smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=C[C@@H](CCCCCCCC(=O)[O-])S(=O)(=O)[O-]	ZINC000001760699	361222399	/nfs/dbraw/zinc/22/23/99/361222399.db2.gz	WKWHGRUZMYTLDX-JTQLQIEISA-N	-2	0	264.343	2.244	40	30		CEEBRL
CCCCCCCC[C@H](C(=O)[O-])[C@@H](O)CC(=O)[O-]	ZINC000038143773	361985617	/nfs/dbraw/zinc/98/56/17/361985617.db2.gz	ROYIOVVKJBERGN-QWRGUYRKSA-N	-2	0	260.330	2.273	40	30	biogenic,in-vitro	CEEBRL
N#CC(CCC(=O)[O-])(CCC(=O)[O-])c1ccccc1	ZINC000001714071	303138178	/nfs/dbraw/zinc/13/81/78/303138178.db2.gz	GGMMIMNCDHPFQT-UHFFFAOYSA-N	-2	0	261.277	2.178	40	30		CEEBRL
CCCCCCCC[C@@H](C(=O)[O-])[C@@H](O)CC(=O)[O-]	ZINC000038143774	361985531	/nfs/dbraw/zinc/98/55/31/361985531.db2.gz	ROYIOVVKJBERGN-MNOVXSKESA-N	-2	0	260.330	2.273	40	30	biogenic,in-vitro	CEEBRL
CCCCCCCCCC(=O)N[C@@H](CC(=O)[O-])C(=O)[O-]	ZINC000102998194	185802600	/nfs/dbraw/zinc/80/26/00/185802600.db2.gz	WSJCTRAECJWNOS-NSHDSACASA-N	-2	0	287.356	2.171	40	30		CEEBRL
O=S(=O)([O-])c1ccc(O)c(/C=N/c2ccccc2)c1	ZINC000002165028	361229245	/nfs/dbraw/zinc/22/92/45/361229245.db2.gz	RRAFKHOGALZCAC-NTEUORMPSA-N	-2	0	277.301	2.390	40	30		CEEBRL
O=C([O-])c1cc(C(=O)[O-])cc(-c2ccc(/C=N\O)o2)c1	ZINC000409005572	375518332	/nfs/dbraw/zinc/51/83/32/375518332.db2.gz	FHTAKYAYJYGOPF-NSIKDUERSA-N	-2	0	275.216	2.151	40	30		CEEBRL
CC(CCC(=O)[O-])N=Nc1ccc(C(=O)[O-])cc1	ZINC000004683335	169998067	/nfs/dbraw/zinc/99/80/67/169998067.db2.gz	XIOOXVJWYYRFAM-JYRVWZFOSA-N	-2	0	250.254	2.037	40	30		CEEBRL
O=C([O-])COc1ccc(C(=O)/C=C/c2cccnc2)c([O-])c1	ZINC000005390839	527617344	/nfs/dbraw/zinc/61/73/44/527617344.db2.gz	PBXOEHNHTOECAM-ZZXKWVIFSA-N	-2	0	299.282	2.147	40	30		CEEBRL
O=C([O-])[C@@H](CCCCNC(=S)[S-])NC(=S)[S-]	ZINC000005828605	304093697	/nfs/dbraw/zinc/09/36/97/304093697.db2.gz	HBGGTXRYQJIYDU-RXMQYKEDSA-N	-3	0	298.480	2.041	40	30		CEEBRL
C=C[C@H](CCCCCCCC(=O)[O-])S(=O)(=O)[O-]	ZINC000005853129	170147530	/nfs/dbraw/zinc/14/75/30/170147530.db2.gz	WKWHGRUZMYTLDX-SNVBAGLBSA-N	-2	0	264.343	2.244	40	30		CEEBRL
CCCCCCCCCC(=O)N[C@H](CC(=O)[O-])C(=O)[O-]	ZINC000102998196	364622622	/nfs/dbraw/zinc/62/26/22/364622622.db2.gz	WSJCTRAECJWNOS-LLVKDONJSA-N	-2	0	287.356	2.171	40	30		CEEBRL
CC(CCC(=O)[O-])N=Nc1ccc(C(=O)[O-])cc1	ZINC000016968848	361499319	/nfs/dbraw/zinc/49/93/19/361499319.db2.gz	XIOOXVJWYYRFAM-MDWZMJQESA-N	-2	0	250.254	2.037	40	30		CEEBRL
Cc1cc(C#N)c(C)n1-c1cc(C(=O)[O-])ccc1C(=O)[O-]	ZINC000223717009	301072933	/nfs/dbraw/zinc/07/29/33/301072933.db2.gz	ZTGGDVRYRYFGAF-UHFFFAOYSA-N	-2	0	284.271	2.362	40	30		CEEBRL
CCCCCCCC[C@H](C(=O)[O-])[C@H](O)CC(=O)[O-]	ZINC000038143771	361985442	/nfs/dbraw/zinc/98/54/42/361985442.db2.gz	ROYIOVVKJBERGN-WDEREUQCSA-N	-2	0	260.330	2.273	40	30	biogenic,in-vitro	CEEBRL
O=C([O-])[C@H](CCCCNC(=S)[S-])NC(=S)[S-]	ZINC000005828601	304170710	/nfs/dbraw/zinc/17/07/10/304170710.db2.gz	HBGGTXRYQJIYDU-YFKPBYRVSA-N	-3	0	298.480	2.041	40	30		CEEBRL
C=CCC(CC=C)(COCCOC(=O)[O-])OC(=O)[O-]	ZINC000035052444	343421385	/nfs/dbraw/zinc/42/13/85/343421385.db2.gz	ZPFFATQQUJQRBK-UHFFFAOYSA-N	-2	0	274.269	2.283	40	30		CEEBRL
Cc1cc(C#N)c(C)n1-c1cc(C(=O)[O-])cc(C(=O)[O-])c1	ZINC000223717090	301072966	/nfs/dbraw/zinc/07/29/66/301072966.db2.gz	SMPLQYDGZNBUEA-UHFFFAOYSA-N	-2	0	284.271	2.362	40	30		CEEBRL
CCCCCCCC[C@@H](C(=O)[O-])[C@H](O)CC(=O)[O-]	ZINC000038143772	282653078	/nfs/dbraw/zinc/65/30/78/282653078.db2.gz	ROYIOVVKJBERGN-GHMZBOCLSA-N	-2	0	260.330	2.273	40	30	biogenic,in-vitro	CEEBRL