cid category smiles mol
0 AAR-POS-dddeddbf-5 covalent_warhead, nitrile_adduct C[C@@H]1CS/C(=N\NC(=O)C(=O)C(NC(=O)C2CCCCCC2)C2CCOCC2)N1C Mol
1 AAR-POS-fca48359-11 in_emolecules, covalent_warhead, acrylamide_adduct Cc1ccc(N(C(=O)C2N3C(=O)CC3S(=O)(=O)C2(C)C)C(C(=O)NC2CCCCC2)c2ccc(O)cc2)cc1 Mol
2 AAR-POS-fca48359-7 covalent_warhead, acrylamide_adduct O=C(O)[C@@H]1CCCN1C(=O)CC(CNC(=O)[C@@H]1CSCN1)c1ccc(Cl)cc1 Mol
3 CHR-GRO-51f79798-1 covalent_warhead, chloroacetamide_adduct Cc1nn(-c2ccccc2)c2c1C1(CCCCC1)SCC(=O)N2 Mol
4 CHR-GRO-51f79798-2 covalent_warhead, chloroacetamide_adduct Cc1nn(-c2ccc(Cl)cc2)c2c1C1(CCCCC1)SCC(=O)N2 Mol
5 CHR-GRO-51f79798-3 covalent_warhead, chloroacetamide_adduct COc1ccc(-n2nc(C)c3c2NC(=O)CSC32CCCCC2)cc1 Mol
6 CHR-GRO-51f79798-4 covalent_warhead, chloroacetamide_adduct Cc1nn(-c2ccc(F)cc2)c2c1C1(CCCCC1)SCC(=O)N2 Mol
7 FAR-UNI-736b943a-4 in_emolecules, covalent_frag, covalent_warhead, acrylamide_adduct O=C(O)[C@@H]1CCCN1C(=O)C[C@@H](CNC(=O)[C@@H]1CSCN1)c1ccc(Cl)cc1 Mol
8 FAR-UNI-9564ba6c-1 covalent_frag, covalent_warhead, acrylamide_adduct Cc1ccc(N(C(=O)[C@H]2N3C(=O)C[C@@H]3S(=O)(=O)C2(C)C)[C@@H](C(=O)NC2CCCCC2)c2ccc(O)cc2)cc1 Mol
9 JOH-CHE-3504ac3d-1 covalent_warhead, acrylamide_adduct CC(=O)NCCc1c[nH]c2c1NC(=O)C1CC3(CN(C(=O)Cl)CCN3CC(=N)N)SC21 Mol
10 JOH-CHE-3504ac3d-3 covalent_warhead, acrylamide_adduct C=C(C)CCCc1c[nH]c2c1NC(=O)C1CC(CCCC(=N)N)SC21 Mol
11 JON-UIO-cc955e79-8 covalent_frag, covalent_warhead, chloroacetamide_adduct, nitrile, nitrile_adduct N#CC1=CCCC=C1C1=NC(SCC(=O)NC2=CCN=CC2C(F)F)=NC(O)C1C#N Mol
12 MAK-UNK-1cb0e944-3 covalent_warhead, acrylamide_adduct NS(=O)(=O)CCC(=O)Nc1cscc1CN1CCC(O)CC1 Mol
13 MAK-UNK-372b0df5-1 covalent_warhead, chloroacetamide_adduct Cc1ccncc1NC(=O)C1SCN(CS(C)(=O)=O)C1=O Mol
14 MAK-UNK-372b0df5-2 covalent_warhead, acrylamide_adduct Cc1ccncc1NC(=O)CCSCC(NC=O)S(C)(=O)=O Mol
15 MAK-UNK-372b0df5-3 covalent_warhead, acrylamide_adduct Cc1ccncc1NC(=O)CCSCCS(C)(=O)=O Mol
16 MAK-UNK-5e88aa6a-5 covalent_warhead, acrylamide_adduct NS(=O)(=O)CCC(=O)Nc1cscc1CN1CCC(O)CC1 Mol
17 MAK-UNK-9159f8ed-1 covalent_frag, covalent_warhead, chloroacetamide_adduct COC(=O)c1cccc(NS(=O)(=O)CC(=O)Nc2cccc(N3CCCC3=O)c2)c1 Mol
18 MAK-UNK-b2c98f02-5 covalent_warhead, chloroacetamide_adduct O=C(Nc1cccnc1)C(C1CCCCC1)S(=O)(=O)NCCc1ccccc1 Mol
19 MAK-UNK-b2c98f02-6 covalent_warhead, acrylamide_adduct O=C(CC1(S(=O)(=O)NCCc2ccccc2)CCCCC1)Nc1cccnc1 Mol
20 MAK-UNK-c44f4be0-5 covalent_warhead, acrylamide_adduct CC(=O)NC(C(=O)NCC#CBr)C(c1ccc(O)cc1)S(=O)(=O)NCCc1ccccc1 Mol
21 MAK-UNK-c44f4be0-6 covalent_warhead, chloroacetamide_adduct CC(=O)NC(Cc1ccc(O)cc1)(C(=O)NCC#CBr)S(=O)(=O)NCCc1ccccc1 Mol
22 MAK-UNK-c44f4be0-8 covalent_warhead, chloroacetamide_adduct O=C(CS(=O)(=O)NCCc1ccccc1)NC(Cc1ccc(O)cc1)C(=O)NCC#CBr Mol
23 MAK-UNK-f2409524-29 covalent_warhead, nitrile_adduct CC(=O)Nc1cnccc1CCCN/C(=N\C1CCCCC1)SC1OCC(O)C1O Mol
24 MAT-POS-bfefc3ea-1 covalent_warhead, nitrile_adduct C[C@@H]1CS/C(=N\NC(=O)C(=O)[C@@H](NC(=O)C2CCCCCC2)C2CCOCC2)N1C Mol
25 MAT-POS-bfefc3ea-4 covalent_warhead, acrylamide_adduct CC[C@H](NC(=O)[C@H](CS(=O)(=O)CC1CC1)N[C@@H](c1ccc(F)cc1)C(F)(F)F)C(=O)C(=O)NC1CC1 Mol
26 RAM-SYN-2a37ce6c-1 covalent_frag, covalent_warhead, chloroacetamide_adduct CC(C)(O)c1ccccc1CC[C@H](SC1(CC(=O)O)CC1)C(=O)N1CCN(Cc2ccc3ccccc3c2)CC1 Mol
27 VIK-SYN-9a3d118a-5 covalent_frag, covalent_warhead, chloroacetamide_adduct CC(C)NC(=O)C1CCN(C(=O)CS(C)(=O)=O)CC1 Mol
28 VIK-SYN-bf9c9ac8-4 covalent_warhead, chloroacetamide_adduct CNC(=O)C1CCN(C(=O)CS(C)(=O)=O)CC1 Mol
29 WIL-LEE-364b6ea8-14 covalent_warhead, chloroacetamide_adduct O=C(NCC1=COCC=C1)C(=O)S(=O)(=O)[C@@H]1C=C(O)CC1 Mol
30 WIL-LEE-364b6ea8-16 covalent_warhead, acrylamide_adduct CC(=O)S(=O)(=O)CCC(=O)NC(=O)C(=O)c1ccccc1 Mol
31 WIL-LEE-364b6ea8-2 covalent_warhead, chloroacetamide_adduct O=C(NC(=O)S(=O)(=O)C(=O)/C=C/C=C/O)C(=O)S(=O)(=O)CC1=CCCC=C1 Mol
32 WIL-LEE-364b6ea8-21 covalent_warhead, chloroacetamide_adduct CNS(=O)(=O)CC(=O)N(C)C(=O)c1ccccc1C(=O)C(=O)C(=O)/C=C/CO Mol