smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
c1c(C[N@@H+]2CCC[C@@H](c3ccccc3)CC2)nn2c1C[NH2+]CC2	ZINC000072171716	191069101	/nfs/dbraw/zinc/06/91/01/191069101.db2.gz	KGUCVGHVBPIMSR-QGZVFWFLSA-N	2	1	310.445	2.756	30	0		DFACMP
c1c(C[N@H+]2CCC[C@@H](c3ccccc3)CC2)nn2c1C[NH2+]CC2	ZINC000072171716	191069104	/nfs/dbraw/zinc/06/91/04/191069104.db2.gz	KGUCVGHVBPIMSR-QGZVFWFLSA-N	2	1	310.445	2.756	30	0		DFACMP
CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)[C@@H]1CCCC[NH+]1C	ZINC000069871877	425961693	/nfs/dbraw/zinc/96/16/93/425961693.db2.gz	HCVIHECLXOPIEH-SFHVURJKSA-N	2	1	317.477	2.627	30	0		DFACMP
CC(C)[NH+](C)Cc1ccccc1CNC(=O)[C@@H]1CCCC[N@@H+]1C	ZINC000069871877	425961696	/nfs/dbraw/zinc/96/16/96/425961696.db2.gz	HCVIHECLXOPIEH-SFHVURJKSA-N	2	1	317.477	2.627	30	0		DFACMP
CC(C)[NH+](C)Cc1ccccc1CNC(=O)[C@@H]1CCCC[N@H+]1C	ZINC000069871877	425961698	/nfs/dbraw/zinc/96/16/98/425961698.db2.gz	HCVIHECLXOPIEH-SFHVURJKSA-N	2	1	317.477	2.627	30	0		DFACMP
c1c(C[N@@H+]2CCC[C@H](c3ccccc3)CC2)nn2c1C[NH2+]CC2	ZINC000072171717	191069965	/nfs/dbraw/zinc/06/99/65/191069965.db2.gz	KGUCVGHVBPIMSR-KRWDZBQOSA-N	2	1	310.445	2.756	30	0		DFACMP
c1c(C[N@H+]2CCC[C@H](c3ccccc3)CC2)nn2c1C[NH2+]CC2	ZINC000072171717	191069966	/nfs/dbraw/zinc/06/99/66/191069966.db2.gz	KGUCVGHVBPIMSR-KRWDZBQOSA-N	2	1	310.445	2.756	30	0		DFACMP
COCCn1cc[nH+]c1[C@H]1CCCN(c2cc[nH+]cc2C)C1	ZINC000095515399	185376617	/nfs/dbraw/zinc/37/66/17/185376617.db2.gz	COQMRCRNGWNLQO-HNNXBMFYSA-N	2	1	300.406	2.617	30	0		DFACMP
Cc1n[nH]c(C)c1CC[N@@H+](C)C[C@@H]1CCC[NH+]2CCCC[C@H]12	ZINC000072137079	191045872	/nfs/dbraw/zinc/04/58/72/191045872.db2.gz	BWMAATQNLNXFFU-FUHWJXTLSA-N	2	1	304.482	2.765	30	0		DFACMP
Cc1n[nH]c(C)c1CC[N@H+](C)C[C@@H]1CCC[NH+]2CCCC[C@H]12	ZINC000072137079	191045874	/nfs/dbraw/zinc/04/58/74/191045874.db2.gz	BWMAATQNLNXFFU-FUHWJXTLSA-N	2	1	304.482	2.765	30	0		DFACMP
Cc1n[nH]c(C)c1CC[NH+](C)C[C@@H]1CCC[N@@H+]2CCCC[C@H]12	ZINC000072137079	191045877	/nfs/dbraw/zinc/04/58/77/191045877.db2.gz	BWMAATQNLNXFFU-FUHWJXTLSA-N	2	1	304.482	2.765	30	0		DFACMP
Cc1n[nH]c(C)c1CC[NH+](C)C[C@@H]1CCC[N@H+]2CCCC[C@H]12	ZINC000072137079	191045880	/nfs/dbraw/zinc/04/58/80/191045880.db2.gz	BWMAATQNLNXFFU-FUHWJXTLSA-N	2	1	304.482	2.765	30	0		DFACMP
CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)[C@H]1CCCC[NH+]1C	ZINC000069871882	425960992	/nfs/dbraw/zinc/96/09/92/425960992.db2.gz	HCVIHECLXOPIEH-GOSISDBHSA-N	2	1	317.477	2.627	30	0		DFACMP
CC(C)[NH+](C)Cc1ccccc1CNC(=O)[C@H]1CCCC[N@@H+]1C	ZINC000069871882	425960996	/nfs/dbraw/zinc/96/09/96/425960996.db2.gz	HCVIHECLXOPIEH-GOSISDBHSA-N	2	1	317.477	2.627	30	0		DFACMP
CC(C)[NH+](C)Cc1ccccc1CNC(=O)[C@H]1CCCC[N@H+]1C	ZINC000069871882	425961002	/nfs/dbraw/zinc/96/10/02/425961002.db2.gz	HCVIHECLXOPIEH-GOSISDBHSA-N	2	1	317.477	2.627	30	0		DFACMP
COCCn1cc[nH+]c1[C@@H]1CCCN(c2cc[nH+]cc2C)C1	ZINC000095515400	185376548	/nfs/dbraw/zinc/37/65/48/185376548.db2.gz	COQMRCRNGWNLQO-OAHLLOKOSA-N	2	1	300.406	2.617	30	0		DFACMP