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]1CCCN(c2ccc(N)cc2)C1	819577	132178943	/nfs/dbraw/zinc/17/89/43/132178943.db2.gz	IKOVMWFMUDURMX-JTQLQIEISA-N	1	0	190.290	2.505	50	10		AFCARO
C[C@@H]1CCCN(c2ccc(N)cc2)C1	819578	132179388	/nfs/dbraw/zinc/17/93/88/132179388.db2.gz	IKOVMWFMUDURMX-SNVBAGLBSA-N	1	0	190.290	2.505	50	10		AFCARO
CCC[C@@H](C)[NH2+]Cc1ccccc1O	19902661	167035886	/nfs/dbraw/zinc/03/58/86/167035886.db2.gz	ZUVBQMQQUIVLGE-SNVBAGLBSA-N	1	0	193.290	2.670	50	10		AFCARO
CCC[C@H](C)[NH2+]Cc1ccccc1O	19902662	167070638	/nfs/dbraw/zinc/07/06/38/167070638.db2.gz	ZUVBQMQQUIVLGE-JTQLQIEISA-N	1	0	193.290	2.670	50	10		AFCARO
CC[N@@H+](c1ccc(N)cc1)C(C)C	57546	167195211	/nfs/dbraw/zinc/19/52/11/167195211.db2.gz	HKGOSYWNUBEMMH-UHFFFAOYSA-N	1	0	178.279	2.504	50	10	in-vitro	AFCARO
C[C@@H]([NH3+])c1c(O)ccc2ccccc12	6494345	168368930	/nfs/dbraw/zinc/36/89/30/168368930.db2.gz	XMXYXFVQPLWZEX-MRVPVSSYSA-N	1	0	187.242	2.565	50	10		AFCARO
Nc1c2ccccc2[nH+]c2ccccc12	19014768	169283644	/nfs/dbraw/zinc/28/36/44/169283644.db2.gz	XJGFWWJLMVZSIG-UHFFFAOYSA-N	1	0	194.237	2.970	50	10	in-man	AFCARO
Nc1ccc([NH+]2CCCCCC2)cc1	352045	169292600	/nfs/dbraw/zinc/29/26/00/169292600.db2.gz	RDUONPQXZRHVKQ-UHFFFAOYSA-N	1	0	190.290	2.649	50	10		AFCARO
C[C@H]([NH3+])c1c(O)ccc2ccccc12	1679611	342957644	/nfs/dbraw/zinc/95/76/44/342957644.db2.gz	XMXYXFVQPLWZEX-QMMMGPOBSA-N	1	0	187.242	2.565	50	10		AFCARO
CCC[NH+](CCC)c1ccc(N)cc1	21959573	343076609	/nfs/dbraw/zinc/07/66/09/343076609.db2.gz	UOWYGPTYSRURDP-UHFFFAOYSA-N	1	0	192.306	2.895	50	10	in-vitro	AFCARO
CCC[NH2+]Cc1c(O)cccc1Cl	83551140	343621507	/nfs/dbraw/zinc/62/15/07/343621507.db2.gz	CTJGIQRLETWLIT-UHFFFAOYSA-N	1	0	199.681	2.545	50	10		AFCARO
CC(C)[NH2+]Cc1c(O)cccc1Cl	83551253	343621609	/nfs/dbraw/zinc/62/16/09/343621609.db2.gz	QWSVRTRYPWQOIC-UHFFFAOYSA-N	1	0	199.681	2.544	50	10		AFCARO
N#[N+]C(c1ccccc1)c1ccccc1	4531954	351329869	/nfs/dbraw/zinc/32/98/69/351329869.db2.gz	ITLHXEGAYQFOHJ-UHFFFAOYSA-N	1	0	194.237	2.754	50	10		AFCARO