smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCCCCC[C@H](CCC)OCCCC[P@](=O)([O-])O	ZINC001225018566	1052743860	/nfs/dbraw/zinc/74/38/60/1052743860.db2.gz	AUMVADKGCULVMU-HNNXBMFYSA-N	-2	1	308.399	4.490	20	30		DIEDML
[O-]/N=C/c1ccc(F)c(-c2cc(Cl)c([O-])c(Cl)c2)c1	ZINC001242853160	1057499756	/nfs/dbraw/zinc/49/97/56/1057499756.db2.gz	NFRXHMUEJDBYQX-UBKPWBPPSA-N	-2	1	300.116	4.313	20	30		DIEDML
Cc1ccc(C(=O)[O-])cc1-c1cc(/C=N/[O-])cc(C(F)(F)F)c1	ZINC001241003278	1056806170	/nfs/dbraw/zinc/80/61/70/1056806170.db2.gz	WZDDIEXSIFVWAI-DNTJNYDQSA-N	-2	1	323.270	4.187	20	30		DIEDML
O=C(/C=C\c1ccc([O-])c(Cl)c1)c1ccc([O-])c(Cl)c1	ZINC000768753579	1051961386	/nfs/dbraw/zinc/96/13/86/1051961386.db2.gz	YQHYALMYTAHFOL-RJRFIUFISA-N	-2	1	309.148	4.301	20	30		DIEDML
CCCCCCC[C@@H](CCC)OCCCC[P@](=O)([O-])O	ZINC001225018567	1052743763	/nfs/dbraw/zinc/74/37/63/1052743763.db2.gz	AUMVADKGCULVMU-OAHLLOKOSA-N	-2	1	308.399	4.490	20	30		DIEDML
O=C1c2ccc([O-])cc2C/C1=C\c1cc(Cl)c([O-])cc1Cl	ZINC000780188664	1046375348	/nfs/dbraw/zinc/37/53/48/1046375348.db2.gz	UGZGFVXVZVZRGP-ONNFQVAWSA-N	-2	1	321.159	4.227	20	30		DIEDML
Cc1ccc(-c2cc(/C=N/[O-])cc(C(F)(F)F)c2)cc1C(=O)[O-]	ZINC001243194328	1057599502	/nfs/dbraw/zinc/59/95/02/1057599502.db2.gz	GARVGWCNYKTSEX-DNTJNYDQSA-N	-2	1	323.270	4.187	20	30		DIEDML
O=C(/C=C/c1ccc([O-])c(Cl)c1)c1ccc([O-])c(Cl)c1	ZINC000768753575	1051962359	/nfs/dbraw/zinc/96/23/59/1051962359.db2.gz	YQHYALMYTAHFOL-DAFODLJHSA-N	-2	1	309.148	4.301	20	30		DIEDML
O=C1c2ccc([O-])cc2C/C1=C/c1cc(Cl)c([O-])cc1Cl	ZINC000780188665	1046374796	/nfs/dbraw/zinc/37/47/96/1046374796.db2.gz	UGZGFVXVZVZRGP-WMZJFQQLSA-N	-2	1	321.159	4.227	20	30		DIEDML
[O-]/N=C1/CCc2cc(-c3cc(Cl)c([O-])c(Cl)c3)ccc21	ZINC001242852803	1057499227	/nfs/dbraw/zinc/49/92/27/1057499227.db2.gz	CQAQVJMBSYIINV-JXAWBTAJSA-N	-2	1	308.164	4.491	20	30		DIEDML
O=C([O-])c1cc(-c2cccc(/C=N/[O-])c2)c(Cl)cc1Cl	ZINC001245005592	1041696842	/nfs/dbraw/zinc/69/68/42/1041696842.db2.gz	YDJDZFMRQHUHDB-REZTVBANSA-N	-2	1	310.136	4.167	20	30		DIEDML
[O-]/N=C/c1cc(-c2ccc([O-])c(F)c2F)cc(C(F)(F)F)c1	ZINC001243341608	1057653142	/nfs/dbraw/zinc/65/31/42/1057653142.db2.gz	VQBOICSHUWWLQT-CGOBSMCZSA-N	-2	1	317.213	4.164	20	30		DIEDML
Cc1c(C(=O)[O-])cccc1-c1cc(/C=N/[O-])cc(C(F)(F)F)c1	ZINC001245298893	1058142773	/nfs/dbraw/zinc/14/27/73/1058142773.db2.gz	DCLUZGHUXCKMRR-DNTJNYDQSA-N	-2	1	323.270	4.187	20	30		DIEDML
[O-]/N=C/c1cc(-c2cc(F)c([O-])cc2F)cc(C(F)(F)F)c1	ZINC001211360722	1050557032	/nfs/dbraw/zinc/55/70/32/1050557032.db2.gz	VQCDSQKCOKLOAA-CGOBSMCZSA-N	-2	1	317.213	4.164	20	30		DIEDML
Cc1cc(C(=O)[O-])ccc1-c1cc(/C=N/[O-])cc(C(F)(F)F)c1	ZINC001243205013	1057604620	/nfs/dbraw/zinc/60/46/20/1057604620.db2.gz	DBONDCJVKYDZDD-DNTJNYDQSA-N	-2	1	323.270	4.187	20	30		DIEDML
Cc1cc(-c2cc(/C=N/[O-])cc(C(F)(F)F)c2)ccc1C(=O)[O-]	ZINC001243215207	1057607731	/nfs/dbraw/zinc/60/77/31/1057607731.db2.gz	OGVAERCAWIONRL-DNTJNYDQSA-N	-2	1	323.270	4.187	20	30		DIEDML
CCCCCCCCC[C@H](C)OCCCC[P@](=O)([O-])O	ZINC001225018643	1052744164	/nfs/dbraw/zinc/74/41/64/1052744164.db2.gz	DJOSPHOAGWLTEM-HNNXBMFYSA-N	-2	1	308.399	4.490	20	30		DIEDML
CCCCCCCCC[C@@H](C)OCCCC[P@](=O)([O-])O	ZINC001225018644	1052743787	/nfs/dbraw/zinc/74/37/87/1052743787.db2.gz	DJOSPHOAGWLTEM-OAHLLOKOSA-N	-2	1	308.399	4.490	20	30		DIEDML
[O-]/N=C/c1cc(-c2cc(F)c([O-])c(F)c2)cc(C(F)(F)F)c1	ZINC001244096310	1057867755	/nfs/dbraw/zinc/86/77/55/1057867755.db2.gz	HNGJUHBAJCQKGL-CGOBSMCZSA-N	-2	1	317.213	4.164	20	30		DIEDML
O=C([O-])c1cc(Cl)c(-c2cccc(/C=N/[O-])c2)c(Cl)c1	ZINC001244517853	1057983738	/nfs/dbraw/zinc/98/37/38/1057983738.db2.gz	HBAHIFOJTRSVGH-REZTVBANSA-N	-2	1	310.136	4.167	20	30		DIEDML