smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc(C=O)c(C)n1-c1ccc([NH+]2CCCC2)cc1	ZINC000008701900	170347269	/nfs/dbraw/zinc/34/72/69/170347269.db2.gz	KYQBDYOADFNHRI-UHFFFAOYSA-N	1	2	268.360	3.507	40	10		CHCBLO
Cc1cc(C=O)c(C)n1-c1ccccc1[NH+]1CCCCC1	ZINC000008701902	567939153	/nfs/dbraw/zinc/93/91/53/567939153.db2.gz	PKRBRWCOLDBLAC-UHFFFAOYSA-N	1	2	282.387	3.897	40	10		CHCBLO
Cc1ccc(-c2ccncc2)n1-c1ccc([NH+](C)C)cc1	ZINC000228980275	1128180552	/nfs/dbraw/zinc/18/05/52/1128180552.db2.gz	IRNMFILIFIEEMY-UHFFFAOYSA-N	1	2	277.371	3.914	40	10		CHCBLO
O=C(Nc1c2ccccc2[nH+]c2ccccc21)C(F)F	ZINC000005391058	170093802	/nfs/dbraw/zinc/09/38/02/170093802.db2.gz	KOIQLOKFSBHBGH-UHFFFAOYSA-N	1	2	272.254	3.592	40	10		CHCBLO
Cc1n[n+]2c(c3ccccc13)SC(c1ccccc1)C2=O	ZINC000012176695	567114281	/nfs/dbraw/zinc/11/42/81/567114281.db2.gz	UPZYFIGBAAKIFS-UHFFFAOYSA-O	1	2	293.371	3.716	40	10		CHCBLO
Oc1cc2c[nH+]cc(Cc3ccc(Cl)cc3)c2cc1O	ZINC000095868184	185030208	/nfs/dbraw/zinc/03/02/08/185030208.db2.gz	RPCLPHHQEYSOPH-UHFFFAOYSA-N	1	2	285.730	3.890	40	10		CHCBLO
Oc1c(Cl)cc(Cl)cc1C[NH2+]Cc1ccccc1	ZINC000019899593	567879699	/nfs/dbraw/zinc/87/96/99/567879699.db2.gz	GAVCOMHBQRFCAG-UHFFFAOYSA-N	1	2	282.170	3.989	40	10		CHCBLO
CCNC(=O)Nc1c2ccccc2[nH+]c2ccccc21	ZINC000019015425	567876822	/nfs/dbraw/zinc/87/68/22/567876822.db2.gz	UFWRSPZMRQUQTG-UHFFFAOYSA-N	1	2	265.316	3.529	40	10		CHCBLO
Cc1cc2[nH+]c(-c3ccc(N(C)C)cc3)[nH]c2c(C)c1	ZINC000122329932	187027158	/nfs/dbraw/zinc/02/71/58/187027158.db2.gz	LTIJXCXWEVBZGB-UHFFFAOYSA-N	1	2	265.360	3.913	40	10		CHCBLO
Cc1ccc(-c2ccccn2)n1-c1ccc([NH+](C)C)cc1	ZINC000228928173	570372936	/nfs/dbraw/zinc/37/29/36/570372936.db2.gz	SHJIGTHEAXKGJQ-UHFFFAOYSA-N	1	2	277.371	3.914	40	10		CHCBLO
Cc1ccc(-c2cccnc2)n1-c1ccc([NH+](C)C)cc1	ZINC000228926380	570372928	/nfs/dbraw/zinc/37/29/28/570372928.db2.gz	BZTUXSCRBSOBLC-UHFFFAOYSA-N	1	2	277.371	3.914	40	10		CHCBLO
Cc1ccc(-c2cccn2C)n1-c1ccc([NH+](C)C)cc1	ZINC000228928307	570372944	/nfs/dbraw/zinc/37/29/44/570372944.db2.gz	DCUYCDIYUOVTNK-UHFFFAOYSA-N	1	2	279.387	3.857	40	10		CHCBLO