smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@H]1C[C@H]1C[NH2+]C[C@H]1CCC[C@@H](C)C1	161238457	538060673	/nfs/dbraw/zinc/06/06/73/538060673.db2.gz	YXBYRCVMBUZXIF-VOAKCMCISA-N	1	0	195.350	3.058	20	70		AGIDRO
CCC[NH2+]Cc1ccc(C)cc1Cl	161075061	486978697	/nfs/dbraw/zinc/97/86/97/486978697.db2.gz	OLMQGKYIVJDWRG-UHFFFAOYSA-N	1	0	197.709	3.148	20	70		AGIDRO
C[N@H+](CC1CCCCC1)C(C)(C)C	217765128	487028112	/nfs/dbraw/zinc/02/81/12/487028112.db2.gz	LNHCNAPYSVWLQD-UHFFFAOYSA-N	1	0	183.339	3.297	20	70		AGIDRO
CC(C)C(C[N@H+](C)C1CC1)C(C)C	217717791	490068397	/nfs/dbraw/zinc/06/83/97/490068397.db2.gz	JFIPTJFEEOKYOI-UHFFFAOYSA-N	1	0	183.339	3.009	20	70		AGIDRO
CC(C)C(C[NH+]1CCCC1)C(C)C	217723741	490068411	/nfs/dbraw/zinc/06/84/11/490068411.db2.gz	MWMRLBYEEFYXAQ-UHFFFAOYSA-N	1	0	183.339	3.010	20	70		AGIDRO
CCCC[N@H+]1[C@@H](CC)CC[C@H]1C	218153886	490069014	/nfs/dbraw/zinc/06/90/14/490069014.db2.gz	DEOBTFGSPWHHGT-MNOVXSKESA-N	1	0	169.312	3.049	20	70		AGIDRO
CC(C)C[NH2+][C@@H]1CCC[C@H](C(C)C)C1	218097709	490069074	/nfs/dbraw/zinc/06/90/74/490069074.db2.gz	FCXBNQINLUTFIW-QWHCGFSZSA-N	1	0	197.366	3.447	20	70		AGIDRO
CC(C)C[NH2+][C@H]1CCC[C@@H](C(C)C)C1	218097635	490069094	/nfs/dbraw/zinc/06/90/94/490069094.db2.gz	FCXBNQINLUTFIW-OLZOCXBDSA-N	1	0	197.366	3.447	20	70		AGIDRO
CC(C)C[NH2+][C@@H]1CCC[C@@H](C(C)C)C1	218097542	490069192	/nfs/dbraw/zinc/06/91/92/490069192.db2.gz	FCXBNQINLUTFIW-CHWSQXEVSA-N	1	0	197.366	3.447	20	70		AGIDRO
CCC[C@H](C)[NH2+][C@H](C)[C@H](C)CC	218123295	490069259	/nfs/dbraw/zinc/06/92/59/490069259.db2.gz	GCWUKRYKKNAHJT-OUAUKWLOSA-N	1	0	171.328	3.199	20	70		AGIDRO
CC(C)C[NH2+][C@H]1CCC[C@H](C(C)C)C1	218097780	490069363	/nfs/dbraw/zinc/06/93/63/490069363.db2.gz	FCXBNQINLUTFIW-STQMWFEESA-N	1	0	197.366	3.447	20	70		AGIDRO
CCC[C@H](C)[NH2+][C@@H](C)[C@H](C)CC	218123209	490069368	/nfs/dbraw/zinc/06/93/68/490069368.db2.gz	GCWUKRYKKNAHJT-VWYCJHECSA-N	1	0	171.328	3.199	20	70		AGIDRO
CCCC[N@@H+]1[C@@H](C)CC[C@@H]1CC	218153929	490069458	/nfs/dbraw/zinc/06/94/58/490069458.db2.gz	DEOBTFGSPWHHGT-QWRGUYRKSA-N	1	0	169.312	3.049	20	70		AGIDRO
CCCC[N@H+](C)CCCC(C)C	218666602	490069888	/nfs/dbraw/zinc/06/98/88/490069888.db2.gz	BDANZTGAXKFUEX-UHFFFAOYSA-N	1	0	171.328	3.155	20	70		AGIDRO
CCCC[C@H](CC)C[NH+]1CCCC1	218654310	490069979	/nfs/dbraw/zinc/06/99/79/490069979.db2.gz	QEDFKXUPXSBUTJ-LBPRGKRZSA-N	1	0	183.339	3.299	20	70		AGIDRO
CC[C@H](C)[C@H](C)[NH2+]C[C@@H]1CC=CCC1	218766106	344416305	/nfs/dbraw/zinc/41/63/05/344416305.db2.gz	OCBYXWUCQKGRAR-RWMBFGLXSA-N	1	0	195.350	3.367	20	70		AGIDRO
CC[C@H](C)[C@@H](C)[NH2+]C[C@@H]1CC=CCC1	218766028	344416168	/nfs/dbraw/zinc/41/61/68/344416168.db2.gz	OCBYXWUCQKGRAR-YNEHKIRRSA-N	1	0	195.350	3.367	20	70		AGIDRO
C[C@H]1CCCC[C@H]1C[NH2+][C@H](C)C1CC1	218412024	409514286	/nfs/dbraw/zinc/51/42/86/409514286.db2.gz	YRBUBKSYWLJRHC-LOWVWBTDSA-N	1	0	195.350	3.201	20	70		AGIDRO
C[C@H]1CCCC[C@@H]1C[NH2+][C@H](C)C1CC1	218412097	409514809	/nfs/dbraw/zinc/51/48/09/409514809.db2.gz	YRBUBKSYWLJRHC-DMDPSCGWSA-N	1	0	195.350	3.201	20	70		AGIDRO