smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
[NH3+]C1CC(c2cc(NCC[NH+]3CCCCC3)nc(C3CC3)n2)C1	ZINC000218407307	402295890	/nfs/dbraw/zinc/29/58/90/402295890.db2.gz	UXKMHLGVNWYLQO-UHFFFAOYSA-N	2	0	315.465	2.457	50	70		DEIARP
O[C@@H]1CN(c2cc[nH+]cc2)CC[N@H+](Cc2cc3ccccc3[nH]2)C1	ZINC000217195808	402291244	/nfs/dbraw/zinc/29/12/44/402291244.db2.gz	GTYCTVBXEVRPQL-SFHVURJKSA-N	2	0	322.412	2.246	50	70		DEIARP
[NH3+]C1CC(c2cc(NCCC34CCC[NH+]3CCC4)ncn2)C1	ZINC000218039480	402294076	/nfs/dbraw/zinc/29/40/76/402294076.db2.gz	SXKFWRNYTHPNJO-UHFFFAOYSA-N	2	0	301.438	2.112	50	70		DEIARP
Cc1nn(-c2ccccc2)cc1C[N@@H+]1C[C@@H]2[C@@H](C[NH+](C)C)[C@@H]2C1	ZINC000217420067	402292568	/nfs/dbraw/zinc/29/25/68/402292568.db2.gz	CKDGHKCIYZFARL-LDLYASANSA-N	2	0	310.445	2.420	50	70		DEIARP
Cc1cccc(-n2cc(C[N@@H+]3C[C@@H]4[C@@H](C[NH+](C)C)[C@@H]4C3)cn2)c1	ZINC000217867138	539727157	/nfs/dbraw/zinc/72/71/57/539727157.db2.gz	OMXISAPJUISICC-LDLYASANSA-N	2	0	310.445	2.420	50	70		DEIARP
OCC1(C[NH+]2CCCC2)CC[NH+](Cc2cccc(O)c2)CC1	ZINC000218016375	402294425	/nfs/dbraw/zinc/29/44/25/402294425.db2.gz	KNAFQWTXAMMWNQ-UHFFFAOYSA-N	2	0	304.434	2.063	50	70		DEIARP
C[NH+](C)CCCOc1cccc(C[N@H+]2C[C@H]3CC[C@@H](C2)[C@H]3O)c1	ZINC000217008183	402290885	/nfs/dbraw/zinc/29/08/85/402290885.db2.gz	WVYQPWUZCHQWLE-DZFIZOCASA-N	2	0	318.461	2.220	50	70		DEIARP
O[C@@H]1CN(c2cc[nH+]cc2)CC[N@H+](Cc2cccc3cc[nH]c32)C1	ZINC000217020482	402290830	/nfs/dbraw/zinc/29/08/30/402290830.db2.gz	BOSMAYUGTJVNIN-SFHVURJKSA-N	2	0	322.412	2.246	50	70		DEIARP
CN(CCC[NH+]1CCCCCC1)c1cc(C2CC([NH3+])C2)ncn1	ZINC000218616895	201541237	/nfs/dbraw/zinc/54/12/37/201541237.db2.gz	KXQPRHPXBNAKCG-UHFFFAOYSA-N	2	0	317.481	2.384	50	70		DEIARP