0 B13R1.45 CC(C)CNC(=O)c1cccnc1 AIFCHEM-6179646778 [0,0,0,0,0,0|2,0,0]=2 1 B13R1.45 CC(C)CNC(=O)c1ccncn1 AIFCHEM-6146598324 [0,0,0,0,0,0|3,0,0]=3 2 B13R1.45 CC(C)CNC(=O)c1ccnnc1 AIFCHEM-6144617235 [0,0,0,0,0,0|3,0,0]=3 3 B13R1.45 CC(C)CNC(=O)c1cnccn1 AIFCHEM-94563734852 [0,0,0,0,0,0|3,0,0]=3 4 B13R1.45 NC(=O)CNC(=O)c1ccccc1 AIFCHEM-94550128274 [0,0,0,0,0,0|3,0,1]=4 5 B13R1.45 O=C(NCC(F)F)c1ccccn1 AIFCHEM-94578924796 [0,0,0,0,0,0|4,0,0]=4 6 B12R1.30 CCCNC(=O)c1ccccc1 AIFCHEM-94565582226 [1,0,0,0,0,0|1,0,0]=2 7 B12R1.30 CCCNC(=O)c1cncnc1 AIFCHEM-5793656241 [1,0,0,0,0,0|3,0,0]=4 8 B12R1.252 CC(C)CNCc1ccccn1 AIFCHEM-94572980232 [1,0,0,0,0,0|2,0,1]=4 9 B14R1.149 CC(=O)CNC(=O)c1cccc(c1)Br AIFCHEM-6018690092 [0,1,0,0,0,0|2,0,1]=4 10 B14R1.149 CC(C)CNC(C)c1cccc(c1)F AIFCHEM-94572984395 [0,1,0,0,0,0|2,0,1]=4 11 B14R1.149 CC(C)CN[C@@H](C)c1cccc(c1)F AIFCHEM-94572981057 [0,1,0,0,0,0|2,0,1]=4 12 B14R1.149 CC(C)CN[C@H](C)c1cccc(c1)F AIFCHEM-94566042430 [0,1,0,0,0,0|2,0,1]=4 13 B14R1.149 O=C(NCC(F)F)c1cccc(c1)F AIFCHEM-6068405908 [0,1,0,0,0,0|3,0,0]=4 14 B14R1.149 O=C(NCC(F)F)c1cccc(c1)O AIFCHEM-6014130054 [0,1,0,0,0,0|3,0,0]=4 15 B14R1.160 CC(C)CNC(=O)c1c[nH]ccc1=O AIFCHEM-94563732532 [0,1,0,0,0,0|2,0,0]=3 16 B14R1.160 CC(C)CNC(=O)c1ccc[nH]c1=O AIFCHEM-6162856171 [0,1,0,0,0,0|2,0,0]=3 17 B14R1.160 CC(C)CNC(=O)c1ccccc1Cl AIFCHEM-94562158514 [0,1,0,0,0,0|1,0,0]=2 18 B14R1.160 CC(C)CNC(=O)c1ccccc1I AIFCHEM-94563734091 [0,1,0,0,0,0|1,0,0]=2 19 B14R1.160 CC(C)CNC(=O)c1ccncc1I AIFCHEM-94563732317 [0,1,0,0,0,0|2,0,0]=3 20 B14R1.160 CC(C)CNC(C)c1ccccc1Br AIFCHEM-94572971720 [0,1,0,0,0,0|2,0,1]=4 21 B14R1.160 CC(C)CNC(C)c1ccccc1Cl AIFCHEM-94572980565 [0,1,0,0,0,0|2,0,1]=4 22 B14R1.160 CC(C)CNC(C)c1ccccc1F AIFCHEM-94538273641 [0,1,0,0,0,0|2,0,1]=4 23 B14R1.160 CC(C)CNC(C)c1ccccc1O AIFCHEM-94603818761 [0,1,0,0,0,0|2,0,1]=4 24 B14R1.160 CC(C)CN[C@@H](C)c1ccccc1Br AIFCHEM-94572972273 [0,1,0,0,0,0|2,0,1]=4 25 B14R1.160 CC(C)CN[C@@H](C)c1ccccc1F AIFCHEM-94563244148 [0,1,0,0,0,0|2,0,1]=4 26 B14R1.160 CC(C)CN[C@@H](C)c1ccccc1O AIFCHEM-94572973907 [0,1,0,0,0,0|2,0,1]=4 27 B14R1.160 CC(C)CN[C@H](C)c1ccccc1Br AIFCHEM-94524788428 [0,1,0,0,0,0|2,0,1]=4 28 B14R1.160 CC(C)CN[C@H](C)c1ccccc1Cl AIFCHEM-94572973530 [0,1,0,0,0,0|2,0,1]=4 29 B14R1.160 CC(C)CN[C@H](C)c1ccccc1F AIFCHEM-94572972008 [0,1,0,0,0,0|2,0,1]=4 30 B14R1.160 CC(C)CN[C@H](C)c1ccccc1O AIFCHEM-94572973073 [0,1,0,0,0,0|2,0,1]=4 31 B14R1.160 Cc1cccnc1C(=O)NCC(C)C AIFCHEM-94563726548 [0,1,0,0,0,0|2,0,0]=3 32 B14R1.160 Cc1ncccc1C(=O)NCC(C)C AIFCHEM-94563730459 [0,1,0,0,0,0|2,0,0]=3 33 B14R1.160 Cc1ncncc1C(=O)NCC(C)C AIFCHEM-94563727849 [0,1,0,0,0,0|3,0,0]=4 34 B14R1.160 O=C(NCC(F)F)c1ccccc1Br AIFCHEM-6015584554 [0,1,0,0,0,0|3,0,0]=4 35 B14R1.160 O=C(NCC(F)F)c1ccccc1Cl AIFCHEM-94562158609 [0,1,0,0,0,0|3,0,0]=4 36 B14R1.160 O=C(NCC(F)F)c1ccccc1O AIFCHEM-6068006167 [0,1,0,0,0,0|3,0,0]=4 37 B14R1.163 CC(C#N)CNC(=O)c1ccccc1 AIFCHEM-94565586155 [0,1,0,0,0,0|1,0,1]=3 38 B14R1.163 CCC(C)CNC(=O)c1cnccn1 AIFCHEM-94534485828 [0,1,0,0,0,0|3,0,0]=4 39 B14R1.163 CCC(F)CNC(=O)c1cccnc1 AIFCHEM-5859474210 [0,1,0,0,0,0|3,0,0]=4 40 B14R1.163 CCC(F)CNC(=O)c1ccncc1 AIFCHEM-5879444328 [0,1,0,0,0,0|3,0,0]=4 41 B14R1.163 COC(C)CNC(=O)c1ccccc1 AIFCHEM-94565583674 [0,1,0,0,0,0|1,0,0]=2 42 B14R1.163 COC(C)CNC(=O)c1cnccn1 AIFCHEM-5811947115 [0,1,0,0,0,0|3,0,0]=4 43 B14R1.163 COC(C)CNC(=O)c1ncccn1 AIFCHEM-5787434495 [0,1,0,0,0,0|3,0,0]=4 44 B14R1.163 CO[C@@H](C)CNC(=O)c1ccccc1 AIFCHEM-94565585501 [0,1,0,0,0,0|1,0,0]=2 45 B14R1.163 CO[C@@H](C)CNC(=O)c1cnccn1 AIFCHEM-5952859806 [0,1,0,0,0,0|3,0,0]=4 46 B14R1.163 CO[C@@H](C)CNC(=O)c1ncccn1 AIFCHEM-5930043094 [0,1,0,0,0,0|3,0,0]=4 47 B14R1.163 CO[C@H](C)CNC(=O)c1ccccc1 AIFCHEM-94608849716 [0,1,0,0,0,0|1,0,0]=2 48 B14R1.163 CO[C@H](C)CNC(=O)c1cnccn1 AIFCHEM-94608851744 [0,1,0,0,0,0|3,0,0]=4 49 B14R1.163 CO[C@H](C)CNC(=O)c1ncccn1 AIFCHEM-94608847295 [0,1,0,0,0,0|3,0,0]=4 50 B14R1.417 CC(C)CN(C)C(=O)c1ccccn1 AIFCHEM-94578923325 [0,1,0,0,0,0|2,0,0]=3 51 B14R1.417 CC(C)CN(C)C(=O)c1ccncn1 AIFCHEM-5711541035 [0,1,0,0,0,0|3,0,0]=4 52 B14R1.417 CC(C)CN(C)C(=O)c1cncnc1 AIFCHEM-5711737442 [0,1,0,0,0,0|3,0,0]=4 53 B14R1.540 CC[C@@H](NCC(C)C)c1ccccc1 AIFCHEM-94572979364 [0,1,0,0,0,0|2,0,1]=4 54 B14R1.540 CC[C@H](NCC(C)C)c1ccccc1 AIFCHEM-94572980294 [0,1,0,0,0,0|2,0,1]=4 55 B14R1.678 CC(C)CNC(=O)c1ccc(cn1)Br AIFCHEM-94563730347 [0,1,0,0,0,0|2,0,0]=3 56 B14R1.678 CC(C)CNC(=O)c1ccc(cn1)Cl AIFCHEM-94563733981 [0,1,0,0,0,0|2,0,0]=3 57 B14R1.678 CC(C)CNC(=O)c1ccc(cn1)I AIFCHEM-6179479297 [0,1,0,0,0,0|2,0,0]=3 58 B14R1.678 CC(C)CNC(=O)c1cnc(=O)[nH]c1 AIFCHEM-6123343403 [0,1,0,0,0,0|3,0,0]=4 59 B14R1.678 CC(C)CNC(=O)c1ncc(cn1)Br AIFCHEM-6145124741 [0,1,0,0,0,0|3,0,0]=4 60 B14R1.678 CC(C)CNC(C)c1ccc(cc1)I AIFCHEM-94572986147 [0,1,0,0,0,0|2,0,1]=4 61 B14R1.678 CC(C)CN[C@@H](C)c1ccc(cc1)I AIFCHEM-94572973690 [0,1,0,0,0,0|2,0,1]=4 62 B14R1.678 CC(C)CN[C@H](C)c1ccc(cc1)I AIFCHEM-94572973159 [0,1,0,0,0,0|2,0,1]=4 63 B14R1.678 Cc1ccc(nc1)C(=O)NCC(C)C AIFCHEM-94527139816 [0,1,0,0,0,0|2,0,0]=3 64 B14R1.678 Cc1ccc(nn1)C(=O)NCC(C)C AIFCHEM-94563732785 [0,1,0,0,0,0|3,0,0]=4 65 B14R1.678 Cc1cnc(cn1)C(=O)NCC(C)C AIFCHEM-94563732127 [0,1,0,0,0,0|3,0,0]=4 66 B14R1.678 O=C(NCC(F)F)c1ccc(cc1)F AIFCHEM-5988249969 [0,1,0,0,0,0|3,0,0]=4 67 B14R1.3098 CC(C)(C)CNC(=O)c1cccnc1 AIFCHEM-5909607595 [0,1,0,0,0,0|2,0,0]=3 68 B14R1.3098 CC(C)(F)CNC(=O)c1ccnnc1 AIFCHEM-5742929400 [0,1,0,0,0,0|3,0,0]=4 69 B14R2.68 CC1CC=C(CC1)c2ccccn2 AIFCHEM-6367087831 [0,0,0,1,0,0|3,0,0]=4 70 B14R2.68 CC1CC=C(CC1)c2ccncc2 AIFCHEM-94603948224 [0,0,0,1,0,0|3,0,0]=4 71 B14R2.68 NC1CC=C(CC1)c2ccccc2 AIFCHEM-94590916880 [0,0,0,1,0,0|3,0,0]=4 72 B14R2.352 CC(N[C@@H]1C[C@H]1C)c2ccccc2 AIFCHEM-94560535960 [0,0,0,1,0,0|2,0,1]=4 73 B14R2.352 C[C@@H]1C[C@H]1NC(=O)c2ccccn2 AIFCHEM-94578926625 [0,0,0,1,0,0|2,0,0]=3 74 B14R2.352 C[C@@H]1C[C@H]1NC(=O)c2cccnc2 AIFCHEM-94559019052 [0,0,0,1,0,0|2,0,0]=3 75 B14R2.352 C[C@@H]1C[C@H]1NC(=O)c2ncccn2 AIFCHEM-94559017045 [0,0,0,1,0,0|3,0,0]=4 76 B14R2.352 O=C(NC1CC1F)c2ccccc2 AIFCHEM-94597371394 [0,0,0,1,0,0|2,0,0]=3 77 B14R2.352 O=C(NC1CC1F)c2cccnc2 AIFCHEM-5857118456 [0,0,0,1,0,0|3,0,0]=4 78 B14R2.352 O=C(N[C@@H]1C[C@@H]1F)c2ccccc2 AIFCHEM-94565576051 [0,0,0,1,0,0|2,0,0]=3 79 B14R2.352 O=C(N[C@@H]1C[C@@H]1F)c2cccnc2 AIFCHEM-6081743258 [0,0,0,1,0,0|3,0,0]=4 80 B14R2.352 O=C(N[C@@H]1C[C@H]1F)c2ccccc2 AIFCHEM-94565573687 [0,0,0,1,0,0|2,0,0]=3 81 B14R2.352 O=C(N[C@@H]1C[C@H]1F)c2cccnc2 AIFCHEM-5831256291 [0,0,0,1,0,0|3,0,0]=4 82 B14R2.352 O=C(N[C@H]1C[C@@H]1F)c2ccccc2 AIFCHEM-94565577041 [0,0,0,1,0,0|2,0,0]=3 83 B14R2.352 O=C(N[C@H]1C[C@@H]1F)c2cccnc2 AIFCHEM-94589293088 [0,0,0,1,0,0|3,0,0]=4 84 B14R2.352 O=C(N[C@H]1C[C@H]1F)c2ccccc2 AIFCHEM-94565576050 [0,0,0,1,0,0|2,0,0]=3 85 B14R2.422 CC1CN(C1)C(=O)c2ccncc2 AIFCHEM-5908308278 [0,0,0,1,0,0|2,0,0]=3 86 B14R2.422 CC1CN(C1)C(=O)c2ccncn2 AIFCHEM-5973971701 [0,0,0,1,0,0|3,0,0]=4 87 B14R2.422 CC1CN(C1)C(=O)c2ccnnc2 AIFCHEM-5911275817 [0,0,0,1,0,0|3,0,0]=4 88 B14R2.422 CC1CN(C1)C(=O)c2cnccn2 AIFCHEM-5909612070 [0,0,0,1,0,0|3,0,0]=4 89 B14R2.792 CC(NCC1CC1)c2ccccc2 AIFCHEM-94592475131 [0,0,0,1,0,0|2,0,1]=4 90 B14R2.792 O=C(NCC1CC1)c2ccnnc2 AIFCHEM-94592481593 [0,0,0,1,0,0|3,0,0]=4 91 B12R1.54 CC(C)CNC(=O)c1cc[nH]c1 AIFCHEM-94563734593 [0,0,0,0,1,0|2,0,0]=3 92 B12R1.54 CC(C)CNC(=O)c1ccco1 AIFCHEM-6162410015 [0,0,0,0,1,0|2,0,0]=3 93 B12R1.54 CC(C)CNC(=O)c1ccns1 AIFCHEM-6145463014 [0,0,0,0,1,0|3,0,0]=4 94 B12R1.54 CC(C)CNC(=O)c1ccon1 AIFCHEM-6145008524 [0,0,0,0,1,0|3,0,0]=4 95 B12R1.107 CC(C)CN(C)c1cccnc1 AIFCHEM-94572976595 [0,0,0,0,1,0|3,0,0]=4 96 B12R1.107 CC(C)NC(=O)c1cnccn1 AIFCHEM-94520552475 [0,0,0,0,1,0|3,0,0]=4 97 B12R1.107 CC(C)NC(=O)c1cncnc1 AIFCHEM-94520549056 [0,0,0,0,1,0|3,0,0]=4 98 B14R1.420 CC(C)CCNC(=O)c1cccnn1 AIFCHEM-6135462285 [0,0,0,0,0,1|3,0,0]=4 99 B14R1.420 CC(C)CCNC(=O)c1ccncc1 AIFCHEM-6135956601 [0,0,0,0,0,1|2,0,0]=3 100 B14R1.420 CC(C)CCNC(=O)c1ccnnc1 AIFCHEM-6098911069 [0,0,0,0,0,1|3,0,0]=4 101 B14R1.420 CC(C)CCNC(=O)c1cncnc1 AIFCHEM-6184271960 [0,0,0,0,0,1|3,0,0]=4 102 B14R1.420 CN(C)CCNC(=O)c1cccnc1 AIFCHEM-94537685640 [0,0,0,0,0,1|3,0,0]=4 103 B14R1.420 O=C(NCCC(F)F)c1ccccc1 AIFCHEM-94565572792 [0,0,0,0,0,1|3,0,0]=4 104 B14R1.423 CC(C)CCC(=O)Nc1ccccc1 AIFCHEM-94552045876 [0,0,0,0,0,1|1,0,0]=2 105 B14R1.423 CC(C)CNC(=O)Cc1ccccn1 AIFCHEM-94576235871 [0,0,0,0,0,1|2,0,0]=3 106 B14R1.423 CN(C)CCC(=O)Nc1cccnc1 AIFCHEM-94531015275 [0,0,0,0,0,1|3,0,0]=4 107 B13R1.17 CCCNC(=O)c1ccc(cc1)Cl AIFCHEM-94519630974 [1,1,0,0,0,0|1,0,0]=3 108 B13R1.17 CCCNC(=O)c1ccc(cc1)O AIFCHEM-94521381894 [1,1,0,0,0,0|1,0,0]=3 109 B13R1.17 CCCNC(=O)c1ccc(cn1)Br AIFCHEM-94521377355 [1,1,0,0,0,0|2,0,0]=4 110 B13R1.18 CCCNC(=O)c1cc(=O)cco1 AIFCHEM-5815138351 [1,1,0,0,0,0|2,0,0]=4 111 B13R1.18 CCCNC(=O)c1cccc(=O)[nH]1 AIFCHEM-5791081821 [1,1,0,0,0,0|2,0,0]=4 112 B13R1.18 CCCNC(=O)c1cccc(c1)Br AIFCHEM-5793005127 [1,1,0,0,0,0|1,0,0]=3 113 B13R1.18 CCCNC(=O)c1cccc(c1)Cl AIFCHEM-94521379007 [1,1,0,0,0,0|1,0,0]=3 114 B13R1.18 CCCNC(=O)c1cccc(c1)O AIFCHEM-94521381883 [1,1,0,0,0,0|1,0,0]=3 115 B13R1.24 C#CCCNC(=O)c1ccccc1 AIFCHEM-94541770295 [1,1,0,0,0,0|1,0,1]=4 116 B13R1.24 CC#CCNC(=O)c1ccccc1 AIFCHEM-94565581648 [1,1,0,0,0,0|1,0,1]=4 117 B13R1.24 COCCNC(=O)c1ccccn1 AIFCHEM-94578913846 [1,1,0,0,0,0|2,0,0]=4 118 B13R1.47 CCCN(C)C(=O)c1ccccc1 AIFCHEM-94565582921 [1,1,0,0,0,0|1,0,0]=3 119 B13R1.47 CCCN(C)C(=O)c1cccnc1 AIFCHEM-5809080333 [1,1,0,0,0,0|2,0,0]=4 120 B13R1.47 CCCN(C)C(=O)c1ccncc1 AIFCHEM-5802856802 [1,1,0,0,0,0|2,0,0]=4 121 B13R1.674 CCCNC(=O)c1ccncc1Br AIFCHEM-94521374318 [1,1,0,0,0,0|2,0,0]=4 122 B13R1.674 CCCNC(=O)c1ccncc1C AIFCHEM-94521378134 [1,1,0,0,0,0|2,0,0]=4 123 B13R1.674 CCCNC(=O)c1ncccc1C AIFCHEM-94596772774 [1,1,0,0,0,0|2,0,0]=4 124 B13R1.674 CCCNC(=O)c1ncccc1I AIFCHEM-5790824832 [1,1,0,0,0,0|2,0,0]=4 125 B13R1.149 Cc1cccc(c1)CNCC(C)C AIFCHEM-94563723600 [1,1,0,0,0,0|1,0,1]=4 126 B13R1.158 CC(C)CNCc1ccccc1Cl AIFCHEM-94555010845 [1,1,0,0,0,0|1,0,1]=4 127 B13R1.158 CC(C)CNCc1ccccc1O AIFCHEM-94572986585 [1,1,0,0,0,0|1,0,1]=4 128 B13R1.513 CC(C)CNCc1ccc(cc1)I AIFCHEM-94572980563 [1,1,0,0,0,0|1,0,1]=4 129 B13R1.513 Cc1ccc(cc1)CNCC(C)C AIFCHEM-6162336895 [1,1,0,0,0,0|1,0,1]=4 130 B13R1.129 Cc1cc(cs1)C(=O)NCC(C)C AIFCHEM-6146491402 [0,1,0,0,1,0|2,0,0]=4 131 B13R1.162 CCC(C)CNC(=O)c1cc[nH]c1 AIFCHEM-94534485569 [0,1,0,0,1,0|2,0,0]=4 132 B13R1.162 CCC(C)CNC(=O)c1ccoc1 AIFCHEM-94534482550 [0,1,0,0,1,0|2,0,0]=4 133 B13R1.162 COC(C)CNC(=O)c1ccsc1 AIFCHEM-5812037405 [0,1,0,0,1,0|2,0,0]=4 134 B13R1.162 CO[C@@H](C)CNC(=O)c1cc[nH]c1 AIFCHEM-94588795391 [0,1,0,0,1,0|2,0,0]=4 135 B13R1.162 CO[C@@H](C)CNC(=O)c1ccsc1 AIFCHEM-94588794886 [0,1,0,0,1,0|2,0,0]=4 136 B13R1.162 CO[C@H](C)CNC(=O)c1cc[nH]c1 AIFCHEM-94608851485 [0,1,0,0,1,0|2,0,0]=4 137 B13R1.162 CO[C@H](C)CNC(=O)c1ccsc1 AIFCHEM-94608850980 [0,1,0,0,1,0|2,0,0]=4 138 B13R1.168 CC(C)CNC(=O)c1[nH]ccc1F AIFCHEM-94563728749 [0,1,0,0,1,0|2,0,0]=4 139 B13R1.168 CC(C)CNC(=O)c1sccc1F AIFCHEM-94563730477 [0,1,0,0,1,0|2,0,0]=4 140 B13R1.168 CC(C)CNC(=O)c1sccc1I AIFCHEM-6123264797 [0,1,0,0,1,0|2,0,0]=4 141 B13R1.168 Cc1ccoc1C(=O)NCC(C)C AIFCHEM-94563731346 [0,1,0,0,1,0|2,0,0]=4 142 B13R1.340 CC(C)CN(C)C(=O)c1ccsc1 AIFCHEM-5739721169 [0,1,0,0,1,0|2,0,0]=4 143 B13R1.2780 CC(C)(C)CNC(=O)c1ccco1 AIFCHEM-5958698685 [0,1,0,0,1,0|2,0,0]=4 144 B13R1.2780 CC(C)(C)CNC(=O)c1ccsc1 AIFCHEM-94570511601 [0,1,0,0,1,0|2,0,0]=4 145 B13R1.2780 CC(C)(F)CNC(=O)c1cc[nH]c1 AIFCHEM-5760891744 [0,1,0,0,1,0|2,0,0]=4 146 B13R1.2780 CC(C)(F)CNC(=O)c1ccco1 AIFCHEM-5712391216 [0,1,0,0,1,0|2,0,0]=4 147 B13R1.2780 CC(C)(F)CNC(=O)c1cccs1 AIFCHEM-5761183108 [0,1,0,0,1,0|2,0,0]=4 148 B13R1.132 CC(C)CN(C)c1ccc(cc1)Cl AIFCHEM-94572986588 [0,1,0,0,1,0|2,0,0]=4 149 B13R1.132 CC(C)CN(C)c1ccc(cc1)F AIFCHEM-94572981185 [0,1,0,0,1,0|2,0,0]=4 150 B13R1.132 CC(C)NC(=O)c1ccc(=O)oc1 AIFCHEM-94520549266 [0,1,0,0,1,0|2,0,0]=4 151 B13R1.132 CC(C)NC(=O)c1ccc(cc1)I AIFCHEM-94520550233 [0,1,0,0,1,0|1,0,0]=3 152 B13R1.132 CC(C)NC(=O)c1ccc(cn1)O AIFCHEM-94538165114 [0,1,0,0,1,0|2,0,0]=4 153 B13R1.132 Cc1ccc(cc1)N(C)CC(C)C AIFCHEM-94572982996 [0,1,0,0,1,0|2,0,0]=4 154 B13R1.147 CC(C)CN(C)c1cccc(c1)Cl AIFCHEM-94572983928 [0,1,0,0,1,0|2,0,0]=4 155 B13R1.147 CC(C)CN(C)c1cccc(c1)F AIFCHEM-94572977069 [0,1,0,0,1,0|2,0,0]=4 156 B13R1.147 CC(C)NC(=O)c1cncc(c1)O AIFCHEM-94520547728 [0,1,0,0,1,0|2,0,0]=4 157 B13R1.152 CC(C)N(C)C(=O)c1cccnc1 AIFCHEM-94547948982 [0,1,0,0,1,0|2,0,0]=4 158 B13R1.201 CC(C)NC(=O)c1ccc[nH]c1=O AIFCHEM-94520550156 [0,1,0,0,1,0|2,0,0]=4 159 B13R1.201 CC(C)NC(=O)c1ccncc1F AIFCHEM-94520548666 [0,1,0,0,1,0|2,0,0]=4 160 B13R1.201 CC(C)NC(=O)c1ccncc1I AIFCHEM-94520549940 [0,1,0,0,1,0|2,0,0]=4 161 B13R1.201 CC(C)NC(=O)c1ccncc1O AIFCHEM-94520543033 [0,1,0,0,1,0|2,0,0]=4 162 B13R1.201 CC(C)NC(=O)c1ncccc1O AIFCHEM-94520551654 [0,1,0,0,1,0|2,0,0]=4 163 B13R1.201 Cc1ccccc1N(C)CC(C)C AIFCHEM-94586631301 [0,1,0,0,1,0|2,0,0]=4 164 B13R1.713 CCN(CC(C)C)c1ccccc1 AIFCHEM-94562512824 [0,1,0,0,1,0|2,0,0]=4 165 B15R1.882 CC(=CCNC(=O)c1ccc(cc1)C)C AIFCHEM-94550261585 [0,1,0,0,0,1|1,0,1]=4 166 B15R1.882 CC(=CCNC(=O)c1ccc(cc1)I)C AIFCHEM-5961989898 [0,1,0,0,0,1|1,0,1]=4 167 B15R1.882 CC(C)CCNC(=O)c1ccc(=O)[nH]c1 AIFCHEM-6094385537 [0,1,0,0,0,1|2,0,0]=4 168 B15R1.882 CC(C)CCNC(=O)c1ccc(cc1)F AIFCHEM-6121758712 [0,1,0,0,0,1|1,0,0]=3 169 B15R1.882 CC(C)CCNC(=O)c1ccc(cc1)O AIFCHEM-6135108853 [0,1,0,0,0,1|1,0,0]=3 170 B15R1.882 CC(C)CCNC(=O)c1ccc(cn1)Br AIFCHEM-6184105988 [0,1,0,0,0,1|2,0,0]=4 171 B15R1.882 Cc1ccc(cc1)C(=O)NCCC(C)C AIFCHEM-6094426812 [0,1,0,0,0,1|1,0,0]=3 172 B15R1.1078 CC(C)CCN(C)C(=O)c1ccccc1 AIFCHEM-94565579174 [0,1,0,0,0,1|1,0,0]=3 173 B15R1.8019 CC(C)CCNC(=O)c1ccc[nH]c1=O AIFCHEM-6094919265 [0,1,0,0,0,1|2,0,0]=4 174 B15R1.8019 CC(C)CCNC(=O)c1ccccc1I AIFCHEM-6121509978 [0,1,0,0,0,1|1,0,0]=3 175 B15R1.8019 CN(C)CCNC(=O)c1ccccc1Cl AIFCHEM-94562149122 [0,1,0,0,0,1|2,0,0]=4 176 B15R1.8019 CN(C)CCNC(=O)c1ccccc1F AIFCHEM-94537684595 [0,1,0,0,0,1|2,0,0]=4 177 B15R1.8019 Cc1cccnc1C(=O)NCCC(C)C AIFCHEM-94596772617 [0,1,0,0,0,1|2,0,0]=4 178 B15R1.8019 Cc1cnccc1C(=O)NCCC(C)C AIFCHEM-6122130833 [0,1,0,0,0,1|2,0,0]=4 179 B15R1.8273 CC(C)CCNC(=O)c1cccc(c1)F AIFCHEM-6135763476 [0,1,0,0,0,1|1,0,0]=3 180 B15R1.8273 CC(C)CCNC(=O)c1cncc(c1)I AIFCHEM-6135965956 [0,1,0,0,0,1|2,0,0]=4 181 B15R1.8273 CN(C)CCNC(=O)c1cccc(c1)O AIFCHEM-5895758155 [0,1,0,0,0,1|2,0,0]=4 182 B15R1.8273 Cc1cccc(n1)C(=O)NCCC(C)C AIFCHEM-6095041268 [0,1,0,0,0,1|2,0,0]=4 183 B15R1.9094 CC(C)(C)CCNC(=O)c1cccnc1 AIFCHEM-6193596324 [0,1,0,0,0,1|2,0,0]=4 184 B15R1.111 CC(C)CCC(=O)Nc1ccc(=O)[nH]c1 AIFCHEM-5999825884 [0,1,0,0,0,1|2,0,0]=4 185 B15R1.111 CC(C)CNC(=O)Cc1ccc(cc1)Cl AIFCHEM-94563728617 [0,1,0,0,0,1|1,0,0]=3 186 B15R1.111 CC(C)CNC(=O)Cc1ccc(cn1)O AIFCHEM-6123065252 [0,1,0,0,0,1|2,0,0]=4 187 B15R1.111 CC(C)OCC(=O)Nc1ccc(cc1)F AIFCHEM-94540072368 [0,1,0,0,0,1|2,0,0]=4 188 B15R1.111 CC(C)OCC(=O)Nc1ccc(cc1)I AIFCHEM-6111723582 [0,1,0,0,0,1|2,0,0]=4 189 B15R1.111 CC(C)SCC(=O)Nc1ccc(cc1)O AIFCHEM-94574887434 [0,1,0,0,0,1|2,0,0]=4 190 B15R1.111 CN(C)CCC(=O)Nc1ccc(cc1)Br AIFCHEM-94608727788 [0,1,0,0,0,1|2,0,0]=4 191 B15R1.111 Cc1ccc(cc1)NC(=O)CCC(C)C AIFCHEM-94584238624 [0,1,0,0,0,1|1,0,0]=3 192 B15R1.111 Cc1ccc(cc1)NC(=O)COC(C)C AIFCHEM-94584236414 [0,1,0,0,0,1|2,0,0]=4 193 B15R1.120 CC(C)CCC(=O)Nc1cccc(c1)Br AIFCHEM-94552712941 [0,1,0,0,0,1|1,0,0]=3 194 B15R1.120 CC(C)CCC(=O)Nc1cccc(c1)Cl AIFCHEM-94523501308 [0,1,0,0,0,1|1,0,0]=3 195 B15R1.120 CC(C)CNC(=O)Cc1cccc(c1)O AIFCHEM-6179570320 [0,1,0,0,0,1|1,0,0]=3 196 B15R1.120 CC(C)CNC(=O)Cc1cccc(n1)F AIFCHEM-94563725326 [0,1,0,0,0,1|2,0,0]=4 197 B15R1.120 CC(C)CNC(=O)Cc1cccc(n1)O AIFCHEM-94563734646 [0,1,0,0,0,1|2,0,0]=4 198 B15R1.120 CC(C)CNC(=O)Cc1ccnc(c1)Br AIFCHEM-6179745985 [0,1,0,0,0,1|2,0,0]=4 199 B15R1.120 CC(C)CNC(=O)Cc1ccnc(c1)Cl AIFCHEM-94563734232 [0,1,0,0,0,1|2,0,0]=4 200 B15R1.120 Cc1cccc(c1)NC(=O)COC(C)C AIFCHEM-94565754804 [0,1,0,0,0,1|2,0,0]=4 201 B15R1.120 Cc1ccnc(c1)NC(=O)CCC(C)C AIFCHEM-5859978047 [0,1,0,0,0,1|2,0,0]=4 202 B15R1.256 CC(C)OCC(=O)Nc1ccccc1F AIFCHEM-94582112189 [0,1,0,0,0,1|2,0,0]=4 203 B15R1.256 CC(C)SCC(=O)Nc1ccccc1Cl AIFCHEM-94556557408 [0,1,0,0,0,1|2,0,0]=4 204 B15R1.256 CC(C)SCC(=O)Nc1ccccc1I AIFCHEM-5921758989 [0,1,0,0,0,1|2,0,0]=4 205 B15R1.256 Cc1ccccc1NC(=O)CSC(C)C AIFCHEM-5921307341 [0,1,0,0,0,1|2,0,0]=4 206 B15R1.496 CC(C)CN(C)C(=O)Cc1ccccn1 AIFCHEM-5782349429 [0,1,0,0,0,1|2,0,0]=4 207 B15R1.964 CCC(C)CCC(=O)Nc1ccccn1 AIFCHEM-5962217347 [0,1,0,0,0,1|2,0,0]=4 208 B15R1.964 CCC(C)CNC(=O)Cc1ccncc1 AIFCHEM-94534481126 [0,1,0,0,0,1|2,0,0]=4 209 B15R1.3675 CC(C)C(C)NC(=O)Cc1ccncc1 AIFCHEM-6191050616 [0,1,0,0,0,1|2,0,0]=4 210 B15R1.3675 CC(C)[C@@H](C)NC(=O)Cc1ccncc1 AIFCHEM-94576831407 [0,1,0,0,0,1|2,0,0]=4 211 B15R1.9108 CC(C)(C)C#CC(=O)Nc1ccccc1 AIFCHEM-94577035229 [0,1,0,0,0,1|1,0,1]=4 212 B15R1.9108 CC(C)(F)CNC(=O)Cc1cccnc1 AIFCHEM-5770919436 [0,1,0,0,0,1|2,0,0]=4 213 B15R1.65 C#Cc1cncc(c1)C(=O)NCC(C)C AIFCHEM-6123722685 [0,2,0,0,0,0|2,0,0]=4 214 B15R1.65 CC(C)CNC(=O)c1cccc(n1)CO AIFCHEM-94563726254 [0,2,0,0,0,0|2,0,0]=4 215 B15R1.65 COc1cccc(c1)C(=O)NCC(C)C AIFCHEM-94563732374 [0,2,0,0,0,0|1,0,0]=3 216 B15R1.65 COc1cccc(n1)C(=O)NCC(C)C AIFCHEM-94563730004 [0,2,0,0,0,0|2,0,0]=4 217 B15R1.124 CC(C)CNC(=O)c1cccc(=O)n1C AIFCHEM-94563732462 [0,2,0,0,0,0|2,0,0]=4 218 B15R1.124 CC(C)CNC(=O)c1cccc(c1Cl)I AIFCHEM-94563734040 [0,2,0,0,0,0|1,0,0]=3 219 B15R1.124 CC(C)CNC(=O)c1cccc(c1Cl)O AIFCHEM-94563731846 [0,2,0,0,0,0|1,0,0]=3 220 B15R1.124 CC(C)CNC(=O)c1cccc(c1F)Br AIFCHEM-6145050947 [0,2,0,0,0,0|1,0,0]=3 221 B15R1.124 CC(C)CNC(=O)c1cccc(c1F)F AIFCHEM-94563731401 [0,2,0,0,0,0|1,0,0]=3 222 B15R1.124 CC(C)CNC(=O)c1cccc(c1O)Cl AIFCHEM-94563728504 [0,2,0,0,0,0|1,0,0]=3 223 B15R1.124 CC(C)CNC(=O)c1cccc(c1O)O AIFCHEM-94563730310 [0,2,0,0,0,0|1,0,0]=3 224 B15R1.124 Cc1c(cccc1C(=O)NCC(C)C)Br AIFCHEM-94563733421 [0,2,0,0,0,0|1,0,0]=3 225 B15R1.133 CCC(C)CNC(=O)c1cccc(=O)[nH]1 AIFCHEM-94534479791 [0,2,0,0,0,0|2,0,0]=4 226 B15R1.133 CCC(C)CNC(=O)c1cccc(c1)O AIFCHEM-94534485851 [0,2,0,0,0,0|1,0,0]=3 227 B15R1.133 CCC(C)CNC(=O)c1cccc(n1)C AIFCHEM-94534485600 [0,2,0,0,0,0|2,0,0]=4 228 B15R1.133 CCC(C)CNC(=O)c1ccnc(c1)C AIFCHEM-94534482101 [0,2,0,0,0,0|2,0,0]=4 229 B15R1.133 CCC(C)CNC(=O)c1cncc(c1)O AIFCHEM-94534481081 [0,2,0,0,0,0|2,0,0]=4 230 B15R1.133 CCC(F)CNC(=O)c1cccc(c1)Br AIFCHEM-5879414642 [0,2,0,0,0,0|2,0,0]=4 231 B15R1.133 COC(C)CNC(=O)c1cncc(c1)C AIFCHEM-5787960324 [0,2,0,0,0,0|2,0,0]=4 232 B15R1.133 CO[C@@H](C)CNC(=O)c1ccnc(c1)C AIFCHEM-94588791923 [0,2,0,0,0,0|2,0,0]=4 233 B15R1.133 CO[C@@H](C)CNC(=O)c1cncc(c1)C AIFCHEM-94588791255 [0,2,0,0,0,0|2,0,0]=4 234 B15R1.133 CO[C@H](C)CNC(=O)c1ccnc(c1)C AIFCHEM-94608848017 [0,2,0,0,0,0|2,0,0]=4 235 B15R1.133 CO[C@H](C)CNC(=O)c1cncc(c1)C AIFCHEM-94608847349 [0,2,0,0,0,0|2,0,0]=4 236 B15R1.133 Cc1cccc(c1)C(=O)NCC(C)C#N AIFCHEM-6017074497 [0,2,0,0,0,0|1,0,1]=4 237 B15R1.889 CC(C)CNC(=O)c1ccc(c(c1)Br)Br AIFCHEM-6145268885 [0,2,0,0,0,0|1,0,0]=3 238 B15R1.889 CC(C)CNC(=O)c1ccc(c(c1)Cl)Cl AIFCHEM-6123125075 [0,2,0,0,0,0|1,0,0]=3 239 B15R1.889 CC(C)CNC(=O)c1ccc(c(c1)Cl)I AIFCHEM-94563732339 [0,2,0,0,0,0|1,0,0]=3 240 B15R1.889 CC(C)CNC(=O)c1ccc(c(c1)O)I AIFCHEM-6163507611 [0,2,0,0,0,0|1,0,0]=3 241 B15R1.889 CC(C)CNC(=O)c1ccc(c(c1)O)O AIFCHEM-94563734881 [0,2,0,0,0,0|1,0,0]=3 242 B15R1.889 Cc1cc(ccc1Br)C(=O)NCC(C)C AIFCHEM-94563733474 [0,2,0,0,0,0|1,0,0]=3 243 B15R1.889 Cc1cc(ccc1F)C(=O)NCC(C)C AIFCHEM-94563731136 [0,2,0,0,0,0|1,0,0]=3 244 B15R1.889 Cc1ccc(cc1Br)C(=O)NCC(C)C AIFCHEM-6123147186 [0,2,0,0,0,0|1,0,0]=3 245 B15R1.889 Cc1ccc(cc1I)C(=O)NCC(C)C AIFCHEM-6123551239 [0,2,0,0,0,0|1,0,0]=3 246 B15R1.889 Cc1ccc(cc1O)C(=O)NCC(C)C AIFCHEM-94563732373 [0,2,0,0,0,0|1,0,0]=3 247 B15R1.889 Cc1ncc(cc1Br)C(=O)NCC(C)C AIFCHEM-94563726232 [0,2,0,0,0,0|2,0,0]=4 248 B15R1.889 Cc1ncc(cc1F)C(=O)NCC(C)C AIFCHEM-6163806396 [0,2,0,0,0,0|2,0,0]=4 249 B15R1.5450 CC(C)CNC(=O)c1cc(cc(c1)Br)F AIFCHEM-6162549175 [0,2,0,0,0,0|1,0,0]=3 250 B15R1.5450 CC(C)CNC(=O)c1cc(cc(c1)Cl)F AIFCHEM-94563729783 [0,2,0,0,0,0|1,0,0]=3 251 B15R1.5450 CC(C)CNC(=O)c1cc(nc(c1)O)O AIFCHEM-6145329415 [0,2,0,0,0,0|2,0,0]=4 252 B15R1.5450 Cc1cc(cc(c1)C(=O)NCC(C)C)Cl AIFCHEM-6163606950 [0,2,0,0,0,0|1,0,0]=3 253 B15R1.5450 Cc1cc(cc(n1)C)C(=O)NCC(C)C AIFCHEM-6145197353 [0,2,0,0,0,0|2,0,0]=4 254 B15R1.5450 Cc1cc(cc(n1)O)C(=O)NCC(C)C AIFCHEM-94563733949 [0,2,0,0,0,0|2,0,0]=4 255 B15R1.5450 Cc1cc(nc(c1)C(=O)NCC(C)C)C AIFCHEM-94563728447 [0,2,0,0,0,0|2,0,0]=4 256 B15R1.8271 CC(C)CN(C)C(=O)c1cccc(c1)Cl AIFCHEM-5782562539 [0,2,0,0,0,0|1,0,0]=3 257 B15R1.8271 CC(C)CN(C)C(=O)c1cccc(c1)O AIFCHEM-5736658031 [0,2,0,0,0,0|1,0,0]=3 258 B15R1.8271 CC(C)CN(C)C(=O)c1cncc(c1)Br AIFCHEM-5737265362 [0,2,0,0,0,0|2,0,0]=4 259 B15R1.8271 Cc1cc(ccn1)C(=O)N(C)CC(C)C AIFCHEM-5739279680 [0,2,0,0,0,0|2,0,0]=4 260 B15R1.8271 Cc1cccc(c1)C(=O)N(C)CC(C)C AIFCHEM-5736583510 [0,2,0,0,0,0|1,0,0]=3 261 B15R1.8272 CC(C)C(C)NC(=O)c1cccc(c1)Br AIFCHEM-6211658832 [0,2,0,0,0,0|1,0,0]=3 262 B15R1.8272 CC(C)C(C)NC(=O)c1cccc(c1)I AIFCHEM-6190041482 [0,2,0,0,0,0|1,0,0]=3 263 B15R1.8272 CC(C)[C@@H](C)NC(=O)c1cccc(c1)Br AIFCHEM-94576830866 [0,2,0,0,0,0|1,0,0]=3 264 B15R1.8272 CC(C)[C@@H](C)NC(=O)c1cccc(c1)I AIFCHEM-94576831101 [0,2,0,0,0,0|1,0,0]=3 265 B15R1.8277 CC(C)(C)CNC(=O)c1cccc(c1)O AIFCHEM-5958641177 [0,2,0,0,0,0|1,0,0]=3 266 B15R1.8277 CC(C)(F)CNC(=O)c1cc(=O)cco1 AIFCHEM-5692017928 [0,2,0,0,0,0|2,0,0]=4 267 B15R1.8277 CC(C)(F)CNC(=O)c1cc(ccn1)O AIFCHEM-5783367775 [0,2,0,0,0,0|2,0,0]=4 268 B15R1.8277 CC(C)(F)CNC(=O)c1cccc(c1)F AIFCHEM-5770957407 [0,2,0,0,0,0|1,0,0]=3 269 B15R1.8277 CC(C)(F)CNC(=O)c1cncc(c1)Cl AIFCHEM-5760820117 [0,2,0,0,0,0|2,0,0]=4 270 B15R1.8277 Cc1cncc(c1)C(=O)NCC(C)(C)C AIFCHEM-5965646988 [0,2,0,0,0,0|2,0,0]=4 271 B15R1.8277 Cc1cncc(c1)C(=O)NCC(C)(C)F AIFCHEM-5761218853 [0,2,0,0,0,0|2,0,0]=4 272 B15R1.8420 CC(C)CNC(=O)c1cc(ccc1Br)F AIFCHEM-94563731049 [0,2,0,0,0,0|1,0,0]=3 273 B15R1.8420 CC(C)CNC(=O)c1cc(ccc1F)F AIFCHEM-6145844107 [0,2,0,0,0,0|1,0,0]=3 274 B15R1.8420 CC(C)CNC(=O)c1cc(ccc1F)I AIFCHEM-94563726588 [0,2,0,0,0,0|1,0,0]=3 275 B15R1.8420 Cc1c[nH]c(=O)c(c1)C(=O)NCC(C)C AIFCHEM-94563730947 [0,2,0,0,0,0|2,0,0]=4 276 B15R1.8420 Cc1ccc(cc1C(=O)NCC(C)C)F AIFCHEM-94563730550 [0,2,0,0,0,0|1,0,0]=3 277 B15R1.8420 Cc1ncc(cc1C(=O)NCC(C)C)I AIFCHEM-94563725795 [0,2,0,0,0,0|2,0,0]=4 278 B15R1.86 CCc1ncccc1C(=O)NCC(C)C AIFCHEM-6179688924 [0,2,0,0,0,0|2,0,0]=4 279 B15R1.86 COc1ccncc1C(=O)NCC(C)C AIFCHEM-6163810897 [0,2,0,0,0,0|2,0,0]=4 280 B15R1.5792 CC(C)CN(C)C(=O)c1c[nH]ccc1=O AIFCHEM-5723042852 [0,2,0,0,0,0|2,0,0]=4 281 B15R1.5792 CC(C)CN(C)C(=O)c1ccncc1Cl AIFCHEM-5722792340 [0,2,0,0,0,0|2,0,0]=4 282 B15R1.5792 Cc1ccccc1C(=O)N(C)CC(C)C AIFCHEM-5722857364 [0,2,0,0,0,0|1,0,0]=3 283 B15R1.5792 Cc1ncccc1C(=O)N(C)CC(C)C AIFCHEM-5739505151 [0,2,0,0,0,0|2,0,0]=4 284 B15R1.5793 CC(C)C(C)NC(=O)c1ccccc1O AIFCHEM-6214880916 [0,2,0,0,0,0|1,0,0]=3 285 B15R1.5793 CC(C)C(C)NC(=O)c1ccncc1I AIFCHEM-6214346579 [0,2,0,0,0,0|2,0,0]=4 286 B15R1.5793 CC(C)[C@@H](C)NC(=O)c1ccccc1O AIFCHEM-94576831546 [0,2,0,0,0,0|1,0,0]=3 287 B15R1.5793 CC(C)[C@@H](C)NC(=O)c1ccncc1I AIFCHEM-94576830822 [0,2,0,0,0,0|2,0,0]=4 288 B15R1.5793 Cc1cccnc1C(=O)NC(C)C(C)C AIFCHEM-94596773183 [0,2,0,0,0,0|2,0,0]=4 289 B15R1.5793 Cc1cccnc1C(=O)N[C@H](C)C(C)C AIFCHEM-94576829628 [0,2,0,0,0,0|2,0,0]=4 290 B15R1.5815 CC(C#N)CNC(=O)c1ccccc1I AIFCHEM-6012259728 [0,2,0,0,0,0|1,0,1]=4 291 B15R1.5815 CCC(C)CNC(=O)c1ccccc1Br AIFCHEM-94534485066 [0,2,0,0,0,0|1,0,0]=3 292 B15R1.5815 CCC(C)CNC(=O)c1ncccc1C AIFCHEM-94534482099 [0,2,0,0,0,0|2,0,0]=4 293 B15R1.5815 CCC(C)CNC(=O)c1ncccc1I AIFCHEM-94534484288 [0,2,0,0,0,0|2,0,0]=4 294 B15R1.5815 COC(C)CNC(=O)c1ccccc1I AIFCHEM-5851341449 [0,2,0,0,0,0|1,0,0]=3 295 B15R1.5815 COC(C)CNC(=O)c1ccccc1O AIFCHEM-5787504823 [0,2,0,0,0,0|1,0,0]=3 296 B15R1.5815 COC(C)CNC(=O)c1ccncc1C AIFCHEM-5874373226 [0,2,0,0,0,0|2,0,0]=4 297 B15R1.5815 CO[C@@H](C)CNC(=O)c1ccccc1I AIFCHEM-5902107924 [0,2,0,0,0,0|1,0,0]=3 298 B15R1.5815 CO[C@@H](C)CNC(=O)c1ccccc1O AIFCHEM-5944565375 [0,2,0,0,0,0|1,0,0]=3 299 B15R1.5815 CO[C@@H](C)CNC(=O)c1ccncc1C AIFCHEM-5930231893 [0,2,0,0,0,0|2,0,0]=4 300 B15R1.5815 CO[C@H](C)CNC(=O)c1ccccc1I AIFCHEM-94608850983 [0,2,0,0,0,0|1,0,0]=3 301 B15R1.5815 CO[C@H](C)CNC(=O)c1ccccc1O AIFCHEM-94608849933 [0,2,0,0,0,0|1,0,0]=3 302 B15R1.5815 CO[C@H](C)CNC(=O)c1ccncc1C AIFCHEM-94608848018 [0,2,0,0,0,0|2,0,0]=4 303 B15R1.5815 Cc1ccccc1C(=O)NCC(C)C#N AIFCHEM-6057108216 [0,2,0,0,0,0|1,0,1]=4 304 B15R1.5822 CC(C)CNC(=O)c1ccc(cc1Br)Br AIFCHEM-94563732546 [0,2,0,0,0,0|1,0,0]=3 305 B15R1.5822 CC(C)CNC(=O)c1ccc(cc1Cl)O AIFCHEM-94563732205 [0,2,0,0,0,0|1,0,0]=3 306 B15R1.5822 CC(C)CNC(=O)c1ccc(cc1F)F AIFCHEM-94563727869 [0,2,0,0,0,0|1,0,0]=3 307 B15R1.5822 CC(C)CNC(=O)c1ccc(cc1I)Cl AIFCHEM-6146724229 [0,2,0,0,0,0|1,0,0]=3 308 B15R1.5822 CC(C)CNC(=O)c1ccc(cc1O)O AIFCHEM-94563734272 [0,2,0,0,0,0|1,0,0]=3 309 B15R1.5822 CC(C)CNC(=O)c1ncc(cc1Br)Br AIFCHEM-94563732600 [0,2,0,0,0,0|2,0,0]=4 310 B15R1.5822 CC(C)CNC(=O)c1ncc(cc1Br)Cl AIFCHEM-6144600028 [0,2,0,0,0,0|2,0,0]=4 311 B15R1.5822 CC(C)CNC(=O)c1ncc(cc1Br)F AIFCHEM-6164183134 [0,2,0,0,0,0|2,0,0]=4 312 B15R1.5822 CC(C)CNC(=O)c1ncc(cc1Cl)Cl AIFCHEM-6123219912 [0,2,0,0,0,0|2,0,0]=4 313 B15R1.5822 CC(C)CNC(=O)c1ncc(cc1F)Br AIFCHEM-94563732933 [0,2,0,0,0,0|2,0,0]=4 314 B15R1.5822 CC(C)CNC(=O)c1ncc(cc1F)F AIFCHEM-94563733347 [0,2,0,0,0,0|2,0,0]=4 315 B15R1.5822 Cc1cc(ccc1C(=O)NCC(C)C)Cl AIFCHEM-6146457921 [0,2,0,0,0,0|1,0,0]=3 316 B15R1.5822 Cc1cc(ccc1C(=O)NCC(C)C)O AIFCHEM-6146697816 [0,2,0,0,0,0|1,0,0]=3 317 B15R1.5822 Cc1cc(cnc1C(=O)NCC(C)C)Cl AIFCHEM-94563734189 [0,2,0,0,0,0|2,0,0]=4 318 B15R1.5822 Cc1ccc(c(c1)Br)C(=O)NCC(C)C AIFCHEM-94563733473 [0,2,0,0,0,0|1,0,0]=3 319 B15R1.8018 CC(C)(C)CNC(=O)c1ccncc1Cl AIFCHEM-5977686393 [0,2,0,0,0,0|2,0,0]=4 320 B15R1.8018 CC(C)(C)CNC(=O)c1ccncc1I AIFCHEM-5958828284 [0,2,0,0,0,0|2,0,0]=4 321 B15R1.8018 CC(C)(C)CNC(=O)c1ccncc1O AIFCHEM-94570502923 [0,2,0,0,0,0|2,0,0]=4 322 B15R1.8018 CC(C)(C)CNC(=O)c1ncccc1I AIFCHEM-5928561394 [0,2,0,0,0,0|2,0,0]=4 323 B15R1.8018 CC(C)(F)CNC(=O)c1ccccc1F AIFCHEM-5692152019 [0,2,0,0,0,0|1,0,0]=3 324 B15R1.8018 CC(C)(F)CNC(=O)c1ccncc1Br AIFCHEM-5692092863 [0,2,0,0,0,0|2,0,0]=4 325 B15R1.8018 CC(C)(F)CNC(=O)c1ccncc1F AIFCHEM-5760730957 [0,2,0,0,0,0|2,0,0]=4 326 B15R1.8018 CC(C)(F)CNC(=O)c1ccncc1I AIFCHEM-5712431992 [0,2,0,0,0,0|2,0,0]=4 327 B15R1.8018 CC(C)(F)CNC(=O)c1ncccc1Br AIFCHEM-5712431564 [0,2,0,0,0,0|2,0,0]=4 328 B15R1.8018 CC(C)(F)CNC(=O)c1ncccc1F AIFCHEM-5692332403 [0,2,0,0,0,0|2,0,0]=4 329 B15R1.8018 CC(F)(F)CNC(=O)c1ccccc1Br AIFCHEM-5903329657 [0,2,0,0,0,0|2,0,0]=4 330 B15R1.8018 CC(F)(F)CNC(=O)c1ccccc1Cl AIFCHEM-94562159156 [0,2,0,0,0,0|2,0,0]=4 331 B15R1.8018 Cc1ccncc1C(=O)NCC(C)(C)C AIFCHEM-94550915057 [0,2,0,0,0,0|2,0,0]=4 332 B15R1.8312 CC(C)CNC(=O)c1c(cccc1Br)F AIFCHEM-94563729487 [0,2,0,0,0,0|1,0,0]=3 333 B15R1.8312 CC(C)CNC(=O)c1c(cncc1F)F AIFCHEM-6146361290 [0,2,0,0,0,0|2,0,0]=4 334 B15R1.8312 Cc1cccc(c1C(=O)NCC(C)C)Br AIFCHEM-94563734369 [0,2,0,0,0,0|1,0,0]=3 335 B15R1.8312 Cc1cccc(c1C(=O)NCC(C)C)C AIFCHEM-6123675828 [0,2,0,0,0,0|1,0,0]=3 336 B15R1.132 CC(C#N)CNC(=O)c1ccc(cc1)I AIFCHEM-6074518190 [0,2,0,0,0,0|1,0,1]=4 337 B15R1.132 CCC(C)CNC(=O)c1ccc(cn1)Br AIFCHEM-94534481323 [0,2,0,0,0,0|2,0,0]=4 338 B15R1.132 COC(C)CNC(=O)c1ccc(cc1)F AIFCHEM-5851273134 [0,2,0,0,0,0|1,0,0]=3 339 B15R1.132 COC(C)CNC(=O)c1ccc(cn1)Cl AIFCHEM-5811561280 [0,2,0,0,0,0|2,0,0]=4 340 B15R1.132 CO[C@@H](C)CNC(=O)c1ccc(cc1)F AIFCHEM-94588792223 [0,2,0,0,0,0|1,0,0]=3 341 B15R1.132 CO[C@@H](C)CNC(=O)c1ccc(cn1)Cl AIFCHEM-94588794779 [0,2,0,0,0,0|2,0,0]=4 342 B15R1.132 CO[C@H](C)CNC(=O)c1ccc(cc1)F AIFCHEM-94608848317 [0,2,0,0,0,0|1,0,0]=3 343 B15R1.132 CO[C@H](C)CNC(=O)c1ccc(cn1)Cl AIFCHEM-94608850873 [0,2,0,0,0,0|2,0,0]=4 344 B15R1.132 Cc1ccc(cc1)C(=O)NCC(C)C#N AIFCHEM-6037409550 [0,2,0,0,0,0|1,0,1]=4 345 B15R1.652 CCC(CC)CNC(=O)c1cccnc1 AIFCHEM-5712104486 [0,2,0,0,0,0|2,0,0]=4 346 B15R1.502 CC(C)C(C)N(C)C(=O)c1ccccn1 AIFCHEM-94550013474 [0,2,0,0,0,0|2,0,0]=4 347 B15R1.502 CC(C)C(C)N(C)C(=O)c1ccncc1 AIFCHEM-94550010737 [0,2,0,0,0,0|2,0,0]=4 348 B15R1.881 CC(C)C(C)NC(=O)c1ccc(cn1)Br AIFCHEM-6190292561 [0,2,0,0,0,0|2,0,0]=4 349 B15R1.881 CC(C)C(C)NC(=O)c1ccc(cn1)Cl AIFCHEM-6191878755 [0,2,0,0,0,0|2,0,0]=4 350 B15R1.881 CC(C)[C@@H](C)NC(=O)c1ccc(cn1)Br AIFCHEM-94576828852 [0,2,0,0,0,0|2,0,0]=4 351 B15R1.881 CC(C)[C@@H](C)NC(=O)c1ccc(cn1)Cl AIFCHEM-94576832486 [0,2,0,0,0,0|2,0,0]=4 352 B15R1.881 Cc1ccc(cn1)C(=O)NC(C)C(C)C AIFCHEM-6211833286 [0,2,0,0,0,0|2,0,0]=4 353 B15R1.881 Cc1ccc(cn1)C(=O)N[C@H](C)C(C)C AIFCHEM-94576828961 [0,2,0,0,0,0|2,0,0]=4 354 B15R1.1357 CCN(CC(C)C)C(=O)c1cccnc1 AIFCHEM-96136217935 [0,2,0,0,0,0|2,0,0]=4 355 B15R1.3977 CN(CC(C)(C)C)C(=O)c1ccncc1 AIFCHEM-6188701525 [0,2,0,0,0,0|2,0,0]=4 356 B15R1.5 CC(C)CNC(=O)c1ccc(nc1)C#N AIFCHEM-94563733105 [0,2,0,0,0,0|2,0,0]=4 357 B15R1.892 CC(C)(C)CNC(=O)c1ccc(cc1)Cl AIFCHEM-94519625571 [0,2,0,0,0,0|1,0,0]=3 358 B15R1.892 CC(C)(C)CNC(=O)c1ccc(cn1)I AIFCHEM-5909694613 [0,2,0,0,0,0|2,0,0]=4 359 B15R1.892 CC(C)(F)CNC(=O)c1ccc(cc1)Br AIFCHEM-5783457159 [0,2,0,0,0,0|1,0,0]=3 360 B15R1.892 CC(C)(F)CNC(=O)c1ccc(cc1)F AIFCHEM-5692096755 [0,2,0,0,0,0|1,0,0]=3 361 B15R1.892 CC(C)(F)CNC(=O)c1ccc(cn1)O AIFCHEM-5770956430 [0,2,0,0,0,0|2,0,0]=4 362 B15R1.892 Cc1ccc(cc1)C(=O)NCC(C)(C)C AIFCHEM-94570512398 [0,2,0,0,0,0|1,0,0]=3 363 B13R2.195 C[C@@H]1C[C@H]1NC(=O)c2ccoc2 AIFCHEM-94559018216 [0,0,0,1,1,0|2,0,0]=4 364 B15R2.297 CC1CCN(C1)C(=O)c2ccccc2 AIFCHEM-94565574429 [0,0,0,1,0,1|1,0,0]=3 365 B15R2.297 CC1CCN(C1)C(=O)c2cccnc2 AIFCHEM-5613914641 [0,0,0,1,0,1|2,0,0]=4 366 B15R2.297 C[C@@H]1CCN(C1)C(=O)c2ccccc2 AIFCHEM-94565579062 [0,0,0,1,0,1|1,0,0]=3 367 B15R2.297 C[C@@H]1CCN(C1)C(=O)c2cccnc2 AIFCHEM-5819872197 [0,0,0,1,0,1|2,0,0]=4 368 B15R2.297 C[C@H]1CCN(C1)C(=O)c2ccccc2 AIFCHEM-94565577816 [0,0,0,1,0,1|1,0,0]=3 369 B15R2.297 C[C@H]1CCN(C1)C(=O)c2cccnc2 AIFCHEM-5632489306 [0,0,0,1,0,1|2,0,0]=4 370 B15R2.297 O=C(c1ccccc1)N2CC[C@@H](C2)F AIFCHEM-94565575744 [0,0,0,1,0,1|2,0,0]=4 371 B15R2.297 O=C(c1ccccc1)N2CC[C@H](C2)F AIFCHEM-94601067208 [0,0,0,1,0,1|2,0,0]=4 372 B15R2.612 CN1CC(C1)NC(=O)c2ccccc2 AIFCHEM-94565586151 [0,0,0,1,0,1|2,0,0]=4 373 B15R2.491 C[C@@H]1C[C@H]1NC(=O)Cc2ccncc2 AIFCHEM-94559019544 [0,0,0,1,0,1|2,0,0]=4 374 B15R2.596 CC1CC(C1)C(=O)Nc2ccccn2 AIFCHEM-5968895832 [0,0,0,1,0,1|2,0,0]=4 375 B15R2.596 O=C(Nc1ccccc1)C2CC(C2)O AIFCHEM-94552041848 [0,0,0,1,0,1|2,0,0]=4 376 B15R2.596 O=C(Nc1ccccc1)[C@H]2C[C@@H](C2)O AIFCHEM-94577030103 [0,0,0,1,0,1|2,0,0]=4 377 B15R2.596 O=C(Nc1ccccc1)[C@H]2C[C@H](C2)O AIFCHEM-94552045208 [0,0,0,1,0,1|2,0,0]=4 378 B15R2.28 CC1CC=C(CC1)c2cccc(c2)F AIFCHEM-6414089318 [0,1,0,1,0,0|2,0,0]=4 379 B15R2.7152 O=C(NCC1CC1)c2cc(ccn2)O AIFCHEM-94592479338 [0,1,0,1,0,0|2,0,0]=4 380 B15R2.7152 O=C(NCC1CC1)c2cccc(=O)[nH]2 AIFCHEM-5974387516 [0,1,0,1,0,0|2,0,0]=4 381 B15R2.7152 O=C(NCC1CC1)c2cncc(c2)O AIFCHEM-5910499275 [0,1,0,1,0,0|2,0,0]=4 382 B15R2.15379 CC1CN(C1)C(=O)c2cc(=O)cco2 AIFCHEM-5911343963 [0,1,0,1,0,0|2,0,0]=4 383 B15R2.15379 CC1CN(C1)C(=O)c2cc(ccn2)O AIFCHEM-5982478657 [0,1,0,1,0,0|2,0,0]=4 384 B15R2.15379 Cc1cccc(c1)C(=O)N2CC(C2)F AIFCHEM-5600701659 [0,1,0,1,0,0|2,0,0]=4 385 B15R2.15379 Cc1ccnc(c1)C(=O)N2CC(C2)C AIFCHEM-5909684707 [0,1,0,1,0,0|2,0,0]=4 386 B15R2.15379 O=C(c1cccc(c1)Br)N2CC(C2)F AIFCHEM-5638872672 [0,1,0,1,0,0|2,0,0]=4 387 B15R2.15379 O=C(c1cccc(c1)Cl)N2CC(C2)F AIFCHEM-5649044964 [0,1,0,1,0,0|2,0,0]=4 388 B15R2.15386 C[C@@H]1C[C@H]1NC(=O)c2cccc(c2)Cl AIFCHEM-94559018641 [0,1,0,1,0,0|1,0,0]=3 389 B15R2.7432 CC1CN(C1)C(=O)c2c[nH]ccc2=O AIFCHEM-5982429243 [0,1,0,1,0,0|2,0,0]=4 390 B15R2.7432 CC1CN(C1)C(=O)c2ccccc2F AIFCHEM-5909725811 [0,1,0,1,0,0|1,0,0]=3 391 B15R2.7432 CC1CN(C1)C(=O)c2ccncc2Cl AIFCHEM-5930786250 [0,1,0,1,0,0|2,0,0]=4 392 B15R2.7432 O=C(c1ccccc1Br)N2CC(C2)F AIFCHEM-5656898409 [0,1,0,1,0,0|2,0,0]=4 393 B15R2.7432 O=C(c1ccccc1F)N2CC(C2)F AIFCHEM-5639287516 [0,1,0,1,0,0|2,0,0]=4 394 B15R2.7464 C[C@@H]1C[C@H]1NC(=O)c2ccc[nH]c2=O AIFCHEM-94559019175 [0,1,0,1,0,0|2,0,0]=4 395 B15R2.7464 C[C@@H]1C[C@H]1NC(=O)c2ncccc2F AIFCHEM-94559014378 [0,1,0,1,0,0|2,0,0]=4 396 B15R2.7464 Cc1ccccc1C(=O)N[C@@H]2C[C@H]2C AIFCHEM-94559012794 [0,1,0,1,0,0|1,0,0]=3 397 B15R2.7464 Cc1ccncc1C(=O)N[C@@H]2C[C@H]2C AIFCHEM-94559017100 [0,1,0,1,0,0|2,0,0]=4 398 B15R2.7464 Cc1ncccc1C(=O)N[C@@H]2C[C@H]2C AIFCHEM-94559017101 [0,1,0,1,0,0|2,0,0]=4 399 B15R2.8805 O=C(NCC1CC1)c2ccc[nH]c2=O AIFCHEM-94592482391 [0,1,0,1,0,0|2,0,0]=4 400 B15R2.2013 CSC1CN(C1)C(=O)c2ccncc2 AIFCHEM-6114674179 [0,1,0,1,0,0|2,0,0]=4 401 B15R2.2013 O=C(c1ccncc1)N2CC(C2)CF AIFCHEM-94531221727 [0,1,0,1,0,0|2,0,0]=4 402 B15R2.24496 CC1(CC1)CNC(=O)c2ccccc2 AIFCHEM-94565575070 [0,1,0,1,0,0|1,0,0]=3 403 B15R2.24496 CC1(CC1)CNC(=O)c2ccncc2 AIFCHEM-6048210811 [0,1,0,1,0,0|2,0,0]=4 404 B15R2.24496 O=C(NCC1(CC1)F)c2cccnc2 AIFCHEM-5721455712 [0,1,0,1,0,0|2,0,0]=4 405 B15R2.29383 CC1(CN(C1)C(=O)c2ccccn2)F AIFCHEM-94561294880 [0,1,0,1,0,0|2,0,0]=4 406 B15R2.29383 CC1(CN(C1)C(=O)c2ccncc2)F AIFCHEM-94561292143 [0,1,0,1,0,0|2,0,0]=4 407 B15R2.3 CC1CC=C(CC1)c2ccc(cc2)O AIFCHEM-94562883973 [0,1,0,1,0,0|2,0,0]=4 408 B15R2.3 Cc1ccc(cc1)C2=CCC(CC2)C AIFCHEM-6341064271 [0,1,0,1,0,0|2,0,0]=4 409 B15R2.1520 CC1CN(C1)C(=O)c2ccc(=O)[nH]c2 AIFCHEM-5909190986 [0,1,0,1,0,0|2,0,0]=4 410 B15R2.1520 CC1CN(C1)C(=O)c2ccc(cc2)O AIFCHEM-5907828938 [0,1,0,1,0,0|1,0,0]=3 411 B15R2.1520 CC1CN(C1)C(=O)c2ccc(cn2)F AIFCHEM-5931028297 [0,1,0,1,0,0|2,0,0]=4 412 B15R2.1520 CC1CN(C1)C(=O)c2ccc(cn2)O AIFCHEM-94538174231 [0,1,0,1,0,0|2,0,0]=4 413 B15R2.1520 Cc1ccc(cc1)C(=O)N2CC(C2)C AIFCHEM-5907960715 [0,1,0,1,0,0|1,0,0]=3 414 B15R2.1520 Cc1ccc(cc1)C(=O)N2CC(C2)F AIFCHEM-5639083934 [0,1,0,1,0,0|2,0,0]=4 415 B15R2.1520 Cc1ccc(nc1)C(=O)N2CC(C2)C AIFCHEM-94527143981 [0,1,0,1,0,0|2,0,0]=4 416 B15R2.1520 O=C(c1ccc(cc1)Cl)N2CC(C2)F AIFCHEM-94519631564 [0,1,0,1,0,0|2,0,0]=4 417 B15R2.1529 Cc1ccc(cc1)C(=O)NC2CC2F AIFCHEM-94597373455 [0,1,0,1,0,0|2,0,0]=4 418 B15R2.1529 Cc1ccc(cc1)C(=O)N[C@@H]2C[C@H]2F AIFCHEM-5881006663 [0,1,0,1,0,0|2,0,0]=4 419 B15R2.1529 Cc1ccc(cc1)C(=O)N[C@H]2C[C@@H]2F AIFCHEM-6062472848 [0,1,0,1,0,0|2,0,0]=4 420 B15R2.1529 Cc1ccc(nc1)C(=O)N[C@@H]2C[C@H]2C AIFCHEM-94527144330 [0,1,0,1,0,0|2,0,0]=4 421 B15R2.1529 O=C(NC1CC1F)c2ccc(cc2)Cl AIFCHEM-94519624140 [0,1,0,1,0,0|2,0,0]=4 422 B15R2.1529 O=C(N[C@@H]1C[C@@H]1F)c2ccc(cc2)Cl AIFCHEM-94519624799 [0,1,0,1,0,0|2,0,0]=4 423 B15R2.1529 O=C(N[C@@H]1C[C@H]1F)c2ccc(cc2)Cl AIFCHEM-94519622435 [0,1,0,1,0,0|2,0,0]=4 424 B15R2.1529 O=C(N[C@H]1C[C@@H]1F)c2ccc(cc2)Cl AIFCHEM-94589293999 [0,1,0,1,0,0|2,0,0]=4 425 B15R2.1529 O=C(N[C@H]1C[C@H]1F)c2ccc(cc2)Cl AIFCHEM-94519624798 [0,1,0,1,0,0|2,0,0]=4 426 B11R1.29 CCCNC(=O)c1ccco1 AIFCHEM-94521381097 [1,0,0,0,1,0|2,0,0]=4 427 B11R1.91 CC(C)CNc1ccccn1 AIFCHEM-94572981495 [1,0,0,0,1,0|2,0,0]=4 428 B11R1.91 CC(C)CNc1cccnc1 AIFCHEM-94572981207 [1,0,0,0,1,0|2,0,0]=4 429 B11R1.77 CC(C)NC(=O)c1ccc[nH]1 AIFCHEM-94520550346 [0,0,0,0,2,0|2,0,0]=4 430 B13R1.44 CCCCC(=O)Nc1ccccn1 AIFCHEM-94586363259 [1,0,0,0,0,1|2,0,0]=4 431 B13R1.44 CCCCC(=O)Nc1ccncc1 AIFCHEM-94534099520 [1,0,0,0,0,1|2,0,0]=4 432 B13R1.337 CC(C)NCCCc1ccccc1 AIFCHEM-94520536453 [1,0,0,0,0,1|1,0,1]=4 433 B15R1.497 CC(C)CCCNC(=O)c1ccccc1 AIFCHEM-94565573879 [0,0,0,0,0,2|1,0,0]=3 434 B15R1.497 CC(C)OCCNC(=O)c1cccnc1 AIFCHEM-6255170998 [0,0,0,0,0,2|2,0,0]=4 435 B15R1.1081 CC(C)COCC(=O)Nc1ccccc1 AIFCHEM-94552042751 [0,0,0,0,0,2|0,0,0]=2 436 B15R1.1081 CC(C)COCC(=O)Nc1ccncc1 AIFCHEM-6172473925 [0,0,0,0,0,2|1,0,0]=3 437 B15R1.5919 CC(C)CNC(=O)CCc1ccccc1 AIFCHEM-94563731673 [0,0,0,0,0,2|1,0,0]=3 438 B15R1.5919 CC(C)CNC(=O)CCc1ccncc1 AIFCHEM-6144403566 [0,0,0,0,0,2|2,0,0]=4 439 B15R1.5919 CC(C)OCC(=O)NCc1ccccc1 AIFCHEM-94554639947 [0,0,0,0,0,2|2,0,0]=4 440 B15R1.5919 CC(C)SCC(=O)NCc1ccccc1 AIFCHEM-5794768640 [0,0,0,0,0,2|2,0,0]=4