smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
[NH3+]CC[C@H]1CCCCN1[C@@H]1N=C2c3c([O-])cccc3C(=O)c3cccc(c32)O1	ZINC000096937627	208332309	/nfs/dbraw/zinc/33/23/09/208332309.db2.gz	FRJTVIAAXPSDFL-DMZKTXOQSA-N	0	3	377.444	2.653	1	10		GFCFHN
Nc1ccc(CNC[C@@](O)(Cn2cncn2)c2ccc(Cl)cc2Cl)cc1	ZINC000029040354	207354035	/nfs/dbraw/zinc/35/40/35/207354035.db2.gz	VJUVFNKVWOQYGD-GOSISDBHSA-N	0	3	392.290	2.845	1	10		GFCFHN
CCCc1cc(I)cc(C[NH2+]CCCN(C)C)c1[O-]	ZINC000028242693	207337252	/nfs/dbraw/zinc/33/72/52/207337252.db2.gz	HISJYEUJUPMBIC-UHFFFAOYSA-N	0	3	376.282	2.991	1	10		GFCFHN
Nc1ccc(C[C@H]2NCCc3cc(O)c(O)cc32)cc1I	ZINC000011422312	204345507	/nfs/dbraw/zinc/34/55/07/204345507.db2.gz	QWTXDWOAXDXJFU-CQSZACIVSA-N	0	3	396.228	2.714	1	10		GFCFHN
CN(C)CCCn1c2c(c3cc4c(cc3c1=O)OCO4)C(=O)c1ccccc1-2	ZINC000028572379	207345352	/nfs/dbraw/zinc/34/53/52/207345352.db2.gz	VCEDYYXAJUDJQQ-UHFFFAOYSA-N	0	3	376.412	2.893	1	10		GFCFHN
CCN(CC)CCNc1ccc2c3c(nn2CCO)-c2ccccc2C(=O)c31	ZINC000028757544	207348520	/nfs/dbraw/zinc/34/85/20/207348520.db2.gz	FXCMBNVLROVBBC-UHFFFAOYSA-N	0	3	378.476	2.994	1	10		GFCFHN
COc1ccc(N2CCN(CC[C@H]3OCCc4cc(C(N)=O)ccc43)CC2)cc1	ZINC000013779785	221287986	/nfs/dbraw/zinc/28/79/86/221287986.db2.gz	OCFFXDBBLHVFSW-JOCHJYFZSA-N	0	3	395.503	2.620	1	10		GFCFHN