smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCCOCCCNCC(=O)Nc1ccc(S(=O)(=O)c2ccc(NC(=O)C[NH2+]CCCOCCCC)cc2)cc1	ZINC000004963343	552490515	/nfs/dbraw/zinc/49/05/15/552490515.db2.gz	YIDILBTWQBYCMK-UHFFFAOYSA-N	1	3	590.787	3.989	40	0		KHABHO
CC(C)(NC(=O)NCCN1CCCCC1)c1cccc(C(C)(C)NC(=O)NCC[NH+]2CCCCC2)c1	ZINC000016323370	553560492	/nfs/dbraw/zinc/56/04/92/553560492.db2.gz	IYBOSJAIXDNQCB-UHFFFAOYSA-N	1	3	500.732	3.727	40	0		KHABHO
O=C(NCCCCCCNC(=O)N1CC[NH+](C2CCCCC2)CC1)N1CCN(C2CCCCC2)CC1	ZINC000019074975	553612493	/nfs/dbraw/zinc/61/24/93/553612493.db2.gz	QNTJYBSKLDXKJT-UHFFFAOYSA-N	1	3	504.764	3.867	40	0		KHABHO
Oc1ccc2c3c1O[C@@H]1c4[nH]c5c(c4C[C@]4(O)[C@H](C2)N(CC2CC2)CC[C@@]314)C[C@]1(O)[C@@H]2Cc3ccc(O)c4c3[C@]1(CC[N@@H+]2CC1CC1)[C@@H]5O4	ZINC000028762995	561958537	/nfs/dbraw/zinc/95/85/37/561958537.db2.gz	APSUXPSYBJVPPS-SZZROTLHSA-N	1	3	661.799	3.824	40	0		KHABHO
Oc1ccc2c3c1O[C@@H]1c4[nH]c5c(c4C[C@]4(O)[C@H](C2)N(CC2CC2)CC[C@@]314)C[C@]1(O)[C@@H]2Cc3ccc(O)c4c3[C@]1(CC[N@H+]2CC1CC1)[C@@H]5O4	ZINC000028762995	561958535	/nfs/dbraw/zinc/95/85/35/561958535.db2.gz	APSUXPSYBJVPPS-SZZROTLHSA-N	1	3	661.799	3.824	40	0		KHABHO
COc1cc(CN2CCC3(CC2)C[C@H](N(C)C(=O)OC(C)(C)C)[C@@](C)(O)CO3)ccc1OCCC[NH+](C)C	ZINC000585273933	1066305532	/nfs/dbraw/zinc/30/55/32/1066305532.db2.gz	TWODVYFUQOZTRA-LSYYVWMOSA-N	1	3	535.726	3.767	40	0		KHABHO