smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=C(C)CN(CC)C(=O)C1CCN(C2CC[NH+](Cc3ccccc3C)CC2)CC1	ZINC000071278893	518591818	/nfs/dbraw/zinc/59/18/18/518591818.db2.gz	WQRWYMXEDSPUIZ-UHFFFAOYSA-N	1	3	397.607	4.096	50	30		GIEAHO
C=C[C@@H]1CN2CC[C@@H]1C[C@@H]2[C@H](O)c1cc[n+](Cc2ccccc2)c2ccccc12	ZINC000004016328	206227686	/nfs/dbraw/zinc/22/76/86/206227686.db2.gz	QANGUEGDIZBQNM-FJIJVGMHSA-N	1	3	385.531	4.105	50	30		GIEAHO
Cc1cc(N2CCC3(CCC[N@H+]3Cc3cc(C#N)n(C)c3)CC2)c2ccccc2n1	ZINC000072439296	136170510	/nfs/dbraw/zinc/17/05/10/136170510.db2.gz	YCNKWVKXSFZSTO-UHFFFAOYSA-N	1	3	399.542	4.388	50	30		GIEAHO
Cc1cc(N2CCC3(CCC[N@@H+]3Cc3cc(C#N)n(C)c3)CC2)c2ccccc2n1	ZINC000072439296	136170511	/nfs/dbraw/zinc/17/05/11/136170511.db2.gz	YCNKWVKXSFZSTO-UHFFFAOYSA-N	1	3	399.542	4.388	50	30		GIEAHO
Cc1ccc(CN2CCC(C[N@@H+](C)Cc3ccc(C#CC(C)(C)O)cc3)CC2)o1	ZINC000012718895	524437455	/nfs/dbraw/zinc/43/74/55/524437455.db2.gz	FCUSYRUCYOSIFU-UHFFFAOYSA-N	1	3	394.559	4.054	50	30		GIEAHO
Cc1ccc(CN2CCC(C[N@H+](C)Cc3ccc(C#CC(C)(C)O)cc3)CC2)o1	ZINC000012718895	524437465	/nfs/dbraw/zinc/43/74/65/524437465.db2.gz	FCUSYRUCYOSIFU-UHFFFAOYSA-N	1	3	394.559	4.054	50	30		GIEAHO
CC1(C)SC(=S)N(c2ccccc2)C1[N+](=O)Cc1cccc([N+](=O)[O-])c1	ZINC000001304045	570956768	/nfs/dbraw/zinc/95/67/68/570956768.db2.gz	BKGHXCZAKDLDTK-JJBLJPBOSA-N	1	3	387.486	4.167	50	30		GIEAHO
CN(C)c1ccc(C[N+](=O)C2N(c3ccccc3)C(=S)SC2(C)C)cc1	ZINC000002266349	209353539	/nfs/dbraw/zinc/35/35/39/209353539.db2.gz	ZTENRBUOFCPZTN-GFHXCNCHSA-N	1	3	385.558	4.325	50	30		GIEAHO
CN(C)c1ccc(C[N+](=O)C2N(c3ccccc3)C(=S)SC2(C)C)cc1	ZINC000002266351	209353860	/nfs/dbraw/zinc/35/38/60/209353860.db2.gz	ZTENRBUOFCPZTN-QWQBBLJPSA-N	1	3	385.558	4.325	50	30		GIEAHO
C=C[C@@H]1CN2CC[C@H]1C[C@@H]2[C@@H](O)c1cc[n+](Cc2ccccc2)c2ccccc12	ZINC000000976488	570343419	/nfs/dbraw/zinc/34/34/19/570343419.db2.gz	QANGUEGDIZBQNM-DYCBMTEISA-N	1	3	385.531	4.105	50	30		GIEAHO
CC1(C)SC(=S)N(c2ccccc2)C1[N+](=O)Cc1cccc([N+](=O)[O-])c1	ZINC000001304047	212233736	/nfs/dbraw/zinc/23/37/36/212233736.db2.gz	BKGHXCZAKDLDTK-BKAYVGFPSA-N	1	3	387.486	4.167	50	30		GIEAHO