smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC[N+](C)(CC)CCN(C(C)=O)N(C)c1ccccc1	ZINC000005469263	717099317	/nfs/dbraw/zinc/09/93/17/717099317.db2.gz	PHCJALBXWYEAKU-UHFFFAOYSA-N	1	0	278.420	2.373	40	50		CEGBRO
C[N+](C)(C)CC(=O)N/N=C/c1ccc(Cl)cc1Cl	ZINC000001847125	717090037	/nfs/dbraw/zinc/09/00/37/717090037.db2.gz	KSSJBIRHPFDLCD-VIZOYTHASA-O	1	0	289.186	2.150	40	50		CEGBRO
C[N+](C)(C)CC(=O)N/N=C\c1ccc(Cl)cc1Cl	ZINC000031937755	717120456	/nfs/dbraw/zinc/12/04/56/717120456.db2.gz	KSSJBIRHPFDLCD-CHHVJCJISA-O	1	0	289.186	2.150	40	50		CEGBRO
CC[N+](C)(C)c1ccc(/C=C(/C#N)C(=O)OC)cc1	ZINC000001559011	717088562	/nfs/dbraw/zinc/08/85/62/717088562.db2.gz	KTJVLJADKKWMOK-RAXLEYEMSA-N	1	0	259.329	2.353	40	50		CEGBRO
C[N+](C)(C)CCOC(=O)c1ccc(CCl)cc1	ZINC000001720509	717089217	/nfs/dbraw/zinc/08/92/17/717089217.db2.gz	BCRARGFLQWUQFY-UHFFFAOYSA-N	1	0	256.753	2.288	40	50		CEGBRO
C[C@@H](Br)[C@H](Br)C[N+](C)(C)C	ZINC000000313503	717087742	/nfs/dbraw/zinc/08/77/42/717087742.db2.gz	MKNMPEQOVKGLMP-RNFRBKRXSA-N	1	0	274.020	2.240	40	50		CEGBRO
C[N+](C)(C)CC(=O)N/N=C/c1ccc(Cl)c(Cl)c1	ZINC000001847147	717089750	/nfs/dbraw/zinc/08/97/50/717089750.db2.gz	BZXRNTVNPSZQTQ-VIZOYTHASA-O	1	0	289.186	2.150	40	50		CEGBRO
C[C@@H](Br)[C@@H](Br)C[N+](C)(C)C	ZINC000000313509	717087734	/nfs/dbraw/zinc/08/77/34/717087734.db2.gz	MKNMPEQOVKGLMP-RQJHMYQMSA-N	1	0	274.020	2.240	40	50		CEGBRO
C[N+](C)(C)CCOC(=O)c1ccccc1CCl	ZINC000001720513	717089109	/nfs/dbraw/zinc/08/91/09/717089109.db2.gz	MQPBUNIBNAXWSA-UHFFFAOYSA-N	1	0	256.753	2.288	40	50		CEGBRO
C[C@H](Br)[C@@H](Br)C[N+](C)(C)C	ZINC000000313507	717087381	/nfs/dbraw/zinc/08/73/81/717087381.db2.gz	MKNMPEQOVKGLMP-BQBZGAKWSA-N	1	0	274.020	2.240	40	50		CEGBRO
C[N+](C)(CCCl)CCOC(=O)c1ccccc1	ZINC000001690227	717089530	/nfs/dbraw/zinc/08/95/30/717089530.db2.gz	MQOHZBMLYFOGNZ-UHFFFAOYSA-N	1	0	256.753	2.159	40	50		CEGBRO
C[N+](C)(C)CC(=O)N/N=C\c1ccc(Cl)c(Cl)c1	ZINC000031937758	717120284	/nfs/dbraw/zinc/12/02/84/717120284.db2.gz	BZXRNTVNPSZQTQ-CHHVJCJISA-O	1	0	289.186	2.150	40	50		CEGBRO
CC[N+](C)(C)c1ccc(/C=C(\C#N)C(=O)OC)cc1	ZINC000017061898	717112372	/nfs/dbraw/zinc/11/23/72/717112372.db2.gz	KTJVLJADKKWMOK-JLHYYAGUSA-N	1	0	259.329	2.353	40	50		CEGBRO
C[C@H](Br)[C@H](Br)C[N+](C)(C)C	ZINC000000313502	717087881	/nfs/dbraw/zinc/08/78/81/717087881.db2.gz	MKNMPEQOVKGLMP-NKWVEPMBSA-N	1	0	274.020	2.240	40	50		CEGBRO
C[N+](C)(C)CCOC(=O)c1cccc(CCl)c1	ZINC000001720512	717089392	/nfs/dbraw/zinc/08/93/92/717089392.db2.gz	SUXMYHNCCPCRRK-UHFFFAOYSA-N	1	0	256.753	2.288	40	50		CEGBRO
CCN(c1ccccc1)N(CCC[N+](C)(C)C)C(C)=O	ZINC000005471655	717099199	/nfs/dbraw/zinc/09/91/99/717099199.db2.gz	JCYUQMKHUJNYNC-UHFFFAOYSA-N	1	0	278.420	2.373	40	50		CEGBRO