smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCCCCCCOC(=[NH2+])NC=NNc1ccc(Cl)cc1	ZINC000584600982	337370793	/nfs/dbraw/zinc/37/07/93/337370793.db2.gz	FDSYICQDBJUBPV-UHFFFAOYSA-N	1	2	324.856	4.597	10	30		DJEELO
C=CC[N@H+](Cc1ccc(C)s1)Cc1nc(C(C)C)cs1	ZINC000067514504	518778474	/nfs/dbraw/zinc/77/84/74/518778474.db2.gz	KEPQMXYVCBNVRB-UHFFFAOYSA-N	1	2	306.500	4.825	10	30		DJEELO
C=CC[N@@H+](Cc1ccc(C)s1)Cc1nc(C(C)C)cs1	ZINC000067514504	518778481	/nfs/dbraw/zinc/77/84/81/518778481.db2.gz	KEPQMXYVCBNVRB-UHFFFAOYSA-N	1	2	306.500	4.825	10	30		DJEELO
CCOc1ccc(C=Nc2ccc3[nH]c(C(C)C)[nH+]c3c2)cc1	ZINC000005939588	181298652	/nfs/dbraw/zinc/29/86/52/181298652.db2.gz	SQYHTTOLXDCLTK-UDWIEESQSA-N	1	2	307.397	4.836	10	30		DJEELO
C=C(Br)Cn1c2ccccc2[nH+]c1C(CC)CC	ZINC000005547722	181256166	/nfs/dbraw/zinc/25/61/66/181256166.db2.gz	BFJWMYOFFIVSFK-UHFFFAOYSA-N	1	2	307.235	4.849	10	30		DJEELO
CC(C)(C)C#Cc1ccccc1-c1ccc2[nH+]c(N)ccc2c1	ZINC000072178387	191071463	/nfs/dbraw/zinc/07/14/63/191071463.db2.gz	IFUYBWIZKMAADM-UHFFFAOYSA-N	1	2	300.405	4.882	10	30	in-vitro	DJEELO
N#Cc1ccc(Nc2cc[nH+]c3c2cccc3C(F)(F)F)cc1	ZINC000039963857	183025903	/nfs/dbraw/zinc/02/59/03/183025903.db2.gz	FFQDRSXWDILGFR-UHFFFAOYSA-N	1	2	313.282	4.869	10	30		DJEELO
C=C(Br)Cn1c2ccccc2[nH+]c1CCCCC	ZINC000005547682	181255928	/nfs/dbraw/zinc/25/59/28/181255928.db2.gz	DYNRKWZBWUOARV-UHFFFAOYSA-N	1	2	307.235	4.678	10	30		DJEELO
C=CCc1cccc(C=Nc2ccc3[nH]c(C(C)C)[nH+]c3c2)c1O	ZINC000005911487	181295654	/nfs/dbraw/zinc/29/56/54/181295654.db2.gz	IKTGFGAVZKFGBF-CIAFOILYSA-N	1	2	319.408	4.871	10	30		DJEELO
N#Cc1ccccc1Nc1cc[nH+]c2c1cccc2C(F)(F)F	ZINC000039963841	183025854	/nfs/dbraw/zinc/02/58/54/183025854.db2.gz	YLDHQTMUZYEIKN-UHFFFAOYSA-N	1	2	313.282	4.869	10	30		DJEELO