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]([NH2+]CCCN1CCCC1)c1cc(O)ccc1O	ZINC000020129059	171016098	/nfs/dbraw/zinc/01/60/98/171016098.db2.gz	VHBSQADZSRIANA-GFCCVEGCSA-N	1	3	264.369	2.234	10	10		CECEHO
[NH3+]Cc1ccc(N2CCN(C3CCCC3)CC2)cc1	ZINC000020265961	295278303	/nfs/dbraw/zinc/27/83/03/295278303.db2.gz	FBCWQUWYPBGFEJ-UHFFFAOYSA-N	1	3	259.397	2.210	10	10		CECEHO
C[NH2+]Cc1ccc(N2CCN(C(C)C)CC2)c(C)c1	ZINC000050560488	522120453	/nfs/dbraw/zinc/12/04/53/522120453.db2.gz	SARCULLDZQPVKB-UHFFFAOYSA-N	1	3	261.413	2.245	10	10		CECEHO
C[NH2+]C[C@H]1CCN([C@H](C)c2ccc(N(C)C)cc2)C1	ZINC000071141753	176039619	/nfs/dbraw/zinc/03/96/19/176039619.db2.gz	LCCFFGMMMDCHNG-ZIAGYGMSSA-N	1	3	261.413	2.355	10	10		CECEHO
CC[NH2+]Cc1ccc(N2CCCN(C)CC2)c(C)c1	ZINC000050560009	519997472	/nfs/dbraw/zinc/99/74/72/519997472.db2.gz	PEQORYQZZHGOQV-UHFFFAOYSA-N	1	3	261.413	2.246	10	10		CECEHO
CN(C)c1ccc(CN(C)[C@H]2CCC[NH2+]CC2)cc1	ZINC000231463007	639857173	/nfs/dbraw/zinc/85/71/73/639857173.db2.gz	UUUQOGIAVGZZRH-INIZCTEOSA-N	1	3	261.413	2.327	10	10		CECEHO
CCCN1CCN(c2ccc(C[NH2+]C)cc2C)CC1	ZINC000050559977	519860336	/nfs/dbraw/zinc/86/03/36/519860336.db2.gz	JJWKCXFMDSVJEE-UHFFFAOYSA-N	1	3	261.413	2.246	10	10		CECEHO
C[NH2+]C[C@H]1CCN([C@@H](C)c2ccc(N(C)C)cc2)C1	ZINC000071141751	176039436	/nfs/dbraw/zinc/03/94/36/176039436.db2.gz	LCCFFGMMMDCHNG-UONOGXRCSA-N	1	3	261.413	2.355	10	10		CECEHO
C[NH2+]C[C@H]1CCN([C@@H](C)c2cc(OC)ccc2O)C1	ZINC000071141805	176039927	/nfs/dbraw/zinc/03/99/27/176039927.db2.gz	WJLSKHRIVSQLGL-NWDGAFQWSA-N	1	3	264.369	2.003	10	10		CECEHO
CC[C@H](C)N1CCN(c2ccc(C[NH3+])c(C)c2)CC1	ZINC000055068609	523960742	/nfs/dbraw/zinc/96/07/42/523960742.db2.gz	GNUYFZGGNBRJFX-AWEZNQCLSA-N	1	3	261.413	2.374	10	10		CECEHO
CC[C@@H](C)N1CCN(c2ccc(C[NH3+])c(C)c2)CC1	ZINC000055068607	522133877	/nfs/dbraw/zinc/13/38/77/522133877.db2.gz	GNUYFZGGNBRJFX-CQSZACIVSA-N	1	3	261.413	2.374	10	10		CECEHO
Nc1cc(C[NH+]2CCCC2)c([O-])c(C[NH+]2CCCC2)c1	ZINC000027883080	361661502	/nfs/dbraw/zinc/66/15/02/361661502.db2.gz	ZCVLBPMYDFQUBD-UHFFFAOYSA-N	1	3	275.396	2.166	10	10		CECEHO
CN(c1ccc(C[NH3+])cc1Cl)[C@@H]1CCCN(C)C1	ZINC000062793159	523637493	/nfs/dbraw/zinc/63/74/93/523637493.db2.gz	OTORZTYQXBEILS-GFCCVEGCSA-N	1	3	267.804	2.329	10	10		CECEHO
CN(C)c1ccc(CN(C)[C@@H]2CCC[NH2+]CC2)cc1	ZINC000231462983	639856976	/nfs/dbraw/zinc/85/69/76/639856976.db2.gz	UUUQOGIAVGZZRH-MRXNPFEDSA-N	1	3	261.413	2.327	10	10		CECEHO
C[NH2+]C[C@H]1CCN([C@H](C)c2cc(OC)ccc2O)C1	ZINC000071141806	176040431	/nfs/dbraw/zinc/04/04/31/176040431.db2.gz	WJLSKHRIVSQLGL-VXGBXAGGSA-N	1	3	264.369	2.003	10	10		CECEHO
C[NH2+]Cc1ccc(N(C)C2CCN(C)CC2)cc1C	ZINC000050581360	522120513	/nfs/dbraw/zinc/12/05/13/522120513.db2.gz	RIHOHJPUWLWBJH-UHFFFAOYSA-N	1	3	261.413	2.245	10	10		CECEHO
CCOc1cccc(CN(C)[C@H]2CCC[NH2+]CC2)c1O	ZINC000231455995	639854137	/nfs/dbraw/zinc/85/41/37/639854137.db2.gz	DQBGSOLWYUXAOA-AWEZNQCLSA-N	1	3	278.396	2.365	10	10		CECEHO
CN(c1ccc(C[NH3+])cc1Cl)[C@H]1CCCN(C)C1	ZINC000062793158	523637131	/nfs/dbraw/zinc/63/71/31/523637131.db2.gz	OTORZTYQXBEILS-LBPRGKRZSA-N	1	3	267.804	2.329	10	10		CECEHO
CCCN(CCN(C)C)c1ccc(C[NH2+]C)c(C)c1	ZINC000050584818	521659079	/nfs/dbraw/zinc/65/90/79/521659079.db2.gz	DBPRKBJVDABHLN-UHFFFAOYSA-N	1	3	263.429	2.492	10	10		CECEHO
C[C@H]([NH2+]CCCN1CCCC1)c1cc(O)ccc1O	ZINC000020129060	171016486	/nfs/dbraw/zinc/01/64/86/171016486.db2.gz	VHBSQADZSRIANA-LBPRGKRZSA-N	1	3	264.369	2.234	10	10		CECEHO
CCOc1cccc(CN(C)[C@@H]2CCC[NH2+]CC2)c1O	ZINC000231455967	639855367	/nfs/dbraw/zinc/85/53/67/639855367.db2.gz	DQBGSOLWYUXAOA-CQSZACIVSA-N	1	3	278.396	2.365	10	10		CECEHO