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@H+](CC[C@@H]1CCC[NH+]1C)C1CCCC1	ZINC000161412595	349441494	/nfs/dbraw/zinc/44/14/94/349441494.db2.gz	GOJFYBIOQGTPCR-ZDUSSCGKSA-N	2	0	224.392	2.735	20	70		BFIDRP
C[C@H]1CC[C@H](C)[N@H+](CCC[NH+]2CCCCC2)C1	ZINC000161341254	384976900	/nfs/dbraw/zinc/97/69/00/384976900.db2.gz	ZAGNDACOKXKKFL-GJZGRUSLSA-N	2	0	238.419	2.983	20	70		BFIDRP
C[C@@H]1CC[C@H](C)C[N@H+]1CCC[NH+]1CCCCC1	ZINC000161341439	384979084	/nfs/dbraw/zinc/97/90/84/384979084.db2.gz	ZAGNDACOKXKKFL-LSDHHAIUSA-N	2	0	238.419	2.983	20	70		BFIDRP
C[C@@H]1CC[N@H+](CCC[NH+]2CCCCC2)[C@@H]1C	ZINC000161408938	385016925	/nfs/dbraw/zinc/01/69/25/385016925.db2.gz	MQDNHFIKGOHWCC-ZIAGYGMSSA-N	2	0	224.392	2.593	20	70		BFIDRP
C(C[N@@H+]1C[C@@H]2CCC[C@@H]2C1)C[NH+]1CCCCC1	ZINC000161408895	349439780	/nfs/dbraw/zinc/43/97/80/349439780.db2.gz	NFMHUQYKQVMGHM-GASCZTMLSA-N	2	0	236.403	2.594	20	70		BFIDRP
C(C[NH+]1C[C@@H]2CCC[C@H]2C1)C[NH+]1CCCCC1	ZINC000161409148	349439909	/nfs/dbraw/zinc/43/99/09/349439909.db2.gz	NFMHUQYKQVMGHM-GJZGRUSLSA-N	2	0	236.403	2.594	20	70		BFIDRP
CC[C@H](C)C[N@H+](C)CCC[NH+]1CCCCC1	ZINC000161048177	384939649	/nfs/dbraw/zinc/93/96/49/384939649.db2.gz	VZBTUYRXZSVGQI-AWEZNQCLSA-N	2	0	226.408	2.840	20	70		BFIDRP
CC(C)(C)CC[NH+]1CCN(c2cc[nH+]cc2)CC1	ZINC000161288393	538915354	/nfs/dbraw/zinc/91/53/54/538915354.db2.gz	HDOXLBUFRYMLFD-UHFFFAOYSA-N	2	0	247.386	2.640	20	70		BFIDRP
CC[C@H]1CC[N@H+](CCC[NH+]2CCCCC2)C1	ZINC000161510206	385175761	/nfs/dbraw/zinc/17/57/61/385175761.db2.gz	AMRJISGEAIJIRW-AWEZNQCLSA-N	2	0	224.392	2.594	20	70		BFIDRP
C(C[C@H]1CCC[NH2+]1)[NH2+]C1C2CC3CC(C2)CC1C3	ZINC000216854348	350020198	/nfs/dbraw/zinc/02/01/98/350020198.db2.gz	ZYAPJOAPQHLSKU-BAPHQMLMSA-N	2	0	248.414	2.543	20	70		BFIDRP
C[C@H](C[NH2+]CC(C)(C)C)N1CCC[C@@H](C)C1	ZINC000218107041	372062688	/nfs/dbraw/zinc/06/26/88/372062688.db2.gz	AISRTQPZFOJZPV-CHWSQXEVSA-N	2	0	226.408	2.743	20	70		BFIDRP
CCC[N@H+](CCC[NH+]1CCCCC1)C1CC1	ZINC000160910733	388100195	/nfs/dbraw/zinc/10/01/95/388100195.db2.gz	VHRIIKLQNUDYRN-UHFFFAOYSA-N	2	0	224.392	2.737	20	70		BFIDRP
Cc1cc(NC[C@@H](C)C[NH+]2CCCCC2)cc[nH+]1	ZINC000160918137	178164210	/nfs/dbraw/zinc/16/42/10/178164210.db2.gz	HNHBSIASNJUFHY-CYBMUJFWSA-N	2	0	247.386	2.924	20	70		BFIDRP
CC(C)CC[N@H+](C)CCC[NH+]1CCCCC1	ZINC000160636096	541356376	/nfs/dbraw/zinc/35/63/76/541356376.db2.gz	AGDWGCZCRAJZDE-UHFFFAOYSA-N	2	0	226.408	2.840	20	70		BFIDRP
C[N@@H+](CCc1ccccc1)CC[C@@H]1CCC[NH+]1C	ZINC000161420374	384488579	/nfs/dbraw/zinc/48/85/79/384488579.db2.gz	LCLNXBVITVTOHF-INIZCTEOSA-N	2	0	246.398	2.645	20	70		BFIDRP
C[C@@H]1CC[N@H+](CCC[NH+]2CCCCC2)[C@H](C)C1	ZINC000161214949	384926478	/nfs/dbraw/zinc/92/64/78/384926478.db2.gz	JUTDGKXEMDUFAO-HUUCEWRRSA-N	2	0	238.419	2.983	20	70		BFIDRP
C[N@H+](CC[C@@H]1CCC[NH+]1C)CC1CCCC1	ZINC000161503420	136277366	/nfs/dbraw/zinc/27/73/66/136277366.db2.gz	HYWLOVNEYDUYGI-AWEZNQCLSA-N	2	0	224.392	2.593	20	70		BFIDRP
CC1(C)CCC[N@H+](CCC[NH+]2CCCCC2)C1	ZINC000161091332	323146130	/nfs/dbraw/zinc/14/61/30/323146130.db2.gz	PVWQAIVSMFPKJY-UHFFFAOYSA-N	2	0	238.419	2.984	20	70		BFIDRP
Cc1nccn1CCCC[N@@H+](C)Cc1ccco1	ZINC000161293483	349417258	/nfs/dbraw/zinc/41/72/58/349417258.db2.gz	JQWWPSMOIUDFML-UHFFFAOYSA-N	2	0	247.342	2.697	20	70		BFIDRP
CC1(C)CC[N@H+](CCC[NH+]2CCCCC2)C1	ZINC000161317428	384481085	/nfs/dbraw/zinc/48/10/85/384481085.db2.gz	LRPLBFMTXIDPAE-UHFFFAOYSA-N	2	0	224.392	2.594	20	70		BFIDRP
CC[C@@H]1CC[N@H+](CCC[NH+]2CCCCC2)C1	ZINC000161510103	384498022	/nfs/dbraw/zinc/49/80/22/384498022.db2.gz	AMRJISGEAIJIRW-CQSZACIVSA-N	2	0	224.392	2.594	20	70		BFIDRP
C[C@@H]1CC[C@@H](C)[N@H+](CCC[NH+]2CCCCC2)C1	ZINC000161341327	384979142	/nfs/dbraw/zinc/97/91/42/384979142.db2.gz	ZAGNDACOKXKKFL-HUUCEWRRSA-N	2	0	238.419	2.983	20	70		BFIDRP
CC[N@H+](CCC[NH+]1CCCCC1)CC(C)C	ZINC000160549975	384420421	/nfs/dbraw/zinc/42/04/21/384420421.db2.gz	BITPDDVAQHPLHH-UHFFFAOYSA-N	2	0	226.408	2.840	20	70		BFIDRP
CC[N@H+](CCC[NH+]1CCCCC1)C(C)C	ZINC000160649351	384425354	/nfs/dbraw/zinc/42/53/54/384425354.db2.gz	BXNWIBLMADSQFL-UHFFFAOYSA-N	2	0	212.381	2.593	20	70		BFIDRP
C[C@@H](c1ccco1)N(C)CC[C@@H]1CCC[N@@H+]1C	ZINC000161499959	176030995	/nfs/dbraw/zinc/03/09/95/176030995.db2.gz	OWUAJGCPYMCBEO-STQMWFEESA-N	2	0	236.359	2.757	20	70		BFIDRP
C[NH+](C)[C@@H]1CCC[C@H]([NH2+]C(C2CC2)C2CC2)C1	ZINC000161030494	323143269	/nfs/dbraw/zinc/14/32/69/323143269.db2.gz	BWVHUSWNDBCUMZ-UONOGXRCSA-N	2	0	236.403	2.637	20	70		BFIDRP
C[C@H](C[NH2+]CC(C)(C)C)N1CCCC[C@@H]1C	ZINC000218106157	372062622	/nfs/dbraw/zinc/06/26/22/372062622.db2.gz	NCDNAAOGMBHSMF-QWHCGFSZSA-N	2	0	226.408	2.885	20	70		BFIDRP
C[N@H+](CCC[NH+]1CCCCC1)CC(C)(C)C	ZINC000160847024	388093646	/nfs/dbraw/zinc/09/36/46/388093646.db2.gz	DXHXEESKHFHKDC-UHFFFAOYSA-N	2	0	226.408	2.840	20	70		BFIDRP
C[C@@H]([N@H+](C)CCC[NH+]1CCCCC1)C1(C)CC1	ZINC000161407485	349439681	/nfs/dbraw/zinc/43/96/81/349439681.db2.gz	OVMCQIXWTSWQKN-CQSZACIVSA-N	2	0	238.419	2.983	20	70		BFIDRP
C[N@H+](CC[C@H]1CCC[NH+]1C)CC1CCCC1	ZINC000161503303	136277307	/nfs/dbraw/zinc/27/73/07/136277307.db2.gz	HYWLOVNEYDUYGI-CQSZACIVSA-N	2	0	224.392	2.593	20	70		BFIDRP
CC[C@@H](C)C[N@H+](C)CCC[NH+]1CCCCC1	ZINC000161048072	384457175	/nfs/dbraw/zinc/45/71/75/384457175.db2.gz	VZBTUYRXZSVGQI-CQSZACIVSA-N	2	0	226.408	2.840	20	70		BFIDRP
C[N@@H+](CCc1ccccc1)CC[C@H]1CCC[NH+]1C	ZINC000161420252	384487640	/nfs/dbraw/zinc/48/76/40/384487640.db2.gz	LCLNXBVITVTOHF-MRXNPFEDSA-N	2	0	246.398	2.645	20	70		BFIDRP
C[N@@H+]1CCC[C@@H]1CC[NH+](C1CC1)C1CCCC1	ZINC000161377911	387197378	/nfs/dbraw/zinc/19/73/78/387197378.db2.gz	GCSIUJRBQWEPLP-CYBMUJFWSA-N	2	0	236.403	2.878	20	70		BFIDRP
CC(C)[C@H]([NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1)C1CC1	ZINC000161125529	323148019	/nfs/dbraw/zinc/14/80/19/323148019.db2.gz	LMQVSIBZKREOBS-ILXRZTDVSA-N	2	0	238.419	2.883	20	70		BFIDRP
C[C@H]([N@H+](C)CCC[NH+]1CCCCC1)C1(C)CC1	ZINC000161407356	349439973	/nfs/dbraw/zinc/43/99/73/349439973.db2.gz	OVMCQIXWTSWQKN-AWEZNQCLSA-N	2	0	238.419	2.983	20	70		BFIDRP
C[N@@H+]1CCC[C@H]1CC[NH+](C1CC1)C1CCCC1	ZINC000161378047	387197346	/nfs/dbraw/zinc/19/73/46/387197346.db2.gz	GCSIUJRBQWEPLP-ZDUSSCGKSA-N	2	0	236.403	2.878	20	70		BFIDRP
C[C@@H]1CCC[N@H+](CCC[NH+]2CCCCC2)CC1	ZINC000160718893	388085980	/nfs/dbraw/zinc/08/59/80/388085980.db2.gz	IHOHTAPZLFVLBO-OAHLLOKOSA-N	2	0	238.419	2.984	20	70		BFIDRP
C[C@H]1CCC[N@H+](CCC[NH+]2CCCCC2)CC1	ZINC000160719008	388086063	/nfs/dbraw/zinc/08/60/63/388086063.db2.gz	IHOHTAPZLFVLBO-HNNXBMFYSA-N	2	0	238.419	2.984	20	70		BFIDRP
CC[N@H+](CC[C@H]1CCC[NH+]1C)C1CCCC1	ZINC000161412775	349441289	/nfs/dbraw/zinc/44/12/89/349441289.db2.gz	GOJFYBIOQGTPCR-CYBMUJFWSA-N	2	0	224.392	2.735	20	70		BFIDRP
Cc1cc(NC[C@H](C)C[NH+]2CCCCC2)cc[nH+]1	ZINC000160918269	178169249	/nfs/dbraw/zinc/16/92/49/178169249.db2.gz	HNHBSIASNJUFHY-ZDUSSCGKSA-N	2	0	247.386	2.924	20	70		BFIDRP
CC(C)[C@H]([NH2+][C@H]1CCC[C@H]([NH+](C)C)C1)C1CC1	ZINC000161125716	323148082	/nfs/dbraw/zinc/14/80/82/323148082.db2.gz	LMQVSIBZKREOBS-KKUMJFAQSA-N	2	0	238.419	2.883	20	70		BFIDRP
C[NH+](C)[C@H]1CCC[C@H]([NH2+]C(C2CC2)C2CC2)C1	ZINC000161030566	323143228	/nfs/dbraw/zinc/14/32/28/323143228.db2.gz	BWVHUSWNDBCUMZ-KBPBESRZSA-N	2	0	236.403	2.637	20	70		BFIDRP
Cc1cc(NCC[NH+]2CCCCCC2)cc[nH+]1	ZINC000160917445	178162044	/nfs/dbraw/zinc/16/20/44/178162044.db2.gz	HHSCZLAFNBMDSF-UHFFFAOYSA-N	2	0	233.359	2.678	20	70		BFIDRP
C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]C(C2CC2)C2CC2)C1	ZINC000161030685	346472543	/nfs/dbraw/zinc/47/25/43/346472543.db2.gz	BWVHUSWNDBCUMZ-ZIAGYGMSSA-N	2	0	236.403	2.637	20	70		BFIDRP
C[NH+](C)[C@H]1CCC[C@@H]([NH2+]C(C2CC2)C2CC2)C1	ZINC000161030816	323143230	/nfs/dbraw/zinc/14/32/30/323143230.db2.gz	BWVHUSWNDBCUMZ-KGLIPLIRSA-N	2	0	236.403	2.637	20	70		BFIDRP
C[N@H+](CCC[NH+]1CCCC1)CC1CCCC1	ZINC000161503799	384496713	/nfs/dbraw/zinc/49/67/13/384496713.db2.gz	NKLVMEFTYZJZCT-UHFFFAOYSA-N	2	0	224.392	2.594	20	70		BFIDRP
CC1(C)CCC[N@@H+]1CCC[NH+]1CCCCC1	ZINC000160889193	388097909	/nfs/dbraw/zinc/09/79/09/388097909.db2.gz	XWZKGWQPGZBRKL-UHFFFAOYSA-N	2	0	224.392	2.737	20	70		BFIDRP
C(C[NH+]1C[C@H]2CCC[C@@H]2C1)C[NH+]1CCCCC1	ZINC000161409006	349440066	/nfs/dbraw/zinc/44/00/66/349440066.db2.gz	NFMHUQYKQVMGHM-HUUCEWRRSA-N	2	0	236.403	2.594	20	70		BFIDRP
CN(Cc1cccs1)C[C@@H]1CCC[N@H+](C)C1	ZINC000161283858	384480988	/nfs/dbraw/zinc/48/09/88/384480988.db2.gz	KAOCFLOTMQJJNB-GFCCVEGCSA-N	2	0	238.400	2.522	20	70		BFIDRP
C[C@@H]1[C@@H](C)CC[N@@H+]1CCC[NH+]1CCCCC1	ZINC000161409045	385017936	/nfs/dbraw/zinc/01/79/36/385017936.db2.gz	MQDNHFIKGOHWCC-UONOGXRCSA-N	2	0	224.392	2.593	20	70		BFIDRP
C[N@H+](CCC[NH+]1CCCCC1)CC1CCC1	ZINC000161063144	385062018	/nfs/dbraw/zinc/06/20/18/385062018.db2.gz	UUVUEXINLYROPL-UHFFFAOYSA-N	2	0	224.392	2.594	20	70		BFIDRP