smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[NH+]1CCN(C2=NC(=O)/C(=C\c3ccco3)S2)CC1	ZINC000059497971	359820988	/nfs/dbraw/zinc/82/09/88/359820988.db2.gz	HBWXFMHDWLRRPI-PKNBQFBNSA-N	1	2	277.349	1.497	40	10		CDCBLO
CO[C@@]12ON[C@@H](c3ccccc3O)[C@H]1[NH+]1CCC2CC1	ZINC000041999302	358902041	/nfs/dbraw/zinc/90/20/41/358902041.db2.gz	NQZFTYQRBZFXFE-ZNMIVQPWSA-N	1	2	276.336	1.405	40	10		CDCBLO
Nc1ccc(Nc2cc(N3CCOCC3)nc[nH+]2)cc1	ZINC000217512648	375662207	/nfs/dbraw/zinc/66/22/07/375662207.db2.gz	JBZVSTZFGUENCF-UHFFFAOYSA-N	1	2	271.324	1.639	40	10		CDCBLO
COc1cc([N+](=O)[O-])c(N2CC[NH+](C)CC2)c([N+](=O)[O-])c1	ZINC000045886699	277389214	/nfs/dbraw/zinc/38/92/14/277389214.db2.gz	HVVYSHDRPMZKTI-UHFFFAOYSA-N	1	2	296.283	1.263	40	10		CDCBLO
Cc1cc(Cl)cc(C[N@H+](C)CN2C(=O)CCC2=O)c1O	ZINC000031659441	356767674	/nfs/dbraw/zinc/76/76/74/356767674.db2.gz	COKANFZMEXGFTA-UHFFFAOYSA-N	1	2	296.754	1.892	40	10		CDCBLO
Cc1cc(Cl)cc(C[N@@H+](C)CN2C(=O)CCC2=O)c1O	ZINC000031659441	356767678	/nfs/dbraw/zinc/76/76/78/356767678.db2.gz	COKANFZMEXGFTA-UHFFFAOYSA-N	1	2	296.754	1.892	40	10		CDCBLO
Cc1cc(=O)oc2c1ccc(O)c2C[NH2+]CCCO	ZINC000032501336	356780690	/nfs/dbraw/zinc/78/06/90/356780690.db2.gz	WTPWMSXBAHGZLF-UHFFFAOYSA-N	1	2	263.293	1.279	40	10		CDCBLO
O=[N+]([O-])c1ccc(O)c(C[NH+]2CCC(O)CC2)c1	ZINC000078515624	177348894	/nfs/dbraw/zinc/34/88/94/177348894.db2.gz	HGVKPZVLRVAQEZ-UHFFFAOYSA-N	1	2	252.270	1.257	40	10		CDCBLO
Cc1cc(N2CCOCC2)nc(Nc2ccc(N)cc2)[nH+]1	ZINC000217504800	375660655	/nfs/dbraw/zinc/66/06/55/375660655.db2.gz	WDHBDXDHLOZPEP-UHFFFAOYSA-N	1	2	285.351	1.947	40	10		CDCBLO
C[NH+]1CCN(Cc2ccc3cccnc3c2O)CC1	ZINC000019791719	374792086	/nfs/dbraw/zinc/79/20/86/374792086.db2.gz	SWOPEPLRMZXGPF-UHFFFAOYSA-N	1	2	257.337	1.688	40	10		CDCBLO
CC[NH+]1CCN(C2=NC(=O)/C(=C/c3ccco3)S2)CC1	ZINC000019842507	356509227	/nfs/dbraw/zinc/50/92/27/356509227.db2.gz	WOAXPUGVAYFEQP-BENRWUELSA-N	1	2	291.376	1.887	40	10		CDCBLO
CO[C@@]12ON[C@@H](c3ccccc3O)[C@@H]1[NH+]1CCC2CC1	ZINC000041999304	358902301	/nfs/dbraw/zinc/90/23/01/358902301.db2.gz	NQZFTYQRBZFXFE-KKUMJFAQSA-N	1	2	276.336	1.405	40	10		CDCBLO