smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc(/C=C\C(=O)[O-])c(C)n1-c1ccc(OC(F)F)cc1	ZINC000083310025	185221854	/nfs/dbraw/zinc/22/18/54/185221854.db2.gz	PTLRMJXQIFVVOL-BAQGIRSFSA-N	-1	0	307.296	3.793	10	10		DHCERM
Cn1c2ccccc2c([O-])c(N=Nc2ccccc2[N+](=O)[O-])c1=O	ZINC000111861969	194419874	/nfs/dbraw/zinc/41/98/74/194419874.db2.gz	BUJQHRIAICVCEJ-ISLYRVAYSA-N	-1	0	324.296	3.568	10	10		DHCERM
CCN(CC)c1ccc(-c2nc3cc(C(=O)[O-])ccc3[nH]2)cc1	ZINC000095934896	193450408	/nfs/dbraw/zinc/45/04/08/193450408.db2.gz	WFWJDHLCDIPTID-UHFFFAOYSA-N	-1	0	309.369	3.774	10	10		DHCERM
CCc1nc(C2(NCc3cccc(Cl)c3[O-])CCCC2)no1	ZINC000181796498	522244944	/nfs/dbraw/zinc/24/49/44/522244944.db2.gz	FLYNBNBSWYDHDV-UHFFFAOYSA-N	-1	0	321.808	3.550	10	10		DHCERM
Cc1cc(/N=N/c2ccc(S(=O)(=O)[O-])cc2C)ccc1N	ZINC000005419631	181241227	/nfs/dbraw/zinc/24/12/27/181241227.db2.gz	OLDIJSAKWOOHRZ-WUKNDPDISA-N	-1	0	305.359	3.548	10	10		DHCERM
CCCc1[n-]n(-c2ccccc2)c(=O)c1C(C)=Nc1cccnc1	ZINC000017055337	182072574	/nfs/dbraw/zinc/07/25/74/182072574.db2.gz	VPJYKPVMPQMOLY-NBVRZTHBSA-N	-1	0	320.396	3.970	10	10		DHCERM
CN(C)c1ccc(-c2nc3ccc(CC(=O)[O-])cc3s2)cc1	ZINC000584639493	337379795	/nfs/dbraw/zinc/37/97/95/337379795.db2.gz	QQGKSHLZJSNCDY-UHFFFAOYSA-N	-1	0	312.394	3.656	10	10		DHCERM
Cc1oc(C(=O)[O-])cc1COc1ccccc1Br	ZINC000011800052	181706592	/nfs/dbraw/zinc/70/65/92/181706592.db2.gz	OJIVPEJYQHBLPO-UHFFFAOYSA-N	-1	0	311.131	3.628	10	10		DHCERM
O=C([O-])c1cc(-c2ccccc2)sc1NC(=O)c1cccnc1	ZINC000020335096	182209411	/nfs/dbraw/zinc/20/94/11/182209411.db2.gz	RYFLFRCJUIEYOR-UHFFFAOYSA-N	-1	0	324.361	3.761	10	10		DHCERM
O=C([O-])c1cc(-c2ccccc2)sc1NC(=O)C(F)(F)F	ZINC000020335137	182209206	/nfs/dbraw/zinc/20/92/06/182209206.db2.gz	GTOANMXOMZKVMB-UHFFFAOYSA-N	-1	0	315.272	3.614	10	10		DHCERM
Cc1cnn([C@H]2CCC[N@H+](Cc3c([O-])ccc(Cl)c3F)C2)c1	ZINC000191344020	337296164	/nfs/dbraw/zinc/29/61/64/337296164.db2.gz	GDBKFKFCPKSLQW-LBPRGKRZSA-N	-1	0	323.799	3.527	10	10		DHCERM
Cc1oc(C(=O)[O-])cc1COc1ccc(Cl)c(F)c1F	ZINC000396643354	972929212	/nfs/dbraw/zinc/92/92/12/972929212.db2.gz	JDPMKYIZQNYAMN-UHFFFAOYSA-N	-1	0	302.660	3.797	10	10		DHCERM
O=c1c2ccc([O-])c(O)c2oc(C(F)(F)F)c1-c1ccccc1	ZINC000006454246	181341982	/nfs/dbraw/zinc/34/19/82/181341982.db2.gz	JPQOLHQTJRIHOU-UHFFFAOYSA-N	-1	0	322.238	3.890	10	10		DHCERM
O=C([O-])c1cc(-c2ccccc2)sc1NC(=O)c1ccco1	ZINC000020335022	182209149	/nfs/dbraw/zinc/20/91/49/182209149.db2.gz	VIJYUWPQNIWHFX-UHFFFAOYSA-N	-1	0	313.334	3.959	10	10		DHCERM
Cc1cc(C(=O)[O-])c(C)n1-c1ccc(C)c(Br)c1	ZINC000057652872	184043894	/nfs/dbraw/zinc/04/38/94/184043894.db2.gz	WFYAPRARRDLKPS-UHFFFAOYSA-N	-1	0	308.175	3.863	10	10		DHCERM
Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1Cc1cccc(Cl)c1[O-]	ZINC000180136424	337172406	/nfs/dbraw/zinc/17/24/06/337172406.db2.gz	DMMZDAKWTINOHC-OAHLLOKOSA-N	-1	0	319.836	3.733	10	10		DHCERM
CC(C)c1nc([C@H]2CCCN2Cc2cccc(Cl)c2[O-])no1	ZINC000179967945	519868297	/nfs/dbraw/zinc/86/82/97/519868297.db2.gz	LHDMGHRSMUUKEE-CYBMUJFWSA-N	-1	0	321.808	3.889	10	10		DHCERM
O=C(Cc1cccc2ccccc21)c1cc(O)c([O-])c([N+](=O)[O-])c1	ZINC000027755705	182490044	/nfs/dbraw/zinc/49/00/44/182490044.db2.gz	BIDJYWKATHEJFF-UHFFFAOYSA-N	-1	0	323.304	3.585	10	10		DHCERM
O=c1c(O)ccc2oc3ccc(Cc4ccccc4)cc3c([O-])c1-2	ZINC000013493126	181856000	/nfs/dbraw/zinc/85/60/00/181856000.db2.gz	IZPBVSQWSQZLOP-UHFFFAOYSA-N	-1	0	318.328	3.948	10	10		DHCERM
CN(C)c1ccc(CNc2cc(C(=O)[O-])ccc2Cl)cc1	ZINC000020879404	182251569	/nfs/dbraw/zinc/25/15/69/182251569.db2.gz	MXRDSNNMLOQJJI-UHFFFAOYSA-N	-1	0	304.777	3.716	10	10		DHCERM
O=C([O-])c1cc(-c2ccccc2)sc1NC(=O)c1ccncc1	ZINC000020335099	182209307	/nfs/dbraw/zinc/20/93/07/182209307.db2.gz	BVWAQSOVPSLPQI-UHFFFAOYSA-N	-1	0	324.361	3.761	10	10		DHCERM
Cc1cnn([C@@H]2CCC[N@H+](Cc3c([O-])ccc(Cl)c3F)C2)c1	ZINC000191344002	337296169	/nfs/dbraw/zinc/29/61/69/337296169.db2.gz	GDBKFKFCPKSLQW-GFCCVEGCSA-N	-1	0	323.799	3.527	10	10		DHCERM
CC(C)c1nc([C@@H]2CCCN2Cc2cccc(Cl)c2[O-])no1	ZINC000179967930	519867226	/nfs/dbraw/zinc/86/72/26/519867226.db2.gz	LHDMGHRSMUUKEE-ZDUSSCGKSA-N	-1	0	321.808	3.889	10	10		DHCERM
Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1Cc1cccc(Cl)c1[O-]	ZINC000180136406	337172481	/nfs/dbraw/zinc/17/24/81/337172481.db2.gz	DMMZDAKWTINOHC-HNNXBMFYSA-N	-1	0	319.836	3.733	10	10		DHCERM
COC(=O)c1sc2c(cnc3cc(Cl)c(C)cc23)c1[O-]	ZINC000072237422	191080298	/nfs/dbraw/zinc/08/02/98/191080298.db2.gz	ATHRWVDEVPEMDX-UHFFFAOYSA-N	-1	0	307.758	3.904	10	10		DHCERM
Cn1c2ccccc2c([O-])c(N=Nc2cccc([N+](=O)[O-])c2)c1=O	ZINC000106409963	194209964	/nfs/dbraw/zinc/20/99/64/194209964.db2.gz	XXSLVBDPACXUDO-ISLYRVAYSA-N	-1	0	324.296	3.568	10	10		DHCERM