smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[N@H+](C[C@@H](Nc1ncccc1[N+](=O)[O-])c1ccccc1)C1CC[NH+](C)CC1	ZINC000058439954	205275537	/nfs/dbraw/zinc/27/55/37/205275537.db2.gz	ZJQXIHGARKTEOR-GOSISDBHSA-N	2	2	369.469	3.169	50	5		FGBALP
C[N@@H+](C[C@@H](Nc1ncccc1[N+](=O)[O-])c1ccccc1)C1CC[NH+](C)CC1	ZINC000058439954	205275541	/nfs/dbraw/zinc/27/55/41/205275541.db2.gz	ZJQXIHGARKTEOR-GOSISDBHSA-N	2	2	369.469	3.169	50	5		FGBALP
C[N@H+](C[C@H](Nc1ncccc1[N+](=O)[O-])c1ccccc1)C1CC[NH+](C)CC1	ZINC000058439952	212010295	/nfs/dbraw/zinc/01/02/95/212010295.db2.gz	ZJQXIHGARKTEOR-SFHVURJKSA-N	2	2	369.469	3.169	50	5		FGBALP
C[N@@H+](C[C@H](Nc1ncccc1[N+](=O)[O-])c1ccccc1)C1CC[NH+](C)CC1	ZINC000058439952	212010299	/nfs/dbraw/zinc/01/02/99/212010299.db2.gz	ZJQXIHGARKTEOR-SFHVURJKSA-N	2	2	369.469	3.169	50	5		FGBALP
CC(=O)c1ccc(NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)c([N+](=O)[O-])c1	ZINC000078457560	494299245	/nfs/dbraw/zinc/29/92/45/494299245.db2.gz	SFVKZPCHGUVUBX-UHFFFAOYSA-N	2	2	374.485	3.160	50	5		FGBALP
C[C@@H]([NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCO2)c1ccc(-n2cc[nH+]c2)cc1	ZINC000023994846	494595384	/nfs/dbraw/zinc/59/53/84/494595384.db2.gz	ISNFJJLNHHFZGK-CYBMUJFWSA-N	2	2	366.377	3.360	50	5		FGBALP
C[C@H]([NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCO2)c1ccc(-n2cc[nH+]c2)cc1	ZINC000023994848	494594862	/nfs/dbraw/zinc/59/48/62/494594862.db2.gz	ISNFJJLNHHFZGK-ZDUSSCGKSA-N	2	2	366.377	3.360	50	5		FGBALP
Cc1cc(N2CC[NH+](Cc3cccc([N+](=O)[O-])c3)CC2)nc(C(C)C)[nH+]1	ZINC000009723114	494131210	/nfs/dbraw/zinc/13/12/10/494131210.db2.gz	CSSYRUWFHJGLGY-UHFFFAOYSA-N	2	2	355.442	3.139	50	5		FGBALP
Cc1cc(NC[C@@H]2CC[N@@H+](C3CC3)C2)nc(-c2cccc([N+](=O)[O-])c2)[nH+]1	ZINC000069778987	221328134	/nfs/dbraw/zinc/32/81/34/221328134.db2.gz	MJUVCGKRHOQWIJ-AWEZNQCLSA-N	2	2	353.426	3.256	50	5		FGBALP
Cc1cc(NC[C@@H]2CC[N@H+](C3CC3)C2)nc(-c2cccc([N+](=O)[O-])c2)[nH+]1	ZINC000069778987	221328136	/nfs/dbraw/zinc/32/81/36/221328136.db2.gz	MJUVCGKRHOQWIJ-AWEZNQCLSA-N	2	2	353.426	3.256	50	5		FGBALP
C[NH+]1CCC(CNc2ccc([N+](=O)[O-])cc2F)([NH+]2CCCCC2)CC1	ZINC000078457551	494299460	/nfs/dbraw/zinc/29/94/60/494299460.db2.gz	YWPPPWZTUCGSLU-UHFFFAOYSA-N	2	2	350.438	3.096	50	5		FGBALP
Cc1cc(NC[C@H]2CC[N@@H+](C3CC3)C2)nc(-c2cccc([N+](=O)[O-])c2)[nH+]1	ZINC000069778989	221328049	/nfs/dbraw/zinc/32/80/49/221328049.db2.gz	MJUVCGKRHOQWIJ-CQSZACIVSA-N	2	2	353.426	3.256	50	5		FGBALP
Cc1cc(NC[C@H]2CC[N@H+](C3CC3)C2)nc(-c2cccc([N+](=O)[O-])c2)[nH+]1	ZINC000069778989	221328052	/nfs/dbraw/zinc/32/80/52/221328052.db2.gz	MJUVCGKRHOQWIJ-CQSZACIVSA-N	2	2	353.426	3.256	50	5		FGBALP
Cc1cc(N2CC[NH+](Cc3ccc([N+](=O)[O-])cc3)CC2)nc(C(C)C)[nH+]1	ZINC000012616402	494247612	/nfs/dbraw/zinc/24/76/12/494247612.db2.gz	UKXJFPPFDMHGIT-UHFFFAOYSA-N	2	2	355.442	3.139	50	5		FGBALP