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[1aa732]: / tests / test_sets / molnet / sider.csv

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#	smiles	Hepatobiliary disorders	Metabolism and nutrition disorders	Product issues	Eye disorders	Investigations	Musculoskeletal and connective tissue disorders	Gastrointestinal disorders	Social circumstances	Immune system disorders	Reproductive system and breast disorders	Neoplasms benign, malignant and unspecified (incl cysts and polyps)	General disorders and administration site conditions	Endocrine disorders	Surgical and medical procedures	Vascular disorders	Blood and lymphatic system disorders	Skin and subcutaneous tissue disorders	Congenital, familial and genetic disorders	Infections and infestations	Respiratory, thoracic and mediastinal disorders	Psychiatric disorders	Renal and urinary disorders	Pregnancy, puerperium and perinatal conditions	Ear and labyrinth disorders	Cardiac disorders	Nervous system disorders	Injury, poisoning and procedural complications
1	C(CNCCNCCNCCN)N	1	1	0	0	1	1	1	0	0	0	0	1	0	0	0	0	1	0	0	1	1	0	0	1	1	1	0
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5	C1C(C2=CC=CC=C2N(C3=CC=CC=C31)C(=O)N)O	1	1	0	1	1	1	1	0	1	0	0	1	0	0	1	1	1	0	1	1	1	0	0	1	0	1	0
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12	C1CC[C@H]([C@@H](C1)CN2CCN(CC2)C3=NSC4=CC=CC=C43)CN5C(=O)[C@H]6[C@@H]7CC[C@@H](C7)[C@H]6C5=O	1	1	0	1	1	1	1	0	0	1	0	1	1	0	1	1	1	0	1	1	1	1	1	1	1	1	1
13	CCCSC1=NC2=C(C(=N1)N[C@@H]3C[C@H]3C4=CC(=C(C=C4)F)F)N=NN2[C@@H]5C[C@@H]([C@H]([C@H]5O)O)OCCO	0	1	0	1	1	1	1	0	1	1	1	1	0	0	1	1	1	0	0	1	1	1	0	1	1	1	1
14	C1CN(CC2=C1SC=C2)CC3=CC=CC=C3Cl	1	1	0	1	1	1	1	0	1	0	1	1	0	0	1	1	1	0	1	1	0	1	0	1	0	1	1
15	Cl[Tl]	0	0	0	1	1	0	1	0	1	0	0	1	0	0	1	0	1	0	1	1	0	0	0	0	0	1	0
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18	CN1C2=C(C=C(C=C2)N(CCCl)CCCl)N=C1CCCC(=O)O	0	1	0	0	1	1	1	0	1	0	1	1	0	0	1	1	1	0	1	1	1	1	0	0	1	1	1
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54	C	0	1	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0
55	C1=CC(=CC=C1C(C(CO)NC(=O)C(Cl)Cl)O)[N+](=O)[O-]	0	0	0	1	1	0	1	0	1	0	1	1	0	0	1	1	1	0	1	1	1	1	0	0	1	1	0
56	CC(CCC(=O)O)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C	1	0	0	0	1	0	1	0	0	0	0	1	0	0	0	0	1	0	0	0	0	0	0	0	0	1	0
57	CC1=NC=CN1.C1C(O1)CCl	1	1	0	0	1	1	1	0	0	0	0	1	1	0	1	0	1	0	1	0	1	0	0	0	1	1	0
58	C[N+](C)(C)CCO	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
59	C(C(=O)O)C(CC(=O)O)(C(=O)O)O	1	1	0	0	1	0	1	0	0	0	0	1	0	0	1	0	0	0	0	0	1	0	0	0	0	1	1
60	[Cl-]	0	1	0	0	1	0	1	0	0	0	0	1	0	0	1	0	1	0	1	0	0	0	0	0	0	0	0
61	COC1=CC=C(C=C1)N2C3=C(CCN(C3=O)C4=CC=C(C=C4)N5CCCCC5=O)C(=N2)C(=O)N	1	1	0	1	1	1	1	0	1	1	0	1	0	0	1	1	1	0	0	1	0	1	0	0	0	1	1
62	CCOC1=CC=CC=C1O[C@H]([C@@H]2CNCCO2)C3=CC=CC=C3	0	1	0	1	1	1	1	1	1	1	0	1	0	0	1	1	1	0	1	1	1	1	0	1	1	1	1
63	C1=CC2=C(C(=C1)Cl)SC=C2COC(CN3C=CN=C3)C4=C(C=C(C=C4)Cl)Cl	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0
64	CC1=C(C(C(=C(N1)C)C(=O)OC(C)(C)CN(C)CCC(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)OC	1	1	0	1	1	1	1	0	1	1	0	1	0	0	1	1	1	0	1	1	1	1	0	1	1	1	1
65	C1=CC=C(C(=C1)C(=O)O)O	1	1	0	0	1	0	1	0	0	0	1	1	0	0	0	0	1	0	0	1	1	0	0	1	0	1	1
66	CC1=CC=CN2C1=NC=C(C2=O)C3=NNN=N3	0	0	0	1	1	1	0	0	1	1	0	1	0	0	0	0	0	0	1	1	0	0	0	0	0	1	0
67	CC1=CC(=C(C(=C1C=CC(=CC=CC(=CC(=O)O)C)C)C)C)OC	1	1	0	1	1	1	1	1	1	1	1	1	0	0	1	1	1	1	1	1	1	1	0	1	1	1	1
68	C1C(C(=O)NO1)N	0	0	0	0	0	1	0	0	1	0	0	1	0	0	0	0	1	0	0	0	1	0	0	1	1	1	1
69	CCN(CC)CCOC(=O)C1=C(C=C(C=C1)N)Cl	0	1	0	1	1	1	1	0	0	0	0	0	0	1	1	0	1	1	0	1	1	0	0	1	1	1	1
70	CCOC1=CC=CC=C1OCCN[C@@H](C)CC2=CC(=C(C=C2)OC)S(=O)(=O)N.Cl	0	1	0	1	1	1	1	0	1	1	0	1	0	0	1	0	1	1	1	1	1	1	0	1	1	1	1
71	CC(C(=O)C1=CC(=CC=C1)Cl)NC(C)(C)C	1	1	0	1	1	1	1	1	1	1	1	1	1	1	1	1	1	0	1	1	1	1	1	1	1	1	1
72	CC12CCC3C(C1CCC2O)CCC4=C3C=CC(=C4)O	1	1	0	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
73	C(C(C(C(C(CO)O)O)O)O)O	0	1	0	1	1	1	1	0	1	0	0	1	0	0	1	0	1	0	1	1	1	1	0	1	1	1	1
74	CC[C@@H]([C@H](C)O)N1C(=O)N(C=N1)C2=CC=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)OCC5C[C@](OC5)(CN6C=NC=N6)C7=C(C=C(C=C7)F)F	1	1	0	1	1	1	1	1	1	1	1	1	1	1	1	1	1	0	1	1	1	1	0	1	1	1	1
75	CC(C)CN(C[C@H]([C@H](CC1=CC=CC=C1)NC(=O)O[C@H]2CCOC2)OP(=O)([O-])[O-])S(=O)(=O)C3=CC=C(C=C3)N.[Ca+2]	0	1	0	0	1	1	1	0	1	1	0	1	1	0	1	1	1	0	1	0	0	1	0	0	1	1	0
76	C1=CC=C2C(=C1)C(=O)OC23C4=C(C=C(C=C4)O)OC5=C3C=CC(=C5)O	0	0	0	1	0	0	1	0	1	1	1	1	0	1	1	0	1	0	0	1	0	1	0	0	1	1	1
77	CCC1=NC=CC(=C1)C(=S)N	1	1	0	1	1	0	1	0	1	1	0	0	1	0	1	1	1	0	0	0	1	0	0	0	0	1	0
78	C1C(C(OC1N2C=NC(=NC2=O)N)CO)O	1	1	0	1	1	1	1	0	1	0	1	1	0	0	1	1	1	0	1	1	1	1	0	1	1	1	1
79	C1=CC=C(C=C1)C2=NC3=C(N=C2N)N=C(N=C3N)N	1	1	0	0	1	0	1	0	1	0	0	1	0	0	0	1	1	0	0	0	0	1	0	0	0	1	1
80	CC1=C(C(=O)N2CCCC(C2=N1)O)CCN3CCC(CC3)C4=NOC5=C4C=CC(=C5)F	1	1	0	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
81	C(CCC(=O)O)CCN	0	0	0	1	1	1	1	0	1	0	0	1	0	0	1	1	1	0	0	1	1	1	0	1	1	1	1
82	CC(=O)NC(CS)C(=O)O	0	0	0	1	1	0	1	1	1	0	0	1	0	0	1	0	1	0	1	1	1	0	0	1	1	1	0
83	CN1CCC23C4C1CC5=C2C(=C(C=C5)OC)OC3C(C=C4)O	1	1	0	1	1	1	1	0	1	1	0	1	0	1	1	0	1	0	1	1	1	1	0	1	1	1	1
84	C1=CN(C(=O)N=C1N)C2C(C(C(O2)CO)O)O	1	1	0	1	1	1	1	0	1	0	1	1	0	0	1	1	1	0	1	1	1	1	0	1	1	1	1
85	C(CS(=O)(=O)O)S	1	1	0	1	1	1	1	0	1	0	0	1	0	0	1	1	1	0	1	1	1	1	0	0	1	1	1
86	CNC1=CC=C(C=C1)/C=C/C2=CN=C(C=C2)OCCOCCOCC[18F]	0	0	0	0	1	1	1	0	0	0	1	1	0	0	1	0	1	0	0	0	1	0	0	0	0	1	0
87	CC(C(=O)O)O	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	1	1	0	0	0	0	0	0	0	0	0
88	CN1C2=C(C(=O)N(C1=O)C)NC=N2.C[N+](C)(C)CCO	0	1	0	0	0	1	1	0	0	0	0	0	1	0	1	1	1	0	0	1	1	1	0	0	1	1	1
89	C#CCC(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	0	1	0	0	1	1	1	0	0	0	1	1	0	0	0	1	1	0	1	1	0	1	0	0	1	0	1
90	C1CC(=O)C(C(=O)C1)C(=O)C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]	1	1	0	1	1	0	1	0	0	1	1	1	0	0	1	1	1	1	1	1	1	0	0	0	1	1	1
91	C1=CC=C(C=C1)C(=C(C2=CC=CC=C2)C3=CC=C(C=C3)OCCO)CCCl	0	0	0	0	0	1	0	0	0	1	1	0	0	0	1	0	1	0	0	0	0	0	0	0	1	1	0
92	[H+].[H+].CNC[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O.CNC[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O.C1=CC=C(C=C1)COCC(C(=O)[O-])N(CCN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Gd+3]	1	1	0	1	1	1	1	0	1	0	0	1	0	1	1	1	1	0	1	1	1	1	0	1	1	1	1
93	CN1C[C@@H]2C(C1)C3=CC=CC=C3OC4=C2C=C(C=C4)Cl	1	1	0	1	1	1	1	0	1	1	0	1	1	0	1	1	1	0	0	1	1	0	1	0	1	1	1
94	CS(=O)C	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1
95	C1=CC(=C(C=C1CCN)O)O	0	0	0	0	1	0	1	0	0	1	0	1	0	0	1	0	1	0	1	1	1	1	0	0	1	1	0
96	CC12CCC3C(C1CCC2=O)CCC4=C3C=CC(=C4)O	1	1	0	1	1	1	1	0	1	1	1	1	0	0	1	0	1	1	1	1	1	0	0	0	1	1	0
97	CC12CCC3C(C1CCC2=O)CCC4=C3C=CC(=C4)OS(=O)(=O)O	1	1	0	1	1	1	1	0	1	1	1	1	0	0	1	0	1	1	1	1	1	0	0	1	1	1	1
98	C(CO)N	0	0	0	1	1	0	1	0	1	0	0	1	0	0	1	1	0	0	1	1	0	1	0	0	0	1	1
99	C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=C3C=CC(=C4)O.C[C@]12CC[C@H]3[C@H]([C@@H]1C[C@H]([C@@H]2O)O)CCC4=C3C=CC(=C4)O	1	0	0	1	1	1	1	0	1	1	1	1	0	0	1	0	1	0	1	1	1	0	0	0	1	1	0
100	CC(C)OC(=O)CCCC=CC[C@H]1[C@H](C[C@H]([C@@H]1C=CC(COC2=CC=CC(=C2)C(F)(F)F)O)O)O	0	1	0	1	1	1	1	0	1	1	1	1	0	0	1	0	1	0	1	1	1	1	0	1	1	1	1