smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCc1[nH+]c(N)nc(N)c1-c1ccc(Cl)c(/N=C\N(C)C)c1	ZINC000104241168	425961720	/nfs/dbraw/zinc/96/17/20/425961720.db2.gz	JHYUQAGPICBQOR-UWVJOHFNSA-N	2	0	318.812	2.745	40	30		DFEBRP
COc1ccc(/C=[NH+]/CC[C@@]2(O)C[C@H](C)[N@H+](C)C[C@@H]2C)cc1	ZINC000006576982	181355956	/nfs/dbraw/zinc/35/59/56/181355956.db2.gz	WOAIYBQMKKZABM-RQPJFFLJSA-N	2	0	304.434	2.595	40	30		DFEBRP
COc1ccc(/C=[NH+]/CC[C@@]2(O)C[C@@H](C)[N@H+](C)C[C@@H]2C)cc1	ZINC000006576980	181356287	/nfs/dbraw/zinc/35/62/87/181356287.db2.gz	WOAIYBQMKKZABM-BCWAKYKLSA-N	2	0	304.434	2.595	40	30		DFEBRP
C[NH+](C)[C@@H]1CCOC2(CC[NH+](Cc3ccc(C#N)cc3)CC2)C1	ZINC000108526197	426017757	/nfs/dbraw/zinc/01/77/57/426017757.db2.gz	WSMBACUGVNHYGW-GOSISDBHSA-N	2	0	313.445	2.633	40	30		DFEBRP
COc1ccc(/C=[NH+]/CC[C@@]2(O)C[C@H](C)[N@H+](C)C[C@H]2C)cc1	ZINC000035898240	523438339	/nfs/dbraw/zinc/43/83/39/523438339.db2.gz	WOAIYBQMKKZABM-LAISTDEBSA-N	2	0	304.434	2.595	40	30		DFEBRP
C=CCNC(=[NH2+])SCCCCCSC(=[NH2+])NCC=C	ZINC000017299330	182081633	/nfs/dbraw/zinc/08/16/33/182081633.db2.gz	HXLZIBCCCIQPMS-UHFFFAOYSA-N	2	0	300.497	2.625	40	30		DFEBRP
COc1ccc(/C=[NH+]/CC[C@@]2(O)C[C@@H](C)[N@H+](C)C[C@H]2C)cc1	ZINC000035898239	523437130	/nfs/dbraw/zinc/43/71/30/523437130.db2.gz	WOAIYBQMKKZABM-HUMAGWNWSA-N	2	0	304.434	2.595	40	30		DFEBRP
C[N+](C)(CCC#N)Cc1ccc(C[N+](C)(C)CCC#N)cc1	ZINC000001720085	425587246	/nfs/dbraw/zinc/58/72/46/425587246.db2.gz	SRNGNKTYCHJFRN-UHFFFAOYSA-N	2	0	300.450	2.667	40	30		DFEBRP
C[NH+](C)[C@H]1CCOC2(CC[NH+](Cc3ccc(C#N)cc3)CC2)C1	ZINC000108526200	185518693	/nfs/dbraw/zinc/51/86/93/185518693.db2.gz	WSMBACUGVNHYGW-SFHVURJKSA-N	2	0	313.445	2.633	40	30		DFEBRP
CNC(NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccc(Cl)c1)=[NH+]C	ZINC000195530764	399184485	/nfs/dbraw/zinc/18/44/85/399184485.db2.gz	ZJQXEZPWVXGFFM-DZGCQCFKSA-N	2	0	308.857	2.518	40	30		DFEBRP
CN(C)C(=[NH2+])NC(=[NH2+])Nc1cc2ccccc2c2ccccc12	ZINC000006426044	425628128	/nfs/dbraw/zinc/62/81/28/425628128.db2.gz	MSUGPBMWXGOSMM-UHFFFAOYSA-N	2	0	305.385	2.816	40	30		DFEBRP