0 B11R1.29 C#CCNC(=O)c1ccc[nH]1 AIFCHEM-94588320324 [0,0,0,0,0,0|2,0,2]=4 1 B11R1.29 C#CCNC(=O)c1ccno1 AIFCHEM-94588316825 [0,0,0,0,0,0|2,0,2]=4 2 B11R1.29 CCCNC(=O)c1cc[nH]n1 AIFCHEM-94576494631 [0,0,0,0,0,0|3,0,0]=3 3 B11R1.29 CCCNC(=O)c1ccco1 AIFCHEM-94521381097 [0,0,0,0,0,0|1,0,0]=1 4 B11R1.29 CCCNC(=O)c1ccno1 AIFCHEM-5791444319 [0,0,0,0,0,0|2,0,0]=2 5 B11R1.29 CCCNC(=O)c1cncs1 AIFCHEM-5791023939 [0,0,0,0,0,0|2,1,0]=3 6 B11R1.29 CCCNC(=O)c1cnsc1 AIFCHEM-5793127516 [0,0,0,0,0,0|4,0,0]=4 7 B11R1.29 CCCNC(=O)c1cnsn1 AIFCHEM-94521374040 [0,0,0,0,0,0|4,0,0]=4 8 B11R1.29 CCCNC(=O)c1nccs1 AIFCHEM-94521374375 [0,0,0,0,0,0|2,1,0]=3 9 B11R1.29 CCCNC(C)c1ncco1 AIFCHEM-94521371312 [0,0,0,0,0,0|3,0,1]=4 10 B11R1.29 O=C(NCCF)c1cc[nH]c1 AIFCHEM-5801854197 [0,0,0,0,0,0|4,0,0]=4 11 B11R1.29 O=C(NCCF)c1ccc[nH]1 AIFCHEM-5802205843 [0,0,0,0,0,0|3,0,0]=3 12 B10R1.11 CCN[C@H](C)c1ccco1 AIFCHEM-94537422471 [1,0,0,0,0,0|2,0,1]=4 13 B10R1.21 CCCC=Cc1cccs1 AIFCHEM-94564040480 [1,0,0,0,0,0|0,1,1]=3 14 B10R1.21 CCCC=Cc1ncco1 AIFCHEM-6486072646 [1,0,0,0,0,0|1,0,1]=3 15 B10R1.21 CCCCNc1ccon1 AIFCHEM-94523033139 [1,0,0,0,0,0|3,0,0]=4 16 B10R1.21 CCCCNc1ccsc1 AIFCHEM-94523038276 [1,0,0,0,0,0|3,0,0]=4 17 B10R1.21 CCCCNc1ncco1 AIFCHEM-94523038147 [1,0,0,0,0,0|2,0,0]=3 18 B10R1.21 CCCCNc1nccs1 AIFCHEM-94524283831 [1,0,0,0,0,0|2,1,0]=4 19 B10R1.21 CCCNCc1ccno1 AIFCHEM-94569018772 [1,0,0,0,0,0|2,0,1]=4 20 B10R1.21 CCCNCc1cnco1 AIFCHEM-94521366295 [1,0,0,0,0,0|2,0,1]=4 21 B10R1.21 CCOC=Cc1cccs1 AIFCHEM-6452818854 [1,0,0,0,0,0|1,1,1]=4 22 B12R1.15 CC(CF)NC(=O)c1cccs1 AIFCHEM-6106998990 [0,1,0,0,0,0|2,1,0]=4 23 B12R1.15 CC(CF)NC(=O)c1ccno1 AIFCHEM-6107195012 [0,1,0,0,0,0|3,0,0]=4 24 B12R1.15 CC(CF)NC(=O)c1cnco1 AIFCHEM-6129596585 [0,1,0,0,0,0|3,0,0]=4 25 B12R1.15 C[C@@H](CF)NC(=O)c1cccs1 AIFCHEM-6055687865 [0,1,0,0,0,0|2,1,0]=4 26 B12R1.15 C[C@@H](CF)NC(=O)c1ccno1 AIFCHEM-6034344591 [0,1,0,0,0,0|3,0,0]=4 27 B12R1.15 C[C@@H](CF)NC(=O)c1cnco1 AIFCHEM-6086660337 [0,1,0,0,0,0|3,0,0]=4 28 B12R1.15 C[C@H](CF)NC(=O)c1cccs1 AIFCHEM-6111208839 [0,1,0,0,0,0|2,1,0]=4 29 B12R1.15 C[C@H](CF)NC(=O)c1cnco1 AIFCHEM-6111690675 [0,1,0,0,0,0|3,0,0]=4 30 B12R1.29 CCCNC(=O)c1cc([nH]n1)Cl AIFCHEM-94521381113 [0,1,0,0,0,0|3,0,0]=4 31 B12R1.29 CCCNC(=O)c1cc(c[nH]1)F AIFCHEM-5793711670 [0,1,0,0,0,0|2,0,0]=3 32 B12R1.29 CCCNC(=O)c1cc(cs1)Br AIFCHEM-94521375097 [0,1,0,0,0,0|1,1,0]=3 33 B12R1.29 CCCNC(=O)c1cc(cs1)Cl AIFCHEM-5791053990 [0,1,0,0,0,0|1,1,0]=3 34 B12R1.29 CCCNC(=O)c1cc(no1)C AIFCHEM-5791651388 [0,1,0,0,0,0|2,0,0]=3 35 B12R1.29 CCCNC(=O)c1csc(n1)C AIFCHEM-94521377747 [0,1,0,0,0,0|3,0,0]=4 36 B12R1.29 CCCNC(=O)c1ncc(s1)Br AIFCHEM-94521381803 [0,1,0,0,0,0|2,1,0]=4 37 B12R1.29 O=C(NCCF)c1cc(cs1)Br AIFCHEM-5853977005 [0,1,0,0,0,0|2,1,0]=4 38 B12R1.29 O=C(NCCF)c1ccc(o1)Cl AIFCHEM-5861864565 [0,1,0,0,0,0|2,0,0]=3 39 B12R1.29 O=C(NCCF)c1ccc(s1)I AIFCHEM-5801410356 [0,1,0,0,0,0|2,1,0]=4 40 B12R1.35 C#CCCNC(=O)c1cccs1 AIFCHEM-6065914358 [0,1,0,0,0,0|0,1,2]=4 41 B12R1.35 CCCCNC(=O)c1c[nH]cn1 AIFCHEM-5736589410 [0,1,0,0,0,0|2,0,0]=3 42 B12R1.35 CCCCNC(=O)c1cc[nH]c1 AIFCHEM-94570985296 [0,1,0,0,0,0|2,0,0]=3 43 B12R1.35 CCCCNC(=O)c1nc[nH]n1 AIFCHEM-94570982292 [0,1,0,0,0,0|3,0,0]=4 44 B12R1.35 COCCNC(=O)c1ccn[nH]1 AIFCHEM-6039137312 [0,1,0,0,0,0|3,0,0]=4 45 B12R1.35 COCCNC(=O)c1ccoc1 AIFCHEM-6016830800 [0,1,0,0,0,0|3,0,0]=4 46 B12R1.35 COCCNC(=O)c1cncs1 AIFCHEM-5990597662 [0,1,0,0,0,0|2,1,0]=4 47 B12R1.35 COCCNC(=O)c1cscn1 AIFCHEM-6039137308 [0,1,0,0,0,0|3,0,0]=4 48 B12R1.35 CSCCNC(=O)c1c[nH]cn1 AIFCHEM-5813808251 [0,1,0,0,0,0|3,0,0]=4 49 B12R1.35 CSCCNC(=O)c1cc[nH]c1 AIFCHEM-94598934371 [0,1,0,0,0,0|3,0,0]=4 50 B12R1.35 CSCCNC(=O)c1ccno1 AIFCHEM-94598929002 [0,1,0,0,0,0|2,0,0]=3 51 B12R1.35 CSCCNC(=O)c1ccns1 AIFCHEM-94598925299 [0,1,0,0,0,0|2,1,0]=4 52 B12R1.35 N#CCCNC(=O)c1ccc[nH]1 AIFCHEM-5695111198 [0,1,0,0,0,0|2,0,1]=4 53 B12R1.35 N#CCCNC(=O)c1cccs1 AIFCHEM-5717948296 [0,1,0,0,0,0|1,1,1]=4 54 B12R1.35 N#CCCNC(=O)c1ccno1 AIFCHEM-5754129216 [0,1,0,0,0,0|2,0,1]=4 55 B12R1.54 CC(=O)CNC(=O)c1cnco1 AIFCHEM-6058146044 [0,1,0,0,0,0|2,0,1]=4 56 B12R1.54 CC(C)CNC(=O)c1cc[nH]c1 AIFCHEM-94563734593 [0,1,0,0,0,0|3,0,0]=4 57 B12R1.54 CC(C)CNC(=O)c1ccco1 AIFCHEM-6162410015 [0,1,0,0,0,0|1,0,0]=2 58 B12R1.54 CC(C)CNC(=O)c1ccns1 AIFCHEM-6145463014 [0,1,0,0,0,0|2,1,0]=4 59 B12R1.54 CC(C)CNC(=O)c1ccon1 AIFCHEM-6145008524 [0,1,0,0,0,0|3,0,0]=4 60 B12R1.54 O=C(NCC(F)F)c1ccc[nH]1 AIFCHEM-6068432263 [0,1,0,0,0,0|3,0,0]=4 61 B12R1.55 CCCN(C)C(=O)c1ccc[nH]1 AIFCHEM-5809442663 [0,1,0,0,0,0|2,0,0]=3 62 B12R1.55 CCCN(C)C(=O)c1ccno1 AIFCHEM-5825307865 [0,1,0,0,0,0|2,0,0]=3 63 B12R1.460 CCCNC(=O)c1[nH]ncc1Br AIFCHEM-94600186539 [0,1,0,0,0,0|3,0,0]=4 64 B12R1.460 CCCNC(=O)c1ccoc1C AIFCHEM-94521380072 [0,1,0,0,0,0|3,0,0]=4 65 B12R1.460 CCCNC(=O)c1ccsc1Br AIFCHEM-94521376701 [0,1,0,0,0,0|3,0,0]=4 66 B12R1.460 CCCNC(=O)c1cncn1C AIFCHEM-94521378238 [0,1,0,0,0,0|3,0,0]=4 67 B12R1.460 CCCNC(=O)c1cscc1Br AIFCHEM-5791819966 [0,1,0,0,0,0|3,0,0]=4 68 B12R1.460 CCCNC(=O)c1n[nH]cc1I AIFCHEM-94555982634 [0,1,0,0,0,0|3,0,0]=4 69 B12R1.460 CCCNC(=O)c1ncoc1C AIFCHEM-94521372603 [0,1,0,0,0,0|3,0,0]=4 70 B12R1.460 O=C(NCCF)c1[nH]ccc1F AIFCHEM-5871279543 [0,1,0,0,0,0|3,0,0]=4 71 B12R1.460 O=C(NCCF)c1sccc1Cl AIFCHEM-5801924455 [0,1,0,0,0,0|2,1,0]=4 72 B12R2.2 C1=C(CCCC1)c2ccns2 AIFCHEM-6422772318 [0,0,0,1,0,0|2,1,0]=4 73 B12R2.2 C1=C(CCCC1)c2cscn2 AIFCHEM-6374001974 [0,0,0,1,0,0|3,0,0]=4 74 B12R2.2 C1=C(CCNC1)c2cnco2 AIFCHEM-6326109418 [0,0,0,1,0,0|3,0,0]=4 75 B12R2.2 C1=C(CCOC1)c2ccco2 AIFCHEM-94557631881 [0,0,0,1,0,0|2,0,0]=3 76 B12R2.2 C1=C(CCSC1)c2cccs2 AIFCHEM-6416099053 [0,0,0,1,0,0|2,1,0]=4 77 B12R2.2 C1=C(OCCC1)c2cnco2 AIFCHEM-6302118777 [0,0,0,1,0,0|1,0,2]=4 78 B12R2.2074 O=C(NC1CC1)c2cccs2 AIFCHEM-94573325558 [0,0,0,1,0,0|1,1,0]=3 79 B12R2.2074 O=C(NC1CC1)c2ccn[nH]2 AIFCHEM-6133486076 [0,0,0,1,0,0|3,0,0]=4 80 B12R2.2074 O=C(NC1CC1)c2ccsc2 AIFCHEM-94573327724 [0,0,0,1,0,0|3,0,0]=4 81 B12R2.2074 O=C(NC1CC1)c2cncs2 AIFCHEM-94573321177 [0,0,0,1,0,0|2,1,0]=4 82 B12R2.2074 O=C(NC1CC1)c2cscn2 AIFCHEM-6186113677 [0,0,0,1,0,0|3,0,0]=4 83 B12R2.3797 O=C(c1ccco1)N2CCC2 AIFCHEM-6079219701 [0,0,0,1,0,0|1,0,0]=2 84 B12R2.3797 O=C(c1ncc[nH]1)N2CCC2 AIFCHEM-94604927801 [0,0,0,1,0,0|3,0,0]=4 85 B12R1.30 CCCCN(C)c1ccncc1 AIFCHEM-94523028571 [0,0,0,0,0,1|3,0,0]=4 86 B12R1.30 CCCNC(=O)c1ccccc1 AIFCHEM-94565582226 [0,0,0,0,0,1|2,0,0]=3 87 B12R1.30 CCCNC(=O)c1cncnc1 AIFCHEM-5793656241 [0,0,0,0,0,1|3,0,0]=4 88 B12R1.53 CCCCC(=O)NC1CC=CC1 AIFCHEM-94534112457 [0,0,0,0,0,1|1,0,2]=4 89 B12R1.53 CCCCC(=O)Nc1cnns1 AIFCHEM-94534107880 [0,0,0,0,0,1|2,1,0]=4 90 B12R1.53 CCCCC(=O)Nc1cnoc1 AIFCHEM-94534100213 [0,0,0,0,0,1|3,0,0]=4 91 B12R1.53 CCCCC(=O)Nc1nnco1 AIFCHEM-94534107517 [0,0,0,0,0,1|2,0,0]=3 92 B12R1.53 CCCCN(C)Cc1cccs1 AIFCHEM-94523041299 [0,0,0,0,0,1|2,1,0]=4 93 B12R1.53 CCCNC(=O)Cc1cccs1 AIFCHEM-5791342008 [0,0,0,0,0,1|1,1,0]=3 94 B12R1.53 CCCNC(=O)Cc1cnc[nH]1 AIFCHEM-5791148753 [0,0,0,0,0,1|3,0,0]=4 95 B12R1.53 CCOCC(=O)Nc1ccno1 AIFCHEM-6093557020 [0,0,0,0,0,1|2,0,0]=3 96 B12R1.53 CCOCC(=O)Nc1ncco1 AIFCHEM-6262779960 [0,0,0,0,0,1|2,0,0]=3 97 B12R1.53 CCOCC(=O)Nc1nnco1 AIFCHEM-6246370300 [0,0,0,0,0,1|3,0,0]=4 98 B12R1.53 CCSCC(=O)Nc1ccn[nH]1 AIFCHEM-94580211169 [0,0,0,0,0,1|3,0,0]=4 99 B12R1.53 CSCCC(=O)Nc1ccn[nH]1 AIFCHEM-94519999040 [0,0,0,0,0,1|3,0,0]=4 100 B12R1.53 CSCCC(=O)Nc1ccon1 AIFCHEM-6115879398 [0,0,0,0,0,1|3,0,0]=4 101 B12R1.53 CSCCC(=O)Nc1cncs1 AIFCHEM-94535773412 [0,0,0,0,0,1|2,1,0]=4 102 B12R1.53 CSCCC(=O)Nc1nnco1 AIFCHEM-6227208455 [0,0,0,0,0,1|3,0,0]=4 103 B12R1.53 CSCCN(C)Cc1ccco1 AIFCHEM-94540093248 [0,0,0,0,0,1|3,0,0]=4 104 B12R1.53 O=C(Cc1ccc[nH]1)NCCF AIFCHEM-94593335629 [0,0,0,0,0,1|3,0,0]=4 105 B9R1.11 C/C=C(\C)/c1ccco1 AIFCHEM-94584220027 [2,0,0,0,0,0|1,0,1]=4 106 B9R1.12 CCNCc1ccco1 AIFCHEM-94594829503 [2,0,0,0,0,0|1,0,0]=3 107 B11R1.31 CCN(C)C(=O)c1ccno1 AIFCHEM-94563265319 [1,1,0,0,0,0|2,0,0]=4 108 B11R1.77 CC(C)NC(=O)c1ccc[nH]1 AIFCHEM-94520550346 [1,1,0,0,0,0|2,0,0]=4 109 B11R1.4 CCCCC=Cc1ccoc1 AIFCHEM-6202894001 [1,1,0,0,0,0|2,0,0]=4 110 B11R1.4 CCCCC=Cc1ccon1 AIFCHEM-6444523912 [1,1,0,0,0,0|2,0,0]=4 111 B11R1.4 CCCCNCc1cccs1 AIFCHEM-94523039677 [1,1,0,0,0,0|0,1,1]=4 112 B11R1.4 CCCCNCc1ncco1 AIFCHEM-94523028020 [1,1,0,0,0,0|1,0,1]=4 113 B11R1.27 CCCNCc1ccc(o1)I AIFCHEM-94521368629 [1,1,0,0,0,0|1,0,1]=4 114 B13R1.17 CCCNC(=O)c1ccc(cc1)Cl AIFCHEM-94519630974 [0,1,0,0,0,1|2,0,0]=4 115 B13R1.17 CCCNC(=O)c1ccc(cc1)O AIFCHEM-94521381894 [0,1,0,0,0,1|2,0,0]=4 116 B13R1.17 CCCNC(=O)c1ccc(cn1)Br AIFCHEM-94521377355 [0,1,0,0,0,1|2,0,0]=4 117 B13R1.17 CCCNC(=O)c1ccc(nn1)C AIFCHEM-94521379793 [0,1,0,0,0,1|2,0,0]=4 118 B13R1.17 CCCNC(=O)c1ccc(nn1)O AIFCHEM-94521377951 [0,1,0,0,0,1|2,0,0]=4 119 B13R1.17 CCCNC(=O)c1cnc(cn1)C AIFCHEM-5815574386 [0,1,0,0,0,1|2,0,0]=4 120 B13R1.18 CCCNC(=O)c1cc(=O)cco1 AIFCHEM-5815138351 [0,1,0,0,0,1|1,0,0]=3 121 B13R1.18 CCCNC(=O)c1cccc(=O)[nH]1 AIFCHEM-5791081821 [0,1,0,0,0,1|2,0,0]=4 122 B13R1.18 CCCNC(=O)c1cccc(c1)Br AIFCHEM-5793005127 [0,1,0,0,0,1|2,0,0]=4 123 B13R1.18 CCCNC(=O)c1cccc(c1)Cl AIFCHEM-94521379007 [0,1,0,0,0,1|2,0,0]=4 124 B13R1.18 CCCNC(=O)c1cccc(c1)O AIFCHEM-94521381883 [0,1,0,0,0,1|2,0,0]=4 125 B13R1.18 CCCNC(=O)c1ccnc(n1)C AIFCHEM-5853908792 [0,1,0,0,0,1|2,0,0]=4 126 B13R1.18 CCCNC(=O)c1cncc(n1)Br AIFCHEM-94521373258 [0,1,0,0,0,1|2,0,0]=4 127 B13R1.18 O=C(NCCF)c1cc(=O)cco1 AIFCHEM-5800886035 [0,1,0,0,0,1|2,0,0]=4 128 B13R1.24 CCCCNC(=O)c1ccnnc1 AIFCHEM-5695722382 [0,1,0,0,0,1|2,0,0]=4 129 B13R1.24 COCCNC(=O)c1ccccn1 AIFCHEM-94578913846 [0,1,0,0,0,1|2,0,0]=4 130 B13R1.45 CC(C)CNC(=O)c1cccnc1 AIFCHEM-6179646778 [0,1,0,0,0,1|2,0,0]=4 131 B13R1.45 CC(C)CNC(=O)c1ccncn1 AIFCHEM-6146598324 [0,1,0,0,0,1|2,0,0]=4 132 B13R1.45 CC(C)CNC(=O)c1cnccn1 AIFCHEM-94563734852 [0,1,0,0,0,1|2,0,0]=4 133 B13R1.47 CCCN(C)C(=O)c1ccccc1 AIFCHEM-94565582921 [0,1,0,0,0,1|2,0,0]=4 134 B13R1.47 CCCN(C)C(=O)c1cccnc1 AIFCHEM-5809080333 [0,1,0,0,0,1|2,0,0]=4 135 B13R1.47 CCCN(C)C(=O)c1cccnn1 AIFCHEM-5825573475 [0,1,0,0,0,1|2,0,0]=4 136 B13R1.47 CCCN(C)C(=O)c1ccncc1 AIFCHEM-5802856802 [0,1,0,0,0,1|2,0,0]=4 137 B13R1.47 CCCN(C)C(=O)c1cnccn1 AIFCHEM-5802423192 [0,1,0,0,0,1|2,0,0]=4 138 B13R1.47 CCCN(C)C(=O)c1ncccn1 AIFCHEM-5802322682 [0,1,0,0,0,1|2,0,0]=4 139 B13R1.674 CCCNC(=O)c1ccncc1Br AIFCHEM-94521374318 [0,1,0,0,0,1|2,0,0]=4 140 B13R1.674 CCCNC(=O)c1ccncc1C AIFCHEM-94521378134 [0,1,0,0,0,1|2,0,0]=4 141 B13R1.674 CCCNC(=O)c1ncccc1C AIFCHEM-94596772774 [0,1,0,0,0,1|2,0,0]=4 142 B13R1.674 CCCNC(=O)c1ncccc1I AIFCHEM-5790824832 [0,1,0,0,0,1|2,0,0]=4 143 B13R1.674 CCCNC(=O)c1nccnc1C AIFCHEM-5853871017 [0,1,0,0,0,1|2,0,0]=4 144 B13R1.43 CCCCC(=O)Nc1cc(ns1)C AIFCHEM-94606966682 [0,1,0,0,0,1|1,1,0]=4 145 B13R1.43 CCCCC(=O)Nc1nc(co1)C AIFCHEM-94534107300 [0,1,0,0,0,1|1,0,0]=3 146 B13R1.43 CCCCC(=O)Nc1nc(cs1)Cl AIFCHEM-94534108679 [0,1,0,0,0,1|1,1,0]=4 147 B13R1.43 CCOCC(=O)Nc1ccc(s1)C AIFCHEM-6274220673 [0,1,0,0,0,1|1,1,0]=4 148 B13R1.43 CCSCC(=O)Nc1ccc(s1)C AIFCHEM-94580217628 [0,1,0,0,0,1|1,1,0]=4 149 B13R1.66 CCCC(C)C(=O)Nc1ccsc1 AIFCHEM-94568877288 [0,1,0,0,0,1|2,0,0]=4 150 B13R1.66 CCCC(C)C(=O)Nc1cncs1 AIFCHEM-5591635634 [0,1,0,0,0,1|1,1,0]=4 151 B13R1.66 CCOC(C)C(=O)Nc1ncco1 AIFCHEM-6235991942 [0,1,0,0,0,1|2,0,0]=4 152 B13R1.156 CCCCCN(C)Cc1ccco1 AIFCHEM-94537394947 [0,1,0,0,0,1|2,0,0]=4 153 B13R1.156 CCCCNC(=O)Cc1cnc[nH]1 AIFCHEM-5751725380 [0,1,0,0,0,1|2,0,0]=4 154 B13R1.156 CCCOCC(=O)Nc1ccn[nH]1 AIFCHEM-94519998317 [0,1,0,0,0,1|2,0,0]=4 155 B13R1.156 CCCOCC(=O)Nc1ccsc1 AIFCHEM-94568874532 [0,1,0,0,0,1|2,0,0]=4 156 B13R1.156 CCCOCC(=O)Nc1nnco1 AIFCHEM-6227570993 [0,1,0,0,0,1|2,0,0]=4 157 B13R1.156 COCCNC(=O)Cc1ccc[nH]1 AIFCHEM-94593327613 [0,1,0,0,0,1|2,0,0]=4 158 B13R1.156 COCCNC(=O)Cc1cccs1 AIFCHEM-6039593040 [0,1,0,0,0,1|1,1,0]=4 159 B13R1.344 CC(C)CCC(=O)Nc1ncc[nH]1 AIFCHEM-5627857229 [0,1,0,0,0,1|2,0,0]=4 160 B13R1.344 CC(C)CNC(=O)Cc1ccc[nH]1 AIFCHEM-94563733602 [0,1,0,0,0,1|2,0,0]=4 161 B13R1.344 O=C(CCC(F)F)Nc1ncco1 AIFCHEM-6275007205 [0,1,0,0,0,1|2,0,0]=4 162 B13R1.545 CCC(C)CC(=O)Nc1ccn[nH]1 AIFCHEM-5978537871 [0,1,0,0,0,1|2,0,0]=4 163 B13R1.545 CCC(C)CC(=O)Nc1nnco1 AIFCHEM-6227634066 [0,1,0,0,0,1|2,0,0]=4 164 B13R1.545 CC[C@H](C)CC(=O)Nc1ccn[nH]1 AIFCHEM-94519994490 [0,1,0,0,0,1|2,0,0]=4 165 B13R1.545 CC[C@H](C)CC(=O)Nc1nccs1 AIFCHEM-94590874101 [0,1,0,0,0,1|1,1,0]=4 166 B13R1.545 CC[C@H](C)CC(=O)Nc1nnco1 AIFCHEM-6202378517 [0,1,0,0,0,1|2,0,0]=4 167 B13R1.686 CCCCC(=O)Nc1n[nH]cc1Br AIFCHEM-94534103898 [0,1,0,0,0,1|2,0,0]=4 168 B13R1.33 CCCC(C)NC(=O)c1ccco1 AIFCHEM-94560485059 [0,2,0,0,0,0|0,0,0]=2 169 B13R1.33 CCCC(C)NC(=O)c1cncs1 AIFCHEM-94560478511 [0,2,0,0,0,0|1,1,0]=4 170 B13R1.33 CCCC(C)NC(=O)c1nccs1 AIFCHEM-94560478337 [0,2,0,0,0,0|1,1,0]=4 171 B13R1.33 CCC[C@@H](C)NC(=O)c1ccco1 AIFCHEM-6081762490 [0,2,0,0,0,0|0,0,0]=2 172 B13R1.33 CCC[C@@H](C)NC(=O)c1cncs1 AIFCHEM-6032397654 [0,2,0,0,0,0|1,1,0]=4 173 B13R1.33 CCC[C@@H](C)NC(=O)c1nccs1 AIFCHEM-6081794209 [0,2,0,0,0,0|1,1,0]=4 174 B13R1.33 CCC[C@H](C)NC(=O)c1ccco1 AIFCHEM-5614005860 [0,2,0,0,0,0|0,0,0]=2 175 B13R1.33 CCC[C@H](C)NC(=O)c1cncs1 AIFCHEM-5613951980 [0,2,0,0,0,0|1,1,0]=4 176 B13R1.33 CCC[C@H](C)NC(=O)c1nccs1 AIFCHEM-5683660202 [0,2,0,0,0,0|1,1,0]=4 177 B13R1.33 COCC(C)NC(=O)c1ccno1 AIFCHEM-6068272973 [0,2,0,0,0,0|2,0,0]=4 178 B13R1.33 COC[C@@H](C)NC(=O)c1ccno1 AIFCHEM-94601271183 [0,2,0,0,0,0|2,0,0]=4 179 B13R1.33 COC[C@H](C)NC(=O)c1ccno1 AIFCHEM-94572805882 [0,2,0,0,0,0|2,0,0]=4 180 B13R1.65 CCC(CC)NC(=O)c1ccc[nH]1 AIFCHEM-5744990757 [0,2,0,0,0,0|2,0,0]=4 181 B13R1.65 CCC(CC)NC(=O)c1ccco1 AIFCHEM-5752161467 [0,2,0,0,0,0|1,0,0]=3 182 B13R1.65 CCC(CC)NC(=O)c1cccs1 AIFCHEM-5752676832 [0,2,0,0,0,0|1,1,0]=4 183 B13R1.83 CCC(C)N(C)C(=O)c1cccs1 AIFCHEM-6242032042 [0,2,0,0,0,0|1,1,0]=4 184 B13R1.251 CCC(C)(C)NC(=O)c1ccc[nH]1 AIFCHEM-5658342457 [0,2,0,0,0,0|2,0,0]=4 185 B13R1.251 CCC(C)(C)NC(=O)c1cnco1 AIFCHEM-5616296253 [0,2,0,0,0,0|2,0,0]=4 186 B13R1.339 CC(C)C(C)NC(=O)c1ccno1 AIFCHEM-6190885005 [0,2,0,0,0,0|2,0,0]=4 187 B13R1.339 CC(C)[C@@H](C)NC(=O)c1ccno1 AIFCHEM-94576827729 [0,2,0,0,0,0|2,0,0]=4 188 B13R1.23 C#CCCNC(=O)c1ccc(o1)Br AIFCHEM-6065862270 [0,2,0,0,0,0|0,0,2]=4 189 B13R1.23 C#CCCNC(=O)c1ccc(o1)C AIFCHEM-5991957910 [0,2,0,0,0,0|0,0,2]=4 190 B13R1.23 CC#CCNC(=O)c1ccc(o1)Cl AIFCHEM-5719681067 [0,2,0,0,0,0|0,0,2]=4 191 B13R1.23 CCCCNC(=O)c1cc(c[nH]1)Cl AIFCHEM-94570980802 [0,2,0,0,0,0|1,0,0]=3 192 B13R1.23 CCCCNC(=O)c1cc(cs1)Br AIFCHEM-94570978792 [0,2,0,0,0,0|0,1,0]=3 193 B13R1.23 CCCCNC(=O)c1cc(n[nH]1)Br AIFCHEM-94545111851 [0,2,0,0,0,0|2,0,0]=4 194 B13R1.23 CCCCNC(=O)c1cc(no1)Br AIFCHEM-94570983572 [0,2,0,0,0,0|1,0,0]=3 195 B13R1.23 CCCCNC(=O)c1cnc(o1)C AIFCHEM-5745130216 [0,2,0,0,0,0|1,0,0]=3 196 B13R1.23 CCCCNC(=O)c1csc(c1)C AIFCHEM-94570979405 [0,2,0,0,0,0|2,0,0]=4 197 B13R1.23 CCCCNC(=O)c1nc(c[nH]1)C AIFCHEM-5746018181 [0,2,0,0,0,0|2,0,0]=4 198 B13R1.23 CCCCN[C@H](C)c1ccc(o1)C AIFCHEM-94523034443 [0,2,0,0,0,0|1,0,1]=4 199 B13R1.23 COCCNC(=O)c1cc(c[nH]1)Cl AIFCHEM-6016731531 [0,2,0,0,0,0|2,0,0]=4 200 B13R1.23 COCCNC(=O)c1cc(co1)Br AIFCHEM-6048848122 [0,2,0,0,0,0|1,0,0]=3 201 B13R1.23 COCCNC(=O)c1ccc([nH]1)C AIFCHEM-6058445756 [0,2,0,0,0,0|2,0,0]=4 202 B13R1.23 COCCNC(=O)c1ccc(s1)I AIFCHEM-5991222934 [0,2,0,0,0,0|1,1,0]=4 203 B13R1.23 CSCCNC(=O)c1cc(cs1)Br AIFCHEM-94598927867 [0,2,0,0,0,0|1,1,0]=4 204 B13R1.23 CSCCNC(=O)c1cc(no1)O AIFCHEM-5875040486 [0,2,0,0,0,0|2,0,0]=4 205 B13R1.23 CSCCNC(=O)c1ccc(s1)Br AIFCHEM-5874875674 [0,2,0,0,0,0|1,1,0]=4 206 B13R1.46 CCCN(C)C(=O)c1cc(c[nH]1)C AIFCHEM-5802179107 [0,2,0,0,0,0|2,0,0]=4 207 B13R1.46 CCCN(C)C(=O)c1cc(co1)Br AIFCHEM-5802903842 [0,2,0,0,0,0|1,0,0]=3 208 B13R1.46 CCCN(C)C(=O)c1cc(cs1)Cl AIFCHEM-5809024615 [0,2,0,0,0,0|1,1,0]=4 209 B13R1.46 CCCN(C)C(=O)c1ccc(s1)Br AIFCHEM-5809143708 [0,2,0,0,0,0|1,1,0]=4 210 B13R1.129 CC(=O)CNC(=O)c1ccc(o1)Br AIFCHEM-6074916580 [0,2,0,0,0,0|1,0,1]=4 211 B13R1.129 O=C(NCC(F)F)c1ccc(o1)Br AIFCHEM-5988550707 [0,2,0,0,0,0|2,0,0]=4 212 B13R1.680 CCCNC(=O)c1cc(cn1C)Br AIFCHEM-94521381054 [0,2,0,0,0,0|2,0,0]=4 213 B13R1.680 CCCNC(=O)c1sc(cc1Br)C AIFCHEM-5791406365 [0,2,0,0,0,0|1,1,0]=4 214 B13R1.681 CCCNC(=O)c1cc(c(s1)Br)O AIFCHEM-94521377190 [0,2,0,0,0,0|1,1,0]=4 215 B13R1.2505 CCCNC(=O)c1scc(c1C)C AIFCHEM-5853575476 [0,2,0,0,0,0|1,1,0]=4 216 B13R1.48 C#CCCCNC(=O)c1ccc[nH]1 AIFCHEM-5770225730 [0,2,0,0,0,0|1,0,1]=4 217 B13R1.48 C#CCCCNC(=O)c1cccs1 AIFCHEM-94570160760 [0,2,0,0,0,0|0,1,1]=4 218 B13R1.48 CCCCCNC(=O)c1ccc[nH]1 AIFCHEM-94552831413 [0,2,0,0,0,0|1,0,0]=3 219 B13R1.48 CCCCCNC(=O)c1ccoc1 AIFCHEM-94522662700 [0,2,0,0,0,0|2,0,0]=4 220 B13R1.48 CCCCCNC(=O)c1ncc[nH]1 AIFCHEM-94552826623 [0,2,0,0,0,0|2,0,0]=4 221 B13R1.48 CCCCCNC(=O)c1nccs1 AIFCHEM-94522658493 [0,2,0,0,0,0|1,1,0]=4 222 B13R1.48 CCOCCNC(=O)c1cc[nH]c1 AIFCHEM-94548618342 [0,2,0,0,0,0|2,0,0]=4 223 B13R1.48 CCOCCNC(=O)c1ccno1 AIFCHEM-94548612973 [0,2,0,0,0,0|1,0,0]=3 224 B13R1.48 CCOCCNC(=O)c1cnco1 AIFCHEM-94548609967 [0,2,0,0,0,0|1,0,0]=3 225 B13R1.48 CCSCCNC(=O)c1ccc[nH]1 AIFCHEM-6034096054 [0,2,0,0,0,0|1,0,0]=3 226 B13R1.48 CCSCCNC(=O)c1cccs1 AIFCHEM-6033782386 [0,2,0,0,0,0|0,1,0]=3 227 B13R1.48 CCSCCNC(=O)c1ccn[nH]1 AIFCHEM-6033315816 [0,2,0,0,0,0|2,0,0]=4 228 B13R1.48 COCCCNC(=O)c1c[nH]cn1 AIFCHEM-94598892577 [0,2,0,0,0,0|2,0,0]=4 229 B13R1.48 COCCCNC(=O)c1ccns1 AIFCHEM-5593164848 [0,2,0,0,0,0|1,1,0]=4 230 B13R1.48 COCCCNC(=O)c1cocn1 AIFCHEM-5645132635 [0,2,0,0,0,0|2,0,0]=4 231 B13R1.48 CSCCCNC(=O)c1ccc[nH]1 AIFCHEM-94529064420 [0,2,0,0,0,0|1,0,0]=3 232 B13R1.118 CCCCNC(CC)c1ccco1 AIFCHEM-94523035197 [0,2,0,0,0,0|1,0,1]=4 233 B13R1.162 CCC(C)CNC(=O)c1cc[nH]c1 AIFCHEM-94534485569 [0,2,0,0,0,0|2,0,0]=4 234 B13R1.162 CCC(C)CNC(=O)c1ccoc1 AIFCHEM-94534482550 [0,2,0,0,0,0|2,0,0]=4 235 B13R1.162 CCC(C)CNC(=O)c1ccon1 AIFCHEM-94534481419 [0,2,0,0,0,0|2,0,0]=4 236 B13R1.162 CCC(C)CNC(=O)c1nccs1 AIFCHEM-94534478343 [0,2,0,0,0,0|1,1,0]=4 237 B13R1.162 CCC(F)CNC(=O)c1ccns1 AIFCHEM-5839798887 [0,2,0,0,0,0|1,1,0]=4 238 B13R1.162 CCC(F)CNC(=O)c1cnco1 AIFCHEM-5879538171 [0,2,0,0,0,0|1,0,0]=3 239 B13R1.342 CC(=CCNC(=O)c1ccco1)C AIFCHEM-5932917059 [0,2,0,0,0,0|0,0,2]=4 240 B13R1.342 CC(=O)CCNC(=O)c1cccs1 AIFCHEM-6193529832 [0,2,0,0,0,0|0,1,1]=4 241 B13R1.342 CC(=O)CCNC(=O)c1ccno1 AIFCHEM-6215054841 [0,2,0,0,0,0|1,0,1]=4 242 B13R1.342 CC(=O)CCNC(=O)c1cnco1 AIFCHEM-6218669779 [0,2,0,0,0,0|1,0,1]=4 243 B13R1.342 CC(C)CCNC(=O)c1cscn1 AIFCHEM-6094110736 [0,2,0,0,0,0|2,0,0]=4 244 B13R1.342 O=C(NCCC(F)F)c1cnco1 AIFCHEM-6213822956 [0,2,0,0,0,0|2,0,0]=4 245 B13R1.725 CCCCNC(=O)c1ccoc1Br AIFCHEM-94570979558 [0,2,0,0,0,0|2,0,0]=4 246 B13R1.725 CCCCNC(=O)c1nc[nH]c1Br AIFCHEM-5737180959 [0,2,0,0,0,0|2,0,0]=4 247 B13R1.725 CCCCNC(=O)c1ncsc1C AIFCHEM-94570977000 [0,2,0,0,0,0|2,0,0]=4 248 B13R1.725 CCCCNC(=O)c1sccc1F AIFCHEM-94570981180 [0,2,0,0,0,0|0,1,0]=3 249 B13R1.725 CCCCNC(=O)c1sccc1I AIFCHEM-5696133927 [0,2,0,0,0,0|0,1,0]=3 250 B13R1.725 COCCNC(=O)c1sccc1Cl AIFCHEM-6017102930 [0,2,0,0,0,0|1,1,0]=4 251 B13R1.725 COCCNC(=O)c1sccc1I AIFCHEM-5990679201 [0,2,0,0,0,0|1,1,0]=4 252 B13R1.725 CSCCNC(=O)c1cccn1C AIFCHEM-5874938980 [0,2,0,0,0,0|2,0,0]=4 253 B13R1.725 CSCCNC(=O)c1sccc1F AIFCHEM-94598930255 [0,2,0,0,0,0|1,1,0]=4 254 B13R1.725 N#CCCNC(=O)c1occc1Br AIFCHEM-5694328865 [0,2,0,0,0,0|1,0,1]=4 255 B13R1.168 CC(C)CNC(=O)c1[nH]ccc1F AIFCHEM-94563728749 [0,2,0,0,0,0|2,0,0]=4 256 B13R1.168 CC(C)CNC(=O)c1sccc1F AIFCHEM-94563730477 [0,2,0,0,0,0|1,1,0]=4 257 B13R1.168 CC(C)CNC(=O)c1sccc1I AIFCHEM-6123264797 [0,2,0,0,0,0|1,1,0]=4 258 B13R1.168 Cc1ccoc1C(=O)NCC(C)C AIFCHEM-94563731346 [0,2,0,0,0,0|1,0,0]=3 259 B13R1.340 CN(CC(F)F)C(=O)c1ccco1 AIFCHEM-5933133711 [0,2,0,0,0,0|2,0,0]=4 260 B13R1.2780 CC(C)(C)CNC(=O)c1ccco1 AIFCHEM-5958698685 [0,2,0,0,0,0|1,0,0]=3 261 B13R1.2780 CC(C)(F)CNC(=O)c1ccco1 AIFCHEM-5712391216 [0,2,0,0,0,0|1,0,0]=3 262 B13R1.2780 CC(C)(F)CNC(=O)c1cccs1 AIFCHEM-5761183108 [0,2,0,0,0,0|1,1,0]=4 263 B13R1.2780 CC(C)(F)CNC(=O)c1cnco1 AIFCHEM-5771059008 [0,2,0,0,0,0|2,0,0]=4 264 B13R1.2780 CC(F)(F)CNC(=O)c1ccc[nH]1 AIFCHEM-5972880093 [0,2,0,0,0,0|2,0,0]=4 265 B13R1.379 CCCN(CC)C(=O)c1ccco1 AIFCHEM-96118308433 [0,2,0,0,0,0|1,0,0]=3 266 B13R1.379 CCCN(CC)C(=O)c1cccs1 AIFCHEM-95966050356 [0,2,0,0,0,0|1,1,0]=4 267 B13R1.379 CCCN(CC)C(=O)c1ccno1 AIFCHEM-98457164325 [0,2,0,0,0,0|2,0,0]=4 268 B13R1.379 CCCN(CC)C(=O)c1cnco1 AIFCHEM-98448833331 [0,2,0,0,0,0|2,0,0]=4 269 B13R1.379 CCN(CCF)C(=O)c1ccco1 AIFCHEM-96118374489 [0,2,0,0,0,0|2,0,0]=4 270 B13R1.2909 CCCN(C)C(=O)c1occc1Br AIFCHEM-5802882395 [0,2,0,0,0,0|1,0,0]=3 271 B13R1.2909 CCCN(C)C(=O)c1oncc1C AIFCHEM-5879091430 [0,2,0,0,0,0|2,0,0]=4 272 B13R1.2909 CCCN(C)C(=O)c1sccc1I AIFCHEM-5860367676 [0,2,0,0,0,0|1,1,0]=4 273 B11R1.17 CCCNc1ncccc1O AIFCHEM-94569013697 [0,0,1,1,0,0|2,0,0]=4 274 B11R1.17 CCNCc1ccccc1O AIFCHEM-94537427248 [0,0,1,1,0,0|2,0,0]=4 275 B11R2.2 C1=C(CCC1)c2cnco2 AIFCHEM-6301534815 [1,0,0,1,0,0|2,0,0]=4 276 B11R2.2 C1=C(CCC1)c2ncco2 AIFCHEM-6486103500 [1,0,0,1,0,0|2,0,0]=4 277 B11R2.2 C1=C(CCO1)c2ccco2 AIFCHEM-94557632059 [1,0,0,1,0,0|2,0,0]=4 278 B11R2.237 C(=C1CCC1)c2cnco2 AIFCHEM-6302129087 [1,0,0,1,0,0|1,0,1]=4 279 B11R2.385 C(=CC1CC1)c2ccco2 AIFCHEM-94569116302 [1,0,0,1,0,0|0,0,1]=3 280 B11R2.385 C(=CC1CC1)c2cnco2 AIFCHEM-6325635689 [1,0,0,1,0,0|1,0,1]=4 281 B11R2.385 C(=CC1CC1)c2ncco2 AIFCHEM-6315975781 [1,0,0,1,0,0|1,0,1]=4 282 B13R2.3 C1=C(CCCC1)c2cnccn2 AIFCHEM-6358188144 [0,0,0,1,0,1|2,0,0]=4 283 B13R2.690 O=C(NC1CC1)c2cccnn2 AIFCHEM-94573322946 [0,0,0,1,0,1|2,0,0]=4 284 B13R2.201 CC1CC1C(=O)Nc2ncc[nH]2 AIFCHEM-5663012603 [0,0,0,1,0,1|2,0,0]=4 285 B13R2.201 CC1CC1C(=O)Nc2nnco2 AIFCHEM-6223077694 [0,0,0,1,0,1|2,0,0]=4 286 B13R2.201 C[C@@H]1C[C@H]1C(=O)Nc2ncc[nH]2 AIFCHEM-5627408177 [0,0,0,1,0,1|2,0,0]=4 287 B13R2.201 C[C@@H]1C[C@H]1C(=O)Nc2nnco2 AIFCHEM-6245130398 [0,0,0,1,0,1|2,0,0]=4 288 B13R2.201 C[C@H]1C[C@@H]1C(=O)Nc2ncc[nH]2 AIFCHEM-5626838709 [0,0,0,1,0,1|2,0,0]=4 289 B13R2.201 C[C@H]1C[C@@H]1C(=O)Nc2nnco2 AIFCHEM-6201890477 [0,0,0,1,0,1|2,0,0]=4 290 B13R2.696 O=C(CC1CC1)Nc2c[nH]cn2 AIFCHEM-6009440825 [0,0,0,1,0,1|2,0,0]=4 291 B13R2.696 O=C(CC1CC1)Nc2ccn[nH]2 AIFCHEM-5953725738 [0,0,0,1,0,1|2,0,0]=4 292 B13R2.696 O=C(CC1CC1)Nc2cscn2 AIFCHEM-94557127223 [0,0,0,1,0,1|2,0,0]=4 293 B13R2.696 O=C(CC1CC1)Nc2nnco2 AIFCHEM-6202132420 [0,0,0,1,0,1|2,0,0]=4 294 B13R2.696 O=C(Cc1ccco1)NC2CC2 AIFCHEM-94573323710 [0,0,0,1,0,1|1,0,0]=3 295 B13R2.696 O=C(Cc1cccs1)NC2CC2 AIFCHEM-94573322349 [0,0,0,1,0,1|1,1,0]=4 296 B13R2.14233 O=C(Cc1cccs1)N2CCC2 AIFCHEM-6043568119 [0,0,0,1,0,1|1,1,0]=4 297 B13R2.14233 O=C(Nc1c[nH]cn1)C2CCC2 AIFCHEM-94572513587 [0,0,0,1,0,1|2,0,0]=4 298 B13R2.14233 O=C(Nc1ccno1)C2COC2 AIFCHEM-94536801497 [0,0,0,1,0,1|2,0,0]=4 299 B13R2.14233 O=C(Nc1ncc[nH]1)C2CCC2 AIFCHEM-94572522495 [0,0,0,1,0,1|2,0,0]=4 300 B13R2.14233 O=C(Nc1ncco1)C2CCO2 AIFCHEM-6187658298 [0,0,0,1,0,1|2,0,0]=4 301 B13R2.14233 O=C(Nc1ncco1)C2COC2 AIFCHEM-94536806496 [0,0,0,1,0,1|2,0,0]=4 302 B13R2.14233 O=C(Nc1ncco1)[C@@H]2CCO2 AIFCHEM-6274962914 [0,0,0,1,0,1|2,0,0]=4 303 B13R2.13 CN1CCC=C(C1)c2ccco2 AIFCHEM-94557632711 [0,1,0,1,0,0|1,0,1]=4 304 B13R2.195 C[C@@H]1C[C@H]1NC(=O)c2c[nH]cn2 AIFCHEM-94559012363 [0,1,0,1,0,0|2,0,0]=4 305 B13R2.195 C[C@@H]1C[C@H]1NC(=O)c2ccoc2 AIFCHEM-94559018216 [0,1,0,1,0,0|2,0,0]=4 306 B13R2.195 C[C@@H]1C[C@H]1NC(=O)c2ccon2 AIFCHEM-94559017085 [0,1,0,1,0,0|2,0,0]=4 307 B13R2.195 C[C@@H]1C[C@H]1NC(=O)c2nccs2 AIFCHEM-94559014009 [0,1,0,1,0,0|1,1,0]=4 308 B13R2.405 CC1CCN1C(=O)c2ccno2 AIFCHEM-6124975566 [0,1,0,1,0,0|1,0,0]=3 309 B13R2.405 CC1CCN1C(=O)c2ncc[nH]2 AIFCHEM-6182938230 [0,1,0,1,0,0|2,0,0]=4 310 B13R2.405 C[C@@H]1CCN1C(=O)c2ccno2 AIFCHEM-6261847779 [0,1,0,1,0,0|1,0,0]=3 311 B13R2.405 C[C@@H]1CCN1C(=O)c2cncs2 AIFCHEM-6234577505 [0,1,0,1,0,0|1,1,0]=4 312 B13R2.405 C[C@@H]1CCN1C(=O)c2cocn2 AIFCHEM-6275787797 [0,1,0,1,0,0|2,0,0]=4 313 B13R2.405 C[C@@H]1CCN1C(=O)c2ncc[nH]2 AIFCHEM-6231727689 [0,1,0,1,0,0|2,0,0]=4 314 B13R2.405 C[C@H]1CCN1C(=O)c2cncs2 AIFCHEM-5760429060 [0,1,0,1,0,0|1,1,0]=4 315 B13R2.405 C[C@H]1CCN1C(=O)c2cocn2 AIFCHEM-5711681961 [0,1,0,1,0,0|2,0,0]=4 316 B13R2.405 C[C@H]1CCN1C(=O)c2ncc[nH]2 AIFCHEM-5711140390 [0,1,0,1,0,0|2,0,0]=4 317 B13R2.445 C[C@@H](NC1CCC1)c2ccco2 AIFCHEM-94576054728 [0,1,0,1,0,0|1,0,1]=4 318 B13R2.445 O=C(NC1CCC1)c2ccc[nH]2 AIFCHEM-5771786484 [0,1,0,1,0,0|1,0,0]=3 319 B13R2.445 O=C(NC1CCC1)c2ccn[nH]2 AIFCHEM-5688521455 [0,1,0,1,0,0|2,0,0]=4 320 B13R2.445 O=C(NC1CCC1)c2ccon2 AIFCHEM-94537773904 [0,1,0,1,0,0|2,0,0]=4 321 B13R2.445 O=C(NC1CCC1)c2cscn2 AIFCHEM-5738414247 [0,1,0,1,0,0|2,0,0]=4 322 B13R2.445 O=C(NC1COC1)c2cccs2 AIFCHEM-5763163335 [0,1,0,1,0,0|1,1,0]=4 323 B13R2.445 O=C(NC1CSC1)c2cccs2 AIFCHEM-5920841958 [0,1,0,1,0,0|1,1,0]=4 324 B13R2.694 CC1(CC1)NC(=O)c2cccs2 AIFCHEM-6136807891 [0,1,0,1,0,0|1,1,0]=4 325 B13R2.2975 Cc1ccc(s1)C(=O)NC2CC2 AIFCHEM-6186201066 [0,1,0,1,0,0|1,1,0]=4 326 B13R2.2975 O=C(NC1CC1)c2cc(c[nH]2)Cl AIFCHEM-6133421159 [0,1,0,1,0,0|2,0,0]=4 327 B13R2.2975 O=C(NC1CC1)c2cc(no2)Br AIFCHEM-6109483075 [0,1,0,1,0,0|2,0,0]=4 328 B13R2.2975 O=C(NC1CC1)c2ccc(s2)Br AIFCHEM-94573326901 [0,1,0,1,0,0|1,1,0]=4 329 B13R2.10104 Cc1ccc([nH]1)C(=O)N2CCC2 AIFCHEM-6043239262 [0,1,0,1,0,0|2,0,0]=4 330 B13R2.10104 Cc1ccc(o1)C(=O)N2CCC2 AIFCHEM-94604928577 [0,1,0,1,0,0|1,0,0]=3 331 B13R2.10104 O=C(c1cc(no1)Br)N2CCC2 AIFCHEM-94604932737 [0,1,0,1,0,0|2,0,0]=4 332 B13R2.10104 O=C(c1ccc(o1)Br)N2CCC2 AIFCHEM-6043419375 [0,1,0,1,0,0|1,0,0]=3 333 B13R2.10104 O=C(c1ccc(s1)Cl)N2CCC2 AIFCHEM-6043693695 [0,1,0,1,0,0|1,1,0]=4 334 B13R2.443 CC(NCC1CC1)c2ccco2 AIFCHEM-94592469162 [0,1,0,1,0,0|1,0,1]=4 335 B13R2.443 C[C@@H](NCC1CC1)c2ccco2 AIFCHEM-6016116684 [0,1,0,1,0,0|1,0,1]=4 336 B13R2.443 O=C(NCC1CC1)c2cc[nH]n2 AIFCHEM-94576505116 [0,1,0,1,0,0|2,0,0]=4 337 B13R2.674 O=C(c1ccc[nH]1)N2CCSC2 AIFCHEM-5684319583 [0,1,0,1,0,0|2,0,0]=4 338 B13R2.674 O=C(c1cnco1)N2CCSC2 AIFCHEM-94586214004 [0,1,0,1,0,0|2,0,0]=4 339 B13R2.12 NC1CC=C(CC1)c2ccco2 AIFCHEM-94557634147 [0,1,0,1,0,0|1,0,0]=3 340 B13R2.12 NC1CC=C(CC1)c2cnco2 AIFCHEM-94531770320 [0,1,0,1,0,0|2,0,0]=4 341 B13R2.12 NC1CC=C(CC1)c2ncco2 AIFCHEM-94531766692 [0,1,0,1,0,0|2,0,0]=4 342 B13R2.12 OC1CC=C(CC1)c2cccs2 AIFCHEM-6425980569 [0,1,0,1,0,0|1,1,0]=4 343 B13R2.3151 Cc1cnoc1C(=O)NC2CC2 AIFCHEM-6109562415 [0,1,0,1,0,0|2,0,0]=4 344 B13R2.3151 O=C(NC1CC1)c2[nH]ccc2F AIFCHEM-6109822590 [0,1,0,1,0,0|2,0,0]=4 345 B13R2.3151 O=C(NC1CC1)c2sccc2Cl AIFCHEM-6145870294 [0,1,0,1,0,0|1,1,0]=4 346 B13R2.10561 Cn1cccc1C(=O)N2CCC2 AIFCHEM-6017409154 [0,1,0,1,0,0|2,0,0]=4 347 B13R2.10561 O=C(c1[nH]ccc1F)N2CCC2 AIFCHEM-94604928617 [0,1,0,1,0,0|2,0,0]=4 348 B13R1.44 CCCCC(=O)Nc1ccccn1 AIFCHEM-94586363259 [0,0,0,0,0,2|1,0,0]=3 349 B13R1.44 CCCCC(=O)Nc1ccncc1 AIFCHEM-94534099520 [0,0,0,0,0,2|1,0,0]=3 350 B13R1.44 CCCCC(=O)Nc1ccncn1 AIFCHEM-94534109393 [0,0,0,0,0,2|1,0,0]=3 351 B13R1.44 CCCNC(=O)Cc1ncccn1 AIFCHEM-94521379928 [0,0,0,0,0,2|2,0,0]=4 352 B13R1.153 C#CCCC(=O)NCc1ccco1 AIFCHEM-94594837788 [0,0,0,0,0,2|0,0,2]=4 353 B13R1.153 CCCCC(=O)NCc1cc[nH]n1 AIFCHEM-94534107506 [0,0,0,0,0,2|2,0,0]=4 354 B13R1.153 CCCCC(=O)NCc1cccs1 AIFCHEM-94534109467 [0,0,0,0,0,2|0,1,0]=3 355 B13R1.153 CCCCC(=O)NCc1ccon1 AIFCHEM-94534101001 [0,0,0,0,0,2|2,0,0]=4 356 B13R1.153 CCCCC(C)NCc1ccco1 AIFCHEM-94541402555 [0,0,0,0,0,2|1,0,1]=4 357 B13R1.153 CCCC[C@@H](C)NCc1ccco1 AIFCHEM-94540090136 [0,0,0,0,0,2|1,0,1]=4 358 B13R1.153 CCOCC(=O)NCc1ccc[nH]1 AIFCHEM-5933873976 [0,0,0,0,0,2|2,0,0]=4 359 B13R1.153 CCSCC(=O)NCc1cnco1 AIFCHEM-94607337223 [0,0,0,0,0,2|2,0,0]=4 360 B13R1.153 COCCC(=O)NCc1ccco1 AIFCHEM-94557356038 [0,0,0,0,0,2|1,0,0]=3 361 B13R1.153 CSCCC(=O)NCc1ccco1 AIFCHEM-94557358980 [0,0,0,0,0,2|1,0,0]=3 362 B13R1.153 CSCCC(=O)NCc1cccs1 AIFCHEM-94562648759 [0,0,0,0,0,2|1,1,0]=4 363 B13R1.153 N#CCCC(=O)NCc1ccco1 AIFCHEM-94594833192 [0,0,0,0,0,2|1,0,1]=4