smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC[NH+]1CCN(C(=O)c2cc(S(=O)(=O)N3CCN(C)CC3)ccc2C)CC1	ZINC000216863077	570308757	/nfs/dbraw/zinc/30/87/57/570308757.db2.gz	AHHWYMXPXXGPKZ-UHFFFAOYSA-N	1	1	394.541	0.709	40	70		GCIBMO
C[C@@H](C(=O)NCCC[NH+]1CCOCC1)N(c1ccc(F)cc1)S(C)(=O)=O	ZINC000218455848	570334836	/nfs/dbraw/zinc/33/48/36/570334836.db2.gz	HRDYJVMIHYASFF-AWEZNQCLSA-N	1	1	387.477	0.819	40	70		GCIBMO
COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)[C@H]1CCC[N@@H+](C)C1	ZINC000216911660	570309071	/nfs/dbraw/zinc/30/90/71/570309071.db2.gz	DNPSSBBTQVTIAH-AWEZNQCLSA-N	1	1	397.497	0.996	40	70		GCIBMO
CC[C@@H](C(=O)NCCC[NH+]1CCN(C)CC1)N(c1ccccc1)S(C)(=O)=O	ZINC000217015542	570311012	/nfs/dbraw/zinc/31/10/12/570311012.db2.gz	BVQBUDXILXIFLL-SFHVURJKSA-N	1	1	396.557	0.985	40	70		GCIBMO
Cc1ccc(N([C@@H](C)C(=O)NCCC[NH+]2CCOCC2)S(C)(=O)=O)cc1	ZINC000218353835	570332576	/nfs/dbraw/zinc/33/25/76/570332576.db2.gz	ICGXUKIQRRCTSY-INIZCTEOSA-N	1	1	383.514	0.988	40	70		GCIBMO
CN1CC[NH+](CCCNC(=O)CCCN(c2ccccc2)S(C)(=O)=O)CC1	ZINC000217035573	570312534	/nfs/dbraw/zinc/31/25/34/570312534.db2.gz	LPORLMGQCKPZCZ-UHFFFAOYSA-N	1	1	396.557	0.987	40	70		GCIBMO
CC[NH+]1CCN(C(=O)c2ccc(C)c(S(=O)(=O)N3CCN(C)CC3)c2)CC1	ZINC000216856991	570308252	/nfs/dbraw/zinc/30/82/52/570308252.db2.gz	JFCOFXWQTZCNLF-UHFFFAOYSA-N	1	1	394.541	0.709	40	70		GCIBMO
COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)[C@@H]1CCC[N@@H+](C)C1	ZINC000216911630	570309207	/nfs/dbraw/zinc/30/92/07/570309207.db2.gz	DNPSSBBTQVTIAH-CQSZACIVSA-N	1	1	397.497	0.996	40	70		GCIBMO
CC[C@H](C(=O)NCCC[NH+]1CCN(C)CC1)N(c1ccccc1)S(C)(=O)=O	ZINC000217015582	570311054	/nfs/dbraw/zinc/31/10/54/570311054.db2.gz	BVQBUDXILXIFLL-GOSISDBHSA-N	1	1	396.557	0.985	40	70		GCIBMO
C[C@H](C(=O)NCCC[NH+]1CCOCC1)N(c1ccc(F)cc1)S(C)(=O)=O	ZINC000218455927	570334783	/nfs/dbraw/zinc/33/47/83/570334783.db2.gz	HRDYJVMIHYASFF-CQSZACIVSA-N	1	1	387.477	0.819	40	70		GCIBMO
CCOc1ccccc1N(CC(=O)NCCC[NH+]1CCOCC1)S(C)(=O)=O	ZINC000218257159	570329143	/nfs/dbraw/zinc/32/91/43/570329143.db2.gz	PXKIHESHDIBZNZ-UHFFFAOYSA-N	1	1	399.513	0.690	40	70		GCIBMO
Cc1ccc(N([C@H](C)C(=O)NCCC[NH+]2CCOCC2)S(C)(=O)=O)cc1	ZINC000218353924	570332367	/nfs/dbraw/zinc/33/23/67/570332367.db2.gz	ICGXUKIQRRCTSY-MRXNPFEDSA-N	1	1	383.514	0.988	40	70		GCIBMO
COc1ccc(NC(=O)[C@H]2CCC[N@@H+](C)C2)cc1S(=O)(=O)N1CCOCC1	ZINC000216911505	570309221	/nfs/dbraw/zinc/30/92/21/570309221.db2.gz	UKLGPVRRGLLQRQ-AWEZNQCLSA-N	1	1	397.497	0.996	40	70		GCIBMO
COc1ccc(NC(=O)[C@@H]2CCC[N@@H+](C)C2)cc1S(=O)(=O)N1CCOCC1	ZINC000216911479	570309029	/nfs/dbraw/zinc/30/90/29/570309029.db2.gz	UKLGPVRRGLLQRQ-CQSZACIVSA-N	1	1	397.497	0.996	40	70		GCIBMO