smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc(-c2ccccc2)n1-c1ccc([NH+](C)C)cc1	ZINC000000266619	567047220	/nfs/dbraw/zinc/04/72/20/567047220.db2.gz	JXSWZCBAJQVLIB-UHFFFAOYSA-N	1	2	276.383	4.519	50	10		CJCALO
CCCc1[nH]c(-c2ccccc2)c(-c2ccccc2)[nH+]1	ZINC000000393671	567828772	/nfs/dbraw/zinc/82/87/72/567828772.db2.gz	HYQVIXGSNDUWKE-UHFFFAOYSA-N	1	2	262.356	4.696	50	10		CJCALO
Cc1ccc(-c2[nH+]c3ccccn3c2Nc2ccccc2)o1	ZINC000003906234	570329221	/nfs/dbraw/zinc/32/92/21/570329221.db2.gz	AZESAEVPZQWQQN-UHFFFAOYSA-N	1	2	289.338	4.646	50	10		CJCALO
Cc1ccc(Nc2c(-c3ccco3)[nH+]c3ccccn32)cc1	ZINC000003906249	570329047	/nfs/dbraw/zinc/32/90/47/570329047.db2.gz	AIVDZQMHHTVYFK-UHFFFAOYSA-N	1	2	289.338	4.646	50	10		CJCALO
Cc1ccc2[nH+]c(-c3ccco3)c(Nc3ccccc3)n2c1	ZINC000003909783	570329076	/nfs/dbraw/zinc/32/90/76/570329076.db2.gz	VHCMODDJFNSNAG-UHFFFAOYSA-N	1	2	289.338	4.646	50	10		CJCALO
CCN(CC)C1=CC(=O)C(=[NH+]Nc2ccccc2)C=C1	ZINC000004772938	170014545	/nfs/dbraw/zinc/01/45/45/170014545.db2.gz	JEECDDYJZTVOEJ-ISLYRVAYSA-N	1	2	269.348	4.654	50	10		CJCALO
CC(C)c1[nH]c(-c2ccccc2)c(-c2ccccc2)[nH+]1	ZINC000012633679	567864106	/nfs/dbraw/zinc/86/41/06/567864106.db2.gz	KDPMUOQKEHXSOI-UHFFFAOYSA-N	1	2	262.356	4.867	50	10		CJCALO
Cc1cccc2[nH+]c(-c3ccco3)c(Nc3ccccc3)n21	ZINC000100638359	230392182	/nfs/dbraw/zinc/39/21/82/230392182.db2.gz	IHASZXAAECHGAS-UHFFFAOYSA-N	1	2	289.338	4.646	50	10		CJCALO
Cc1cccn2c(Nc3ccccc3)c(-c3ccco3)[nH+]c12	ZINC000101265041	567940939	/nfs/dbraw/zinc/94/09/39/567940939.db2.gz	WNNSCGPRVGMOMC-UHFFFAOYSA-N	1	2	289.338	4.646	50	10		CJCALO
Cc1ccn2c(c1)[nH+]c(-c1ccco1)c2Nc1ccccc1	ZINC000101316689	567940965	/nfs/dbraw/zinc/94/09/65/567940965.db2.gz	QBJSXHRHUWFVOG-UHFFFAOYSA-N	1	2	289.338	4.646	50	10		CJCALO