smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCC[NH+](CCCC)C1(C[NH3+])CCC(C(C)(C)C)CC1	ZINC000020362696	171161362	/nfs/dbraw/zinc/16/13/62/171161362.db2.gz	PVOMNYVQEKPIAJ-UHFFFAOYSA-N	2	2	296.543	4.822	10	0		CJAELP
CCC(C)(C)C1CCC(C[NH3+])([NH+]2CCCCCCC2)CC1	ZINC000020547026	171244636	/nfs/dbraw/zinc/24/46/36/171244636.db2.gz	YMEPTAOLHHVQAT-UHFFFAOYSA-N	2	2	294.527	4.576	10	0		CJAELP
CCCC[N@@H+](CC)[C@@H]1CCCCCCCCCC[C@@H]1[NH3+]	ZINC000020554240	171249469	/nfs/dbraw/zinc/24/94/69/171249469.db2.gz	HIWBKLDBHSUEPS-ZWKOTPCHSA-N	2	2	282.516	4.719	10	0		CJAELP
CCCC[N@H+](CC)[C@@H]1CCCCCCCCCC[C@@H]1[NH3+]	ZINC000020554240	171249468	/nfs/dbraw/zinc/24/94/68/171249468.db2.gz	HIWBKLDBHSUEPS-ZWKOTPCHSA-N	2	2	282.516	4.719	10	0		CJAELP
CCCC[N@@H+](CC)[C@H]1CCCCCCCCCC[C@@H]1[NH3+]	ZINC000020554242	171249184	/nfs/dbraw/zinc/24/91/84/171249184.db2.gz	HIWBKLDBHSUEPS-ROUUACIJSA-N	2	2	282.516	4.719	10	0		CJAELP
CCCC[N@H+](CC)[C@H]1CCCCCCCCCC[C@@H]1[NH3+]	ZINC000020554242	171249183	/nfs/dbraw/zinc/24/91/83/171249183.db2.gz	HIWBKLDBHSUEPS-ROUUACIJSA-N	2	2	282.516	4.719	10	0		CJAELP
C[C@@H]1CCC[N@H+](C2(C[NH3+])CCCCCCCCCCC2)C1	ZINC000021506460	171308009	/nfs/dbraw/zinc/30/80/09/171308009.db2.gz	WNPLKEAFOLZSSK-GOSISDBHSA-N	2	2	294.527	4.721	10	0		CJAELP
C[C@@H]1CCC[N@@H+](C2(C[NH3+])CCCCCCCCCCC2)C1	ZINC000021506460	171308008	/nfs/dbraw/zinc/30/80/08/171308008.db2.gz	WNPLKEAFOLZSSK-GOSISDBHSA-N	2	2	294.527	4.721	10	0		CJAELP
C[C@H]1CCC[N@H+](C2(C[NH3+])CCCCCCCCCCC2)C1	ZINC000021506462	171308044	/nfs/dbraw/zinc/30/80/44/171308044.db2.gz	WNPLKEAFOLZSSK-SFHVURJKSA-N	2	2	294.527	4.721	10	0		CJAELP
C[C@H]1CCC[N@@H+](C2(C[NH3+])CCCCCCCCCCC2)C1	ZINC000021506462	171308043	/nfs/dbraw/zinc/30/80/43/171308043.db2.gz	WNPLKEAFOLZSSK-SFHVURJKSA-N	2	2	294.527	4.721	10	0		CJAELP
CC1CC[NH+](C2(C[NH3+])CCCCCCCCCCC2)CC1	ZINC000021510654	171310112	/nfs/dbraw/zinc/31/01/12/171310112.db2.gz	IZAUBCSDIQUNEX-UHFFFAOYSA-N	2	2	294.527	4.721	10	0		CJAELP
CCC[NH+](CCC)[C@@H]1CCCCCCCCCC[C@@H]1[NH3+]	ZINC000021511402	171310504	/nfs/dbraw/zinc/31/05/04/171310504.db2.gz	IOZZJVWBUVZUSG-ZWKOTPCHSA-N	2	2	282.516	4.719	10	0		CJAELP
CCC[NH+](CCC)[C@H]1CCCCCCCCCC[C@@H]1[NH3+]	ZINC000021511404	171310688	/nfs/dbraw/zinc/31/06/88/171310688.db2.gz	IOZZJVWBUVZUSG-ROUUACIJSA-N	2	2	282.516	4.719	10	0		CJAELP
CCC[NH+](CCC)[C@@H]1CCCCCCCCCC[C@H]1[NH3+]	ZINC000021511406	171310427	/nfs/dbraw/zinc/31/04/27/171310427.db2.gz	IOZZJVWBUVZUSG-QZTJIDSGSA-N	2	2	282.516	4.719	10	0		CJAELP
CCC[NH+](CCC)[C@H]1CCCCCCCCCC[C@H]1[NH3+]	ZINC000021511408	171310459	/nfs/dbraw/zinc/31/04/59/171310459.db2.gz	IOZZJVWBUVZUSG-MSOLQXFVSA-N	2	2	282.516	4.719	10	0		CJAELP
C[C@@H]1CCCC[N@H+]1C1(C[NH3+])CCCCCCCCCCC1	ZINC000021815792	171332007	/nfs/dbraw/zinc/33/20/07/171332007.db2.gz	BKTCTJLBNRBMMP-GOSISDBHSA-N	2	2	294.527	4.863	10	0		CJAELP
C[C@@H]1CCCC[N@@H+]1C1(C[NH3+])CCCCCCCCCCC1	ZINC000021815792	171332006	/nfs/dbraw/zinc/33/20/06/171332006.db2.gz	BKTCTJLBNRBMMP-GOSISDBHSA-N	2	2	294.527	4.863	10	0		CJAELP
C[C@H]1CCCC[N@H+]1C1(C[NH3+])CCCCCCCCCCC1	ZINC000021815794	171332079	/nfs/dbraw/zinc/33/20/79/171332079.db2.gz	BKTCTJLBNRBMMP-SFHVURJKSA-N	2	2	294.527	4.863	10	0		CJAELP
C[C@H]1CCCC[N@@H+]1C1(C[NH3+])CCCCCCCCCCC1	ZINC000021815794	171332077	/nfs/dbraw/zinc/33/20/77/171332077.db2.gz	BKTCTJLBNRBMMP-SFHVURJKSA-N	2	2	294.527	4.863	10	0		CJAELP
C[NH+](C)C(C)(C)C[NH2+]C1CCCCCCCCCCC1	ZINC000021818471	171333695	/nfs/dbraw/zinc/33/36/95/171333695.db2.gz	AXLKKZLMRZXQSD-UHFFFAOYSA-N	2	2	282.516	4.590	10	0		CJAELP
CCC(C)(C)C1CCC(C[NH3+])([N@@H+](C)C2CCCCC2)CC1	ZINC000035176647	172029032	/nfs/dbraw/zinc/02/90/32/172029032.db2.gz	WBRUWKSOBZCSAR-UHFFFAOYSA-N	2	2	294.527	4.575	10	0		CJAELP
CCC(C)(C)C1CCC(C[NH3+])([N@H+](C)C2CCCCC2)CC1	ZINC000035176647	172029031	/nfs/dbraw/zinc/02/90/31/172029031.db2.gz	WBRUWKSOBZCSAR-UHFFFAOYSA-N	2	2	294.527	4.575	10	0		CJAELP
CC[N@@H+](C1CCCCC1)C1(C[NH3+])CCC(C(C)(C)C)CC1	ZINC000035176743	172030059	/nfs/dbraw/zinc/03/00/59/172030059.db2.gz	AABGMVBGKPEXGE-UHFFFAOYSA-N	2	2	294.527	4.575	10	0		CJAELP
CC[N@H+](C1CCCCC1)C1(C[NH3+])CCC(C(C)(C)C)CC1	ZINC000035176743	172030057	/nfs/dbraw/zinc/03/00/57/172030057.db2.gz	AABGMVBGKPEXGE-UHFFFAOYSA-N	2	2	294.527	4.575	10	0		CJAELP
CC[N@@H+](C1CCCCC1)[C@@H]1C[C@@H](C(C)(C)CC)CC[C@@H]1[NH3+]	ZINC000035219744	172060508	/nfs/dbraw/zinc/06/05/08/172060508.db2.gz	GTSKUFRXZPSSHH-RYQLBKOJSA-N	2	2	294.527	4.573	10	0		CJAELP
CC[N@H+](C1CCCCC1)[C@@H]1C[C@@H](C(C)(C)CC)CC[C@@H]1[NH3+]	ZINC000035219744	172060507	/nfs/dbraw/zinc/06/05/07/172060507.db2.gz	GTSKUFRXZPSSHH-RYQLBKOJSA-N	2	2	294.527	4.573	10	0		CJAELP
C[N@@H+](C1CCCCC1)[C@@H]1CCCCCCCCCC[C@@H]1[NH3+]	ZINC000035219771	172061236	/nfs/dbraw/zinc/06/12/36/172061236.db2.gz	MKQTYBWQUTXKIW-RBUKOAKNSA-N	2	2	294.527	4.861	10	0		CJAELP
C[N@H+](C1CCCCC1)[C@@H]1CCCCCCCCCC[C@@H]1[NH3+]	ZINC000035219771	172061234	/nfs/dbraw/zinc/06/12/34/172061234.db2.gz	MKQTYBWQUTXKIW-RBUKOAKNSA-N	2	2	294.527	4.861	10	0		CJAELP
C[N@@H+](C1CCCCC1)[C@H]1CCCCCCCCCC[C@@H]1[NH3+]	ZINC000035219772	172061310	/nfs/dbraw/zinc/06/13/10/172061310.db2.gz	MKQTYBWQUTXKIW-OALUTQOASA-N	2	2	294.527	4.861	10	0		CJAELP
C[N@H+](C1CCCCC1)[C@H]1CCCCCCCCCC[C@@H]1[NH3+]	ZINC000035219772	172061307	/nfs/dbraw/zinc/06/13/07/172061307.db2.gz	MKQTYBWQUTXKIW-OALUTQOASA-N	2	2	294.527	4.861	10	0		CJAELP