smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1[nH][nH]c(=O)c1[C@@H](CC(N)=O)c1ccc(-c2ccccc2)o1	ZINC000218159994	402294740	/nfs/dbraw/zinc/29/47/40/402294740.db2.gz	OWGASFWNMHVLRV-LBPRGKRZSA-N	-1	0	311.341	2.279	50	70		DEIARM
O=C([N-]S(=O)(=O)C1CCCCC1)[C@@H]1OCCc2ccccc21	ZINC000160642543	197428851	/nfs/dbraw/zinc/42/88/51/197428851.db2.gz	MIENMZGWRLBNGU-OAHLLOKOSA-N	-1	0	323.414	2.079	50	70		DEIARM
CN(Cc1ccccc1-n1cccn1)C(=O)c1ccncc1[O-]	ZINC000218486479	402296276	/nfs/dbraw/zinc/29/62/76/402296276.db2.gz	QLNUXMICJKLVJC-UHFFFAOYSA-N	-1	0	308.341	2.245	50	70		DEIARM
Cc1cc(C(=O)NCc2n[nH]c(=O)[n-]2)sc1-c1ccccc1	ZINC000216908775	201500802	/nfs/dbraw/zinc/50/08/02/201500802.db2.gz	ULSIFVRRKUTAGU-UHFFFAOYSA-N	-1	0	314.370	2.065	50	70		DEIARM
CC[C@H]([N-]S(=O)(=O)c1c(C)noc1C)c1nccs1	ZINC000159916366	197374043	/nfs/dbraw/zinc/37/40/43/197374043.db2.gz	QZLSJRIZMSPNRJ-VIFPVBQESA-N	-1	0	301.393	2.178	50	70		DEIARM
Cc1[nH][nH]c(=O)c1[C@H](CC(N)=O)c1ccc(-c2ccccc2)o1	ZINC000218159913	402295022	/nfs/dbraw/zinc/29/50/22/402295022.db2.gz	OWGASFWNMHVLRV-GFCCVEGCSA-N	-1	0	311.341	2.279	50	70		DEIARM
COC(=O)C[C@@H](c1ccc(OC)cc1)c1c([O-])cc(C)oc1=O	ZINC000217944154	402294248	/nfs/dbraw/zinc/29/42/48/402294248.db2.gz	OQKZPAXQLIAKFN-ZDUSSCGKSA-N	-1	0	318.325	2.357	50	70	biogenic	DEIARM
COC(=O)C[C@H](c1ccc(OC)cc1)c1c([O-])cc(C)oc1=O	ZINC000217944064	402294241	/nfs/dbraw/zinc/29/42/41/402294241.db2.gz	OQKZPAXQLIAKFN-CYBMUJFWSA-N	-1	0	318.325	2.357	50	70	biogenic	DEIARM
CN(Cc1cccc(-n2cccn2)c1)C(=O)c1ccncc1[O-]	ZINC000218307668	402295424	/nfs/dbraw/zinc/29/54/24/402295424.db2.gz	FYQHAXIHTYTUOC-UHFFFAOYSA-N	-1	0	308.341	2.245	50	70		DEIARM
Cc1scc(C(=O)NCc2n[nH]c(=O)[n-]2)c1-c1ccccc1	ZINC000217014105	402290585	/nfs/dbraw/zinc/29/05/85/402290585.db2.gz	XKBKUZNMBOCOKF-UHFFFAOYSA-N	-1	0	314.370	2.065	50	70		DEIARM
O=C([N-]S(=O)(=O)C1CCCCC1)[C@H]1OCCc2ccccc21	ZINC000160642416	402354789	/nfs/dbraw/zinc/35/47/89/402354789.db2.gz	MIENMZGWRLBNGU-HNNXBMFYSA-N	-1	0	323.414	2.079	50	70		DEIARM
CC[C@@H]([N-]S(=O)(=O)c1c(C)noc1C)c1nccs1	ZINC000159916509	197373767	/nfs/dbraw/zinc/37/37/67/197373767.db2.gz	QZLSJRIZMSPNRJ-SECBINFHSA-N	-1	0	301.393	2.178	50	70		DEIARM
COc1ccc2ncc(C(=O)NCCc3ccccn3)c(O)c2c1	ZINC000218157675	402294684	/nfs/dbraw/zinc/29/46/84/402294684.db2.gz	FRDVZAFXGDWGGL-UHFFFAOYSA-N	-1	0	323.352	2.317	50	70		DEIARM