smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)=CCc1c2c(c(O)c3c(=O)c4ccc(O)c(O)c4oc13)C=CC(C)(C)O2	ZINC000014768876	291139948	/nfs/dbraw/zinc/13/99/48/291139948.db2.gz	UXGOBHOKJVVTDU-UHFFFAOYSA-N	0	1	394.423	4.756	1	10	biogenic,in-vitro	GJCFMN
Nc1ccc(C2=NN[C@@H](c3cn(-c4ccccc4)nc3-c3ccc(F)cc3)C2)cc1	ZINC000073240397	222268869	/nfs/dbraw/zinc/26/88/69/222268869.db2.gz	BAAIPVMZKKJOQM-HSZRJFAPSA-N	0	1	397.457	4.699	1	10		GJCFMN
COc1cccc2c(-c3ccc4c(c3[O-])[C@@H](C)[NH2+][C@H](C)C4)c(O)cc(OC)c12	ZINC000095486317	291142048	/nfs/dbraw/zinc/14/20/48/291142048.db2.gz	YLKXTMUWAMSTTA-CHWSQXEVSA-N	0	1	379.456	4.530	1	10	biogenic,in-vitro	GJCFMN
c1csc(CN2CCN(c3ccc(-c4nc5ccccc5o4)cc3)CC2)c1	ZINC000095586099	136182378	/nfs/dbraw/zinc/18/23/78/136182378.db2.gz	LBIAJGFUKTWUOU-UHFFFAOYSA-N	0	1	375.497	4.879	1	10		GJCFMN
Cc1c(CN2CCN(C)CC2)cc(-c2ccc(F)cc2F)n1-c1ccc(F)cc1	ZINC000036472078	205017526	/nfs/dbraw/zinc/01/75/26/205017526.db2.gz	MZKAJYIDFRLFQT-UHFFFAOYSA-N	0	1	399.460	4.617	1	10		GJCFMN
COc1cc(C)c(-c2c(O)cc(O)c3c2C[C@H](C)[N@@H+](C)[C@@H]3C)c2cccc(O)c12	ZINC000095486164	291141593	/nfs/dbraw/zinc/14/15/93/291141593.db2.gz	OXCYAWQTEUVBOF-UONOGXRCSA-N	0	1	393.483	4.878	1	10	biogenic,in-vitro	GJCFMN
Cc1c(CN2CCN(C)CC2)cc(-c2ccc(F)cc2)n1-c1ccc(F)cc1F	ZINC000036472195	205017682	/nfs/dbraw/zinc/01/76/82/205017682.db2.gz	HEAOLCXKHKOCGX-UHFFFAOYSA-N	0	1	399.460	4.617	1	10		GJCFMN
CCN(CC)CCOc1cc2oc3c(c2cc1Cl)C(=O)c1ccccc1C3=O	ZINC000028713985	204879520	/nfs/dbraw/zinc/87/95/20/204879520.db2.gz	BCMADBQOTMOCHO-UHFFFAOYSA-N	0	1	397.858	4.582	1	10		GJCFMN
CS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3cc(F)ccc32)cc1	ZINC000005138678	204114455	/nfs/dbraw/zinc/11/44/55/204114455.db2.gz	UPVNFQXGEPTBQW-UHFFFAOYSA-N	0	1	381.432	4.642	1	10		GJCFMN
CC(C)=CCc1c(O)c2c(=O)c3cc(O)c(O)cc3oc2c2c1OC(C)(C)C=C2	ZINC000013411990	212117236	/nfs/dbraw/zinc/11/72/36/212117236.db2.gz	ZWHLXBWONQGJLD-UHFFFAOYSA-N	0	1	394.423	4.756	1	10		GJCFMN
CC1CC[NH+](Cc2cc(COCc3ccccc3)c3cccnc3c2[O-])CC1	ZINC000027570030	221655352	/nfs/dbraw/zinc/65/53/52/221655352.db2.gz	JCECKCZJIFVKHW-UHFFFAOYSA-N	0	1	376.500	4.889	1	10		GJCFMN
COc1cc(OC)c(-c2ccc3c(c2[O-])[C@@H](C)[NH2+][C@H](C)C3)c2cccc(O)c12	ZINC000095486322	291142050	/nfs/dbraw/zinc/14/20/50/291142050.db2.gz	KQDGUTUGQTWZAI-CHWSQXEVSA-N	0	1	379.456	4.530	1	10	biogenic,in-vitro	GJCFMN
CC(C)=CCc1c(O)c(O)cc2c(=O)c3c(O)c4c(cc3oc21)O[C@@H](C)C4(C)C	ZINC000013412048	212116226	/nfs/dbraw/zinc/11/62/26/212116226.db2.gz	ZYJVDWWKUSJAQY-NSHDSACASA-N	0	1	396.439	4.630	1	10	in-vivo	GJCFMN
CC(C)=CCCC(C)=CCCC(C)=CCSC[C@H](NC(C)=O)C([O-])=C[N+]#N	ZINC000027632733	207328777	/nfs/dbraw/zinc/32/87/77/207328777.db2.gz	ZDCOXJRYDUMNAM-QHHPALHRSA-N	0	1	391.581	4.513	1	10		GJCFMN
CC(C)=CCc1cc2c(=O)c3c(O)c4c(cc3oc2c(O)c1O)OC(C)(C)C=C4	ZINC000014679153	221314279	/nfs/dbraw/zinc/31/42/79/221314279.db2.gz	FKBCRWZDPJSICF-UHFFFAOYSA-N	0	1	394.423	4.756	1	10		GJCFMN
CC(C)=CCc1c(O)c(O)cc2c(=O)c3c(O)c4c(cc3oc21)OC(C)(C)C=C4	ZINC000013382721	291139921	/nfs/dbraw/zinc/13/99/21/291139921.db2.gz	PCBFLCFTJOTIAP-UHFFFAOYSA-N	0	1	394.423	4.756	1	10	biogenic,in-vitro	GJCFMN