCc2ncco2 AIFCHEM-5962481276 [0,1,0,0,0,0|3,0,0]=4 17 B15R2.286 Brc1ccc(o1)CNCc2ccoc2 AIFCHEM-6095262267 [0,1,0,0,0,0|3,0,0]=4 18 B15R2.286 Brc1ccc(o1)CNCc2nccs2 AIFCHEM-94600085095 [0,1,0,0,0,0|2,1,0]=4 19 B15R2.286 Brc1ccc(s1)CNCc2ccco2 AIFCHEM-94557348904 [0,1,0,0,0,0|1,1,0]=3 20 B15R2.286 Brc1coc(c1)CNCc2ccoc2 AIFCHEM-6163471572 [0,1,0,0,0,0|3,0,0]=4 21 B15R2.286 Brc1coc(c1)CNCc2cnco2 AIFCHEM-5817040857 [0,1,0,0,0,0|2,0,0]=3 22 B15R2.286 Brc1coc(c1)CNCc2nccs2 AIFCHEM-94600085440 [0,1,0,0,0,0|2,1,0]=4 23 B15R2.286 Brc1csc(c1)CNCc2cccs2 AIFCHEM-6179687269 [0,1,0,0,0,0|1,2,0]=4 24 B15R2.286 Cc1ccc(o1)CNCc2ccco2 AIFCHEM-94557349777 [0,1,0,0,0,0|1,0,0]=2 25 B15R2.286 Cc1ccc(o1)CNCc2ccon2 AIFCHEM-5776769019 [0,1,0,0,0,0|3,0,0]=4 26 B15R2.286 Cc1ccc(o1)CNCc2cnco2 AIFCHEM-94607328161 [0,1,0,0,0,0|2,0,0]=3 27 B15R2.286 Cc1ccc(o1)CNCc2cncs2 AIFCHEM-5987322772 [0,1,0,0,0,0|2,1,0]=4 28 B15R2.286 Cc1csc(c1)CNCc2ccco2 AIFCHEM-94557349662 [0,1,0,0,0,0|1,1,0]=3 29 B15R2.286 Cc1csc(n1)CNCc2ccco2 AIFCHEM-94540087818 [0,1,0,0,0,0|2,1,0]=4 30 B15R2.286 Cc1nc(co1)CNCc2ccco2 AIFCHEM-94594824402 [0,1,0,0,0,0|3,0,0]=4 31 B15R2.286 Clc1cnc(s1)CNCc2ccco2 AIFCHEM-94594828690 [0,1,0,0,0,0|2,1,0]=4 32 B15R2.286 Clc1csc(c1)CNCc2cnco2 AIFCHEM-94607327876 [0,1,0,0,0,0|2,1,0]=4 33 B15R2.286 Cn1ccc(n1)CNCc2ccco2 AIFCHEM-94594826900 [0,1,0,0,0,0|3,0,0]=4 34 B15R2.286 Ic1ccc(o1)CNCc2ccsc2 AIFCHEM-5909135136 [0,1,0,0,0,0|3,0,0]=4 35 B15R2.286 Ic1ccc(o1)CNCc2cnco2 AIFCHEM-94607326183 [0,1,0,0,0,0|2,0,0]=3 36 B15R2.286 Ic1ccc(o1)CNCc2nccs2 AIFCHEM-94607518628 [0,1,0,0,0,0|2,1,0]=4 37 B15R2.286 Oc1csc(c1)CNCc2ccco2 AIFCHEM-94594827023 [0,1,0,0,0,0|1,1,0]=3 38 B15R2.286 Oc1csc(c1)CNCc2cccs2 AIFCHEM-94571800268 [0,1,0,0,0,0|1,2,0]=4 39 B15R2.286 Oc1csc(c1)CNCc2ncco2 AIFCHEM-94571788611 [0,1,0,0,0,0|2,1,0]=4 40 B15R2.404 Brc1ccoc1CNCc2cccs2 AIFCHEM-94562636154 [0,1,0,0,0,0|1,1,0]=3 41 B15R2.404 Brc1ccoc1CNCc2ccoc2 AIFCHEM-6162433958 [0,1,0,0,0,0|3,0,0]=4 42 B15R2.404 Brc1ccoc1CNCc2ccon2 AIFCHEM-5776777968 [0,1,0,0,0,0|3,0,0]=4 43 B15R2.404 Brc1ccoc1CNCc2nccs2 AIFCHEM-5982705286 [0,1,0,0,0,0|2,1,0]=4 44 B15R2.404 Brc1ccsc1CNCc2ccco2 AIFCHEM-94594830362 [0,1,0,0,0,0|1,1,0]=3 45 B15R2.404 Brc1ccsc1CNCc2cccs2 AIFCHEM-94562641062 [0,1,0,0,0,0|1,2,0]=4 46 B15R2.404 Clc1ccsc1CNCc2ncco2 AIFCHEM-5950902188 [0,1,0,0,0,0|2,1,0]=4 47 B15R2.404 Clc1sccc1CNCc2ccco2 AIFCHEM-94594825355 [0,1,0,0,0,0|3,0,0]=4 48 B15R2.1260 CN(Cc1ccco1)Cc2ccco2 AIFCHEM-94540087490 [0,1,0,0,0,0|1,0,0]=2 49 B15R2.3989 CC(NCc1ccco1)c2cccs2 AIFCHEM-94540089347 [0,1,0,0,0,0|1,1,0]=3 50 B15R2.3989 CC(NCc1cccs1)c2ccco2 AIFCHEM-94562635261 [0,1,0,0,0,0|1,1,0]=3 51 B15R2.3989 CC(NCc1cccs1)c2cccs2 AIFCHEM-5798415430 [0,1,0,0,0,0|1,2,0]=4 52 B15R2.3989 CC(NCc1cnco1)c2ncco2 AIFCHEM-94607328866 [0,1,0,0,0,0|3,0,0]=4 53 B15R2.3989 CC(NCc1cscn1)c2ccco2 AIFCHEM-94520134838 [0,1,0,0,0,0|3,0,0]=4 54 B15R2.3989 C[C@@H](NCc1cc[nH]c1)c2ccco2 AIFCHEM-6016448471 [0,1,0,0,0,0|3,0,0]=4 55 B15R2.3989 C[C@@H](NCc1ccco1)c2cccs2 AIFCHEM-94540084110 [0,1,0,0,0,0|1,1,0]=3 56 B15R2.3989 C[C@@H](NCc1cccs1)c2ccco2 AIFCHEM-6059453454 [0,1,0,0,0,0|1,1,0]=3 57 B15R2.3989 C[C@@H](NCc1cccs1)c2cccs2 AIFCHEM-5816782299 [0,1,0,0,0,0|1,2,0]=4 58 B15R2.3989 C[C@H](NCc1ccco1)c2cccs2 AIFCHEM-94540085185 [0,1,0,0,0,0|1,1,0]=3 59 B15R2.3989 C[C@H](NCc1cccs1)c2cccs2 AIFCHEM-5654477215 [0,1,0,0,0,0|1,2,0]=4 60 B15R2.3989 O=C(NCc1ccco1)c2ccc[nH]2 AIFCHEM-94594837980 [0,1,0,0,0,0|2,0,1]=4 61 B15R2.3989 O=C(NCc1ccco1)c2cccs2 AIFCHEM-94594837179 [0,1,0,0,0,0|1,1,1]=4 62 B15R2.3989 O=C(NCc1ccco1)c2ccno2 AIFCHEM-94594834481 [0,1,0,0,0,0|2,0,1]=4 63 B15R2.3989 O=C(NCc1cnco1)c2ccco2 AIFCHEM-94607338651 [0,1,0,0,0,0|2,0,1]=4 64 B13R2.183 c1coc(c1)CNc2ccon2 AIFCHEM-94540082370 [0,0,0,0,1,0|3,0,0]=4 65 B13R2.183 c1coc(c1)CNc2ccsc2 AIFCHEM-94540084805 [0,0,0,0,1,0|3,0,0]=4 66 B13R2.183 c1coc(c1)CNc2cscn2 AIFCHEM-94540088823 [0,0,0,0,1,0|3,0,0]=4 67 B13R2.183 c1coc(c1)CNc2nnco2 AIFCHEM-94540086488 [0,0,0,0,1,0|3,0,0]=4 68 B13R2.183 c1csc(c1)CNc2ccno2 AIFCHEM-6093456040 [0,0,0,0,1,0|2,1,0]=4 69 B15R2.2194 c1coc(c1)CNCCn2cccn2 AIFCHEM-94540076905 [0,0,0,0,0,1|3,0,0]=4 70 B15R2.2196 c1cc(ccn1)CNCc2ncco2 AIFCHEM-5950361912 [0,0,0,0,0,1|3,0,0]=4 71 B15R2.2196 c1cc(ncn1)CNCc2ccno2 AIFCHEM-5970668688 [0,0,0,0,0,1|3,0,0]=4 72 B15R2.2196 c1cc(ncn1)CNCc2cnco2 AIFCHEM-94607326002 [0,0,0,0,0,1|3,0,0]=4 73 B15R2.2196 c1ccc(cc1)CNCc2cnco2 AIFCHEM-94539145318 [0,0,0,0,0,1|3,0,0]=4 74 B15R2.2196 c1ccc(nc1)CNCc2ccco2 AIFCHEM-94557345273 [0,0,0,0,0,1|2,0,0]=3 75 B15R2.2196 c1cnc(cn1)CNCc2ccno2 AIFCHEM-5913783516 [0,0,0,0,0,1|3,0,0]=4 76 B15R2.2196 c1cnc(nc1)CNCc2ccno2 AIFCHEM-5889744811 [0,0,0,0,0,1|3,0,0]=4 77 B15R2.2196 c1cnc(nc1)CNCc2cnco2 AIFCHEM-94607326217 [0,0,0,0,0,1|3,0,0]=4 78 B15R2.2196 c1cncc(c1)CNCc2ccno2 AIFCHEM-5979293556 [0,0,0,0,0,1|3,0,0]=4 79 B15R2.2196 c1cnnc(c1)CNCc2cccs2 AIFCHEM-94562639436 [0,0,0,0,0,1|2,1,0]=4 80 B15R2.2196 c1csc(c1)CNCc2ccncc2 AIFCHEM-94574671180 [0,0,0,0,0,1|2,1,0]=4 81 B15R2.2196 c1csc(c1)CNCc2ccncn2 AIFCHEM-5699448355 [0,0,0,0,0,1|2,1,0]=4 82 B15R2.2196 c1csc(c1)CNCc2cnccn2 AIFCHEM-94547592409 [0,0,0,0,0,1|2,1,0]=4 83 B14R2.252 Cc1coc(n1)NCc2ccco2 AIFCHEM-94540086223 [0,1,0,0,1,0|2,0,0]=4 84 B14R2.252 Clc1ccc(o1)CNc2ccno2 AIFCHEM-6093269364 [0,1,0,0,1,0|2,0,0]=4 85 B16R2.5768 O=C(Cc1ccco1)NCc2cccs2 AIFCHEM-94562646031 [0,1,0,0,0,1|1,1,0]=4 86 B16R2.5768 O=C(Cc1cccs1)NCc2ccco2 AIFCHEM-94594833970 [0,1,0,0,0,1|1,1,0]=4 87 B16R2.135 Brc1ccc(nc1)CNCc2ccco2 AIFCHEM-94531445132 [0,1,0,0,0,1|2,0,0]=4 88 B16R2.135 Cc1cnc(cn1)CNCc2ccco2 AIFCHEM-94557349062 [0,1,0,0,0,1|2,0,0]=4 89 B16R2.135 Clc1ccc(cc1)CNCc2ccco2 AIFCHEM-94540077240 [0,1,0,0,0,1|2,0,0]=4 90 B16R2.135 Fc1ccc(cn1)CNCc2ccco2 AIFCHEM-94557350087 [0,1,0,0,0,1|2,0,0]=4 91 B16R2.135 O=c1ccc(n[nH]1)CNCc2ccco2 AIFCHEM-94594830378 [0,1,0,0,0,1|2,0,0]=4 92 B16R2.255 Brc1cccc(c1)CNCc2ccco2 AIFCHEM-94594827152 [0,1,0,0,0,1|2,0,0]=4 93 B16R2.255 Clc1cccc(c1)CNCc2ccco2 AIFCHEM-94557349579 [0,1,0,0,0,1|2,0,0]=4 94 B16R2.255 Clc1cccc(n1)CNCc2ccco2 AIFCHEM-94540082957 [0,1,0,0,0,1|2,0,0]=4 95 B16R2.255 Clc1ccnc(c1)CNCc2ccco2 AIFCHEM-94540082665 [0,1,0,0,0,1|2,0,0]=4 96 B16R2.255 Fc1cccc(c1)CNCc2ccco2 AIFCHEM-94594827937 [0,1,0,0,0,1|2,0,0]=4 97 B16R2.255 Ic1cccc(c1)CNCc2ccco2 AIFCHEM-94594829249 [0,1,0,0,0,1|2,0,0]=4 98 B16R2.255 Oc1cc(ccn1)CNCc2ccco2 AIFCHEM-94594826087 [0,1,0,0,0,1|2,0,0]=4 99 B16R2.524 CN(Cc1ccccc1)Cc2ccco2 AIFCHEM-94540080179 [0,1,0,0,0,1|2,0,0]=4 100 B16R2.524 CN(Cc1cccnc1)Cc2ccco2 AIFCHEM-94540083424 [0,1,0,0,0,1|2,0,0]=4 101 B16R2.524 CN(Cc1cnccn1)Cc2ccco2 AIFCHEM-94537399589 [0,1,0,0,0,1|2,0,0]=4 102 B16R2.2238 CC(NCc1ccccn1)c2ccco2 AIFCHEM-5717441792 [0,1,0,0,0,1|2,0,0]=4 103 B16R2.2238 CC(NCc1ncccn1)c2ccco2 AIFCHEM-5817598494 [0,1,0,0,0,1|2,0,0]=4 104 B16R2.2238 C[C@@H](NCc1ncccn1)c2ccco2 AIFCHEM-6075503026 [0,1,0,0,0,1|2,0,0]=4 105 B16R2.2832 Brc1ccc(o1)CNCc2ccccc2 AIFCHEM-94539146892 [0,1,0,0,0,1|2,0,0]=4 106 B16R2.2832 Brc1ccc(o1)CNCc2ncccn2 AIFCHEM-5835998426 [0,1,0,0,0,1|2,0,0]=4 107 B16R2.2832 Ic1ccc(o1)CNCc2ccccc2 AIFCHEM-94539147652 [0,1,0,0,0,1|2,0,0]=4 108 B16R2.2959 Oc1ccccc1CNCc2ccco2 AIFCHEM-94540078736 [0,1,0,0,0,1|2,0,0]=4 109 B16R2.3250 Brc1ccoc1CNCc2ccccc2 AIFCHEM-94539146228 [0,1,0,0,0,1|2,0,0]=4 110 B16R2.2338 CSc1ccc(s1)CNCc2ccco2 AIFCHEM-94557347626 [0,2,0,0,0,0|1,1,0]=4 111 B16R2.2338 N#Cc1ccc(o1)CNCc2ccco2 AIFCHEM-94557348731 [0,2,0,0,0,0|1,0,0]=3 112 B16R2.2338 N#Cc1csc(c1)CNCc2ccco2 AIFCHEM-94604146233 [0,2,0,0,0,0|1,1,0]=4 113 B16R2.2338 OCc1ccc(o1)CNCc2ccco2 AIFCHEM-94594829131 [0,2,0,0,0,0|1,0,0]=3 114 B16R2.2338 OCc1ccc(o1)CNCc2ncco2 AIFCHEM-5917370471 [0,2,0,0,0,0|2,0,0]=4 115 B16R2.2831 Brc1ccc(o1)CNCc2ccc(s2)Br AIFCHEM-6261249588 [0,2,0,0,0,0|1,1,0]=4 116 B16R2.2831 Brc1ccc(s1)CNCc2ccc(o2)I AIFCHEM-6253225836 [0,2,0,0,0,0|1,1,0]=4 117 B16R2.2831 Cc1cc(on1)CNCc2cc(co2)Br AIFCHEM-94596329861 [0,2,0,0,0,0|2,0,0]=4 118 B16R2.2831 Cc1cc(on1)CNCc2ccc(o2)I AIFCHEM-94596330276 [0,2,0,0,0,0|2,0,0]=4 119 B16R2.2831 Cc1ccc(o1)CNCc2cc(cs2)O AIFCHEM-94571792056 [0,2,0,0,0,0|1,1,0]=4 120 B16R2.2831 Cc1ccc(o1)CNCc2ccc(o2)C AIFCHEM-5596121583 [0,2,0,0,0,0|1,0,0]=3 121 B16R2.2831 Cc1ccc(o1)CNCc2ccc(o2)Cl AIFCHEM-5683601621 [0,2,0,0,0,0|1,0,0]=3 122 B16R2.2831 Cc1ccc(s1)CNCc2cc(co2)Br AIFCHEM-94561593025 [0,2,0,0,0,0|1,1,0]=4 123 B16R2.2831 Cc1ccc(s1)CNCc2ccc(o2)I AIFCHEM-5785311402 [0,2,0,0,0,0|1,1,0]=4 124 B16R2.2831 Cc1csc(c1)CNCc2ccc(o2)I AIFCHEM-6046749095 [0,2,0,0,0,0|1,1,0]=4 125 B16R2.2831 Oc1csc(c1)CNCc2cc(co2)Br AIFCHEM-94571794565 [0,2,0,0,0,0|1,1,0]=4 126 B16R2.2831 Oc1csc(c1)CNCc2ccc(o2)Br AIFCHEM-94571793986 [0,2,0,0,0,0|1,1,0]=4 127 B16R2.2840 CC(NCc1ccc(o1)Cl)c2cccs2 AIFCHEM-5878117584 [0,2,0,0,0,0|1,1,0]=4 128 B16R2.2840 C[C@@H](NCc1cc(cs1)O)c2ccco2 AIFCHEM-94571799375 [0,2,0,0,0,0|1,1,0]=4 129 B16R2.2840 C[C@@H](NCc1ccc(o1)I)c2ccco2 AIFCHEM-6075462293 [0,2,0,0,0,0|1,0,0]=3 130 B16R2.2840 C[C@H](NCc1ccc(o1)Cl)c2cccs2 AIFCHEM-5611852832 [0,2,0,0,0,0|1,1,0]=4 131 B16R2.2849 CN(Cc1cc(co1)Br)Cc2cccs2 AIFCHEM-94565034032 [0,2,0,0,0,0|1,1,0]=4 132 B16R2.2849 CN(Cc1ccc(o1)Br)Cc2cccs2 AIFCHEM-94565033687 [0,2,0,0,0,0|1,1,0]=4 133 B16R2.2849 CN(Cc1ccco1)Cc2cc(cs2)O AIFCHEM-94571798850 [0,2,0,0,0,0|1,1,0]=4 134 B16R2.2849 CN(Cc1ccco1)Cc2ccc(o2)I AIFCHEM-94537397871 [0,2,0,0,0,0|1,0,0]=3 135 B16R2.2849 CN(Cc1ccco1)Cc2ccc(s2)Br AIFCHEM-94537398976 [0,2,0,0,0,0|1,1,0]=4 136 B16R2.2849 Cc1ccc(o1)CN(C)Cc2ccco2 AIFCHEM-94537399849 [0,2,0,0,0,0|1,0,0]=3 137 B16R2.2850 Brc1coc(c1)CNCc2sccc2Br AIFCHEM-5866496995 [0,2,0,0,0,0|1,1,0]=4 138 B16R2.2850 Cc1ccc(o1)CNCc2sccc2Br AIFCHEM-5596506802 [0,2,0,0,0,0|1,1,0]=4 139 B16R2.2850 Clc1ccsc1CNCc2cc(co2)Br AIFCHEM-5833919611 [0,2,0,0,0,0|1,1,0]=4 140 B16R2.2850 Clc1ccsc1CNCc2ccc(o2)Br AIFCHEM-6095189112 [0,2,0,0,0,0|1,1,0]=4 141 B16R2.2855 Cc1ccc(s1)[C@H](C)NCc2ccco2 AIFCHEM-94540084703 [0,2,0,0,0,0|1,1,0]=4 142 B16R2.2887 Cc1cc(oc1C)CNCc2cnco2 AIFCHEM-94607327534 [0,2,0,0,0,0|2,0,0]=4 143 B16R2.11830 Cc1cc(c(s1)CNCc2ccco2)Br AIFCHEM-94594827474 [0,2,0,0,0,0|1,1,0]=4 144 B16R2.12056 Brc1csc(c1Br)CNCc2ccco2 AIFCHEM-94594827246 [0,2,0,0,0,0|1,1,0]=4 145 B16R2.3019 Cc1ccsc1CN(C)Cc2ccco2 AIFCHEM-94537399624 [0,2,0,0,0,0|1,1,0]=4