smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)(C)c1cc(C[NH+]2CCOCC2)c(O)c(C[NH+]2CCOCC2)c1	ZINC000019313329	212013779	/nfs/dbraw/zinc/01/37/79/212013779.db2.gz	ICWMMJVMJHKUBX-UHFFFAOYSA-N	2	2	348.487	2.354	50	10		EECALP
CCOC(=O)c1c(C)n(C)c2cc(C[NH+](C)C)c(O)c(C[NH+](C)C)c21	ZINC000000190254	462546313	/nfs/dbraw/zinc/54/63/13/462546313.db2.gz	VYZXMUOOBVQICC-UHFFFAOYSA-N	2	2	347.459	2.492	50	10		EECALP
CNc1cc(N2CCC[C@H]2C[NH2+]Cc2ccc3c(c2)CCO3)nc[nH+]1	ZINC000109070237	533053267	/nfs/dbraw/zinc/05/32/67/533053267.db2.gz	IUYWWAZFEXXZIH-INIZCTEOSA-N	2	2	339.443	2.212	50	10		EECALP
Oc1c(C[NH+]2CCOCC2)cc(C[NH+]2CCOCC2)c2ccccc12	ZINC000071770077	463424512	/nfs/dbraw/zinc/42/45/12/463424512.db2.gz	DWPNHWPBMLKGLD-UHFFFAOYSA-N	2	2	342.439	2.210	50	10		EECALP
C[NH+](C)Cc1cc(C[NH+]2CCC([NH+]3CCSCC3)CC2)ccc1O	ZINC000067756923	215204464	/nfs/dbraw/zinc/20/44/64/215204464.db2.gz	ZXXIFPVQAZUJDX-UHFFFAOYSA-N	3	2	349.544	2.467	50	10		EECALP
CNc1cc(N2CCC[C@@H]2C[NH2+]Cc2ccc3c(c2)CCO3)nc[nH+]1	ZINC000109070235	533050232	/nfs/dbraw/zinc/05/02/32/533050232.db2.gz	IUYWWAZFEXXZIH-MRXNPFEDSA-N	2	2	339.443	2.212	50	10		EECALP
CO[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C1CCN(c2ccc3c(c2)CCC3)CC1	ZINC001506407841	1114598083	/nfs/dbraw/zinc/59/80/83/1114598083.db2.gz	UWHYXRCECXDPLD-VQTJNVASSA-N	2	2	329.488	2.111	50	10		EECALP
C[NH+](C)CCCN(CCC[NH+](C)C)Cc1cc([N+](=O)[O-])ccc1O	ZINC000002498610	462593875	/nfs/dbraw/zinc/59/38/75/462593875.db2.gz	HHKFRCAXNWAOGW-UHFFFAOYSA-N	2	2	338.452	2.006	50	10		EECALP