smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCOc1ccc(C(=O)NCCCN2CCN(C)CC2)cc1	ZINC000217013009	407499265	/nfs/dbraw/zinc/49/92/65/407499265.db2.gz	HETKHHVWCJBWQM-UHFFFAOYSA-N	0	3	319.449	1.843	40	70		DDIBHN
Cn1c2ccc(NC(=O)CC3CCN(C)CC3)cc2n(C)c1=O	ZINC000216896315	484141546	/nfs/dbraw/zinc/14/15/46/484141546.db2.gz	KLOSWQKJKJQGLH-UHFFFAOYSA-N	0	3	316.405	1.547	40	70		DDIBHN
COCCNC(=O)c1ccccc1NC(=O)[C@H]1CCCN(C)C1	ZINC000216909616	484142016	/nfs/dbraw/zinc/14/20/16/484142016.db2.gz	GMCNGXZFMIAPPD-ZDUSSCGKSA-N	0	3	319.405	1.343	40	70		DDIBHN
COc1ccc(Cc2nc3c(c(=O)[n-]2)C[N@H+](C)CC3)cc1OC	ZINC000216845289	484141832	/nfs/dbraw/zinc/14/18/32/484141832.db2.gz	YZAARHPNXHMFJZ-UHFFFAOYSA-N	0	3	315.373	1.366	40	70		DDIBHN
COc1ccc(Cc2nc3c(c(=O)[n-]2)C[N@@H+](C)CC3)cc1OC	ZINC000216845289	484141838	/nfs/dbraw/zinc/14/18/38/484141838.db2.gz	YZAARHPNXHMFJZ-UHFFFAOYSA-N	0	3	315.373	1.366	40	70		DDIBHN
COc1ccc(CNC(=O)C2CCN(C)CC2)c(OC)c1OC	ZINC000216921572	484142279	/nfs/dbraw/zinc/14/22/79/484142279.db2.gz	GCEGHMREYBIMKX-UHFFFAOYSA-N	0	3	322.405	1.670	40	70		DDIBHN
COc1cc(OC)cc(OCC(=O)NC2CCN(C)CC2)c1	ZINC000217010264	407498970	/nfs/dbraw/zinc/49/89/70/407498970.db2.gz	NKWTUGNTPHAMGU-UHFFFAOYSA-N	0	3	308.378	1.293	40	70		DDIBHN
COc1ccc(OC[C@@H](C)NC(=O)C2CCN(C)CC2)cc1	ZINC000216921943	484142091	/nfs/dbraw/zinc/14/20/91/484142091.db2.gz	BAEHVYCTAWSQME-CYBMUJFWSA-N	0	3	306.406	1.921	40	70		DDIBHN
COCCNC(=O)c1ccccc1NC(=O)C1CCN(C)CC1	ZINC000216920850	484141576	/nfs/dbraw/zinc/14/15/76/484141576.db2.gz	KNGAEFMABMFAHD-UHFFFAOYSA-N	0	3	319.405	1.343	40	70		DDIBHN
C[C@@H](NC(=O)C1CCN(C)CC1)c1ccc(S(C)(=O)=O)cc1	ZINC000216924988	484142899	/nfs/dbraw/zinc/14/28/99/484142899.db2.gz	BYTORTBOZNHKEG-GFCCVEGCSA-N	0	3	324.446	1.609	40	70		DDIBHN
Cn1c2ccc(NC(=O)C3CCN(C)CC3)cc2n(C)c1=O	ZINC000216921003	484142150	/nfs/dbraw/zinc/14/21/50/484142150.db2.gz	RGCABUZYQTVSBH-UHFFFAOYSA-N	0	3	302.378	1.157	40	70		DDIBHN
COc1ccc(OC[C@H](C)NC(=O)C2CCN(C)CC2)cc1	ZINC000216921966	484142034	/nfs/dbraw/zinc/14/20/34/484142034.db2.gz	BAEHVYCTAWSQME-ZDUSSCGKSA-N	0	3	306.406	1.921	40	70		DDIBHN
C[C@H](NC(=O)C1CCN(C)CC1)c1ccc(S(C)(=O)=O)cc1	ZINC000216925008	484142075	/nfs/dbraw/zinc/14/20/75/484142075.db2.gz	BYTORTBOZNHKEG-LBPRGKRZSA-N	0	3	324.446	1.609	40	70		DDIBHN
COc1cccc(OC)c1/C=C/C(=O)NC1CCN(C)CC1	ZINC000216796786	490696998	/nfs/dbraw/zinc/69/69/98/490696998.db2.gz	VHVKWLDTTHGIHK-BQYQJAHWSA-N	0	3	304.390	1.927	40	70		DDIBHN
COCCNC(=O)c1ccccc1NC(=O)[C@@H]1CCCN(C)C1	ZINC000216909586	484142325	/nfs/dbraw/zinc/14/23/25/484142325.db2.gz	GMCNGXZFMIAPPD-CYBMUJFWSA-N	0	3	319.405	1.343	40	70		DDIBHN
CC(C)Oc1ccc(C(=O)NCCCN2CCN(C)CC2)cc1	ZINC000217013313	407499378	/nfs/dbraw/zinc/49/93/78/407499378.db2.gz	CKKUGWFJNYYJBK-UHFFFAOYSA-N	0	3	319.449	1.841	40	70		DDIBHN
COc1cc(CNC(=O)C2CCN(C)CC2)cc(OC)c1OC	ZINC000216922571	484142401	/nfs/dbraw/zinc/14/24/01/484142401.db2.gz	KLOIKBXUAGYFKT-UHFFFAOYSA-N	0	3	322.405	1.670	40	70		DDIBHN