0 B15R1.947 CCN(C)C(=O)CC(O)c1ccccc1 AIFCHEM-94563266785 [0,1,0,0,0,0|1,0,2]=4 1 B15R1.947 CCN(C)C(=O)CN(C)c1ccccc1 AIFCHEM-94563265461 [0,1,0,0,0,0|3,0,0]=4 2 B15R1.1076 CC(C)NC(=O)CC(O)c1ccccc1 AIFCHEM-94520548313 [0,1,0,0,0,0|1,0,2]=4 3 B13R1.47 CCCN(C)C(=O)c1ccccc1 AIFCHEM-94565582921 [0,0,0,0,1,0|3,0,0]=4 4 B15R1.89 CCNC(=O)CNC(=O)c1ccnnc1 AIFCHEM-5869007370 [0,0,0,0,0,1|3,0,0]=4 5 B15R1.89 CCNC(=O)CNC(C)c1ccccc1 AIFCHEM-94560531902 [0,0,0,0,0,1|2,0,1]=4 6 B15R1.809 CCOC(=O)CN(C)Cc1cccnc1 AIFCHEM-5819346205 [0,0,0,0,0,1|3,0,0]=4 7 B12R1.30 CCCNC(=O)c1ccccc1 AIFCHEM-94565582226 [2,0,0,0,0,0|1,0,1]=4 8 B14R1.156 CCCNC(=O)CSc1ccccc1 AIFCHEM-94521372545 [1,1,0,0,0,0|2,0,0]=4 9 B16R1.58 CCNC(=O)CNC(=O)c1ccc(=O)oc1 AIFCHEM-5845312670 [0,1,0,0,0,1|2,0,0]=4 10 B16R1.58 CCNC(=O)CNC(=O)c1ccc(cc1)Cl AIFCHEM-94519631586 [0,1,0,0,0,1|1,0,0]=3 11 B16R1.58 CCNC(=O)CNC(=O)c1ccc(cn1)O AIFCHEM-5794581349 [0,1,0,0,0,1|2,0,0]=4 12 B16R1.58 CCOC(=O)CNC(=O)c1ccc(=O)[nH]c1 AIFCHEM-5593167184 [0,1,0,0,0,1|1,0,0]=3 13 B16R1.58 CCOC(=O)CNC(=O)c1ccc(cc1)O AIFCHEM-5663504193 [0,1,0,0,0,1|0,0,0]=2 14 B16R1.58 CCOC(=O)CNC(=O)c1ccc(cn1)O AIFCHEM-5593581884 [0,1,0,0,0,1|1,0,0]=3 15 B16R1.58 CCOC(=O)CNC(=O)c1cnc(=O)[nH]c1 AIFCHEM-5663476796 [0,1,0,0,0,1|2,0,0]=4 16 B16R1.59 CCNC(=O)CNC(=O)c1cccc(c1)C AIFCHEM-5845691908 [0,1,0,0,0,1|1,0,0]=3 17 B16R1.59 CCNC(=O)CNC(=O)c1cccc(c1)F AIFCHEM-5794321578 [0,1,0,0,0,1|1,0,0]=3 18 B16R1.59 CCNC(=O)CNC(=O)c1cncc(c1)C AIFCHEM-5846744927 [0,1,0,0,0,1|2,0,0]=4 19 B16R1.59 CCOC(=O)CNC(=O)c1cc(=O)cco1 AIFCHEM-5616775635 [0,1,0,0,0,1|1,0,0]=3 20 B16R1.59 CCOC(=O)CNC(=O)c1cc(cnn1)Cl AIFCHEM-5594554715 [0,1,0,0,0,1|2,0,0]=4 21 B16R1.59 CCOC(=O)CNC(=O)c1ccnc(n1)Cl AIFCHEM-5593873060 [0,1,0,0,0,1|2,0,0]=4 22 B16R1.59 CCOC(=O)CNC(=O)c1cncc(c1)O AIFCHEM-5655788393 [0,1,0,0,0,1|1,0,0]=3 23 B16R1.59 CCOC(=O)CNC(=O)c1cncc(n1)Br AIFCHEM-5663258759 [0,1,0,0,0,1|2,0,0]=4 24 B16R1.59 CCOC(=O)CNC(C)c1cccc(c1)Br AIFCHEM-5593230259 [0,1,0,0,0,1|1,0,1]=4 25 B16R1.612 CC(C)NC(=O)CNC(=O)c1ccccc1 AIFCHEM-94520549216 [0,1,0,0,0,1|1,0,0]=3 26 B16R1.612 CC(C)OC(=O)CNC(=O)c1ccccc1 AIFCHEM-94565575993 [0,1,0,0,0,1|0,0,0]=2 27 B16R1.612 CC(C)OC(=O)CNC(=O)c1cccnc1 AIFCHEM-6242561526 [0,1,0,0,0,1|1,0,0]=3 28 B16R1.612 CC(C)OC(=O)CNC(=O)c1cccnn1 AIFCHEM-6242521048 [0,1,0,0,0,1|2,0,0]=4 29 B16R1.612 CC(C)OC(=O)CNC(=O)c1cnccn1 AIFCHEM-6242028279 [0,1,0,0,0,1|2,0,0]=4 30 B16R1.612 CC(C)OC(=O)CNC(=O)c1cncnc1 AIFCHEM-6216581197 [0,1,0,0,0,1|2,0,0]=4 31 B16R1.700 C#CCNC(=O)CCC(=O)c1ccccc1 AIFCHEM-6196323999 [0,1,0,0,0,1|1,0,1]=4 32 B16R1.700 CCCOC(=O)CNC(=O)c1ccncc1 AIFCHEM-94602842743 [0,1,0,0,0,1|1,0,0]=3 33 B16R1.700 CCCOC(=O)CNC(=O)c1ccncn1 AIFCHEM-94602841023 [0,1,0,0,0,1|2,0,0]=4 34 B16R1.700 O=C(CNC(=O)c1ccccc1)NCCF AIFCHEM-94565577572 [0,1,0,0,0,1|1,0,0]=3 35 B16R1.700 O=C(CNC(=O)c1ccncc1)NCCF AIFCHEM-5898041850 [0,1,0,0,0,1|2,0,0]=4 36 B16R1.912 CCNC(=O)[C@H](C)NC(=O)c1ccccc1 AIFCHEM-94595335432 [0,1,0,0,0,1|1,0,0]=3 37 B16R1.912 CCNC(=O)[C@H](C)NC(=O)c1ccccn1 AIFCHEM-94595337461 [0,1,0,0,0,1|2,0,0]=4 38 B16R1.912 CCNC(=O)[C@H](C)NC(=O)c1ccncc1 AIFCHEM-94595334724 [0,1,0,0,0,1|2,0,0]=4 39 B16R1.912 CCOC(=O)C(C)CN(C)c1ccccc1 AIFCHEM-94545178254 [0,1,0,0,0,1|2,0,0]=4 40 B16R1.912 CCOC(=O)C(C)NC(=O)c1ccnnc1 AIFCHEM-5847437891 [0,1,0,0,0,1|2,0,0]=4 41 B16R1.912 CCOC(=O)[C@@H](C)NC(=O)c1ccnnc1 AIFCHEM-6133852004 [0,1,0,0,0,1|2,0,0]=4 42 B16R1.912 CCOC(=O)[C@H](C)NC(=O)c1ccnnc1 AIFCHEM-5859546192 [0,1,0,0,0,1|2,0,0]=4 43 B16R1.912 CCSC(=O)[C@H](C)NC(=O)c1ccccc1 AIFCHEM-94565576361 [0,1,0,0,0,1|0,1,0]=3 44 B16R1.915 CCOC(=O)CN(C)C(=O)c1ccccc1 AIFCHEM-94565581904 [0,1,0,0,0,1|0,0,0]=2 45 B16R1.1145 CCN(C)C(=O)CCC(=O)c1ccccc1 AIFCHEM-6119222310 [0,1,0,0,0,1|1,0,0]=3 46 B16R1.1145 CCN(C)C(=O)CNC(=O)c1ccccc1 AIFCHEM-94554085900 [0,1,0,0,0,1|1,0,0]=3 47 B16R1.1145 CCN(C)C(=O)CNC(=O)c1ccccn1 AIFCHEM-94552255594 [0,1,0,0,0,1|2,0,0]=4 48 B16R1.5624 CCNC(=O)CNC(=O)c1ncccc1Br AIFCHEM-5821922546 [0,1,0,0,0,1|2,0,0]=4 49 B16R1.5624 CCNC(=O)CNC(=O)c1ncccc1Cl AIFCHEM-5869217690 [0,1,0,0,0,1|2,0,0]=4 50 B16R1.5624 CCNC(=O)CNC(=O)c1ncccc1I AIFCHEM-5869061347 [0,1,0,0,0,1|2,0,0]=4 51 B16R1.5624 CCOC(=O)CNC(=O)c1c[nH]cnc1=O AIFCHEM-5663761069 [0,1,0,0,0,1|2,0,0]=4 52 B16R1.5624 CCOC(=O)CNC(=O)c1cncnc1C AIFCHEM-5655838933 [0,1,0,0,0,1|2,0,0]=4 53 B16R1.955 CCOC(=O)CC(C)Nc1ccc(cc1)F AIFCHEM-94544061501 [0,1,0,0,0,1|1,0,1]=4 54 B16R1.955 CCOC(=O)CC(C)Nc1ccc(cc1)O AIFCHEM-94544066927 [0,1,0,0,0,1|1,0,1]=4 55 B16R1.1497 C#CCNC(=O)CC(=O)Oc1ccccc1 AIFCHEM-6221586261 [0,1,0,0,0,1|1,0,1]=4 56 B16R1.4235 CCOC(=O)CN(C)Cc1ccccc1O AIFCHEM-94532466565 [0,1,0,0,0,1|2,0,0]=4 57 B16R1.1522 CCOC(=O)CN(CC)c1cccc(c1)F AIFCHEM-94537419302 [0,2,0,0,0,0|2,0,0]=4 58 B16R1.1495 CCCNC(=O)CS(=O)(=O)c1ccccc1 AIFCHEM-94521378068 [0,2,0,0,0,0|2,0,0]=4 59 B14R2.21 O=C1C=C(CCC1)c2ccccc2 AIFCHEM-94590915155 [1,0,0,1,0,0|1,0,1]=4 60 B16R2.236 O=C1CN(CCN1)C(=O)c2ccccc2 AIFCHEM-94565582276 [0,0,0,1,0,1|1,0,0]=3 61 B16R2.236 O=C1CN(CCN1)C(=O)c2ccccn2 AIFCHEM-94578922713 [0,0,0,1,0,1|2,0,0]=4 62 B16R2.2899 C[C@@H]1CC(=O)CN1C(=O)c2ccccn2 AIFCHEM-5673670711 [0,0,0,1,0,1|2,0,0]=4 63 B16R2.3014 O=C(NC1CCNC1=O)c2cccnc2 AIFCHEM-5699354064 [0,0,0,1,0,1|2,0,0]=4 64 B16R2.3014 O=C(N[C@@H]1CCNC1=O)c2cccnc2 AIFCHEM-94577690097 [0,0,0,1,0,1|2,0,0]=4 65 B16R2.3014 O=C(N[C@@H]1CCOC1=O)c2cncnc2 AIFCHEM-94543708687 [0,0,0,1,0,1|2,0,0]=4 66 B16R2.3014 O=C(N[C@H]1CCNC1=O)c2cccnc2 AIFCHEM-5948672473 [0,0,0,1,0,1|2,0,0]=4 67 B16R2.3014 O=C(N[C@H]1CCOC1=O)c2cncnc2 AIFCHEM-6120522034 [0,0,0,1,0,1|2,0,0]=4 68 B14R1.743 COC(=O)CC(=O)Nc1cncnc1 AIFCHEM-94549713538 [1,0,0,0,0,1|2,0,0]=4 69 B14R1.158 CC/C=C/CC(=O)Nc1ccncc1 AIFCHEM-6159045869 [1,0,0,0,0,1|2,0,0]=4 70 B14R1.100 CCOC(=O)CNC(=O)c1cc[nH]c1 AIFCHEM-5644205716 [0,0,0,0,1,1|1,0,0]=3 71 B16R1.934 CCCC(=O)CCC(=O)Nc1ccccc1 AIFCHEM-94564735992 [0,0,0,0,0,2|1,0,0]=3 72 B16R1.934 CCCC(=O)CCC(=O)Nc1ccncc1 AIFCHEM-94533904268 [0,0,0,0,0,2|2,0,0]=4 73 B16R1.934 CCNC(=O)CNC(=O)Cc1ccncc1 AIFCHEM-5846224490 [0,0,0,0,0,2|2,0,0]=4 74 B16R1.934 CCOC(=O)CNC(=O)Cc1ccccn1 AIFCHEM-94576237060 [0,0,0,0,0,2|1,0,0]=3 75 B16R1.934 COCC(=O)NCC(=O)Nc1ccccc1 AIFCHEM-94527757640 [0,0,0,0,0,2|2,0,0]=4