smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc(-c2ccc(CCCN(O)C(=O)C[P@](=O)([O-])O)cc2)cc1	ZINC000040973949	205086490	/nfs/dbraw/zinc/08/64/90/205086490.db2.gz	IEWQBBWGDSJTPP-UHFFFAOYSA-N	-1	1	363.350	2.990	1	30		FFEFMM
Cc1c([O-])cc2c(c1O)C(=O)C1=C(C2=O)C2=C[C@@](C)(O)CC[C@@H]2C(C)(C)O1	ZINC000014612219	560222945	/nfs/dbraw/zinc/22/29/45/560222945.db2.gz	IENVNCRRTRCLFH-QKVFXAPYSA-N	-1	1	370.401	2.936	1	30	in-vitro	FFEFMM
CC(=O)c1ccc(F)c([C@@H]2C[C@H]2NC(=O)Nc2ccc(C#N)cn2)c1[O-]	ZINC000005833555	204226546	/nfs/dbraw/zinc/22/65/46/204226546.db2.gz	MNZXPIGNPIOMFO-TZMCWYRMSA-N	-1	1	354.341	2.678	1	30		FFEFMM
O=C1c2c3cc(O)c(O)cc3oc2C([O-])=C(c2ccc(O)c(O)c2)C1=O	ZINC000015113643	571730756	/nfs/dbraw/zinc/73/07/56/571730756.db2.gz	YXRBIRYXOSYHBV-UHFFFAOYSA-N	-1	1	354.270	2.604	1	30	endogenous,in-man	FFEFMM
Cc1cc([O-])c2c(=O)c3c(cc-2o1)OC(C)(C)[C@H](OC(=O)[C@@]1(C)O[C@@H]1C)C3	ZINC000085643190	291064258	/nfs/dbraw/zinc/06/42/58/291064258.db2.gz	NZJXSCHXDLPZSC-RRHAMDBCSA-N	-1	1	374.389	2.610	1	30	biogenic,in-vitro	FFEFMM
Cc1cc(=O)c2c(cc3c(c2[O-])C[C@@H](OC(=O)[C@@]2(C)O[C@@H]2C)C(C)(C)O3)o1	ZINC000085643190	291064259	/nfs/dbraw/zinc/06/42/59/291064259.db2.gz	NZJXSCHXDLPZSC-RRHAMDBCSA-N	-1	1	374.389	2.610	1	30	biogenic,in-vitro	FFEFMM
CC(C)(O)[C@@H]1Cc2c(cc(O)c(C(=O)/C=C/c3ccc(O)cc3)c2[O-])O1	ZINC000013375438	291057200	/nfs/dbraw/zinc/05/72/00/291057200.db2.gz	CVUMBCAEYKOWBS-JZLODUJNSA-N	-1	1	356.374	2.774	1	30	biogenic,in-vitro	FFEFMM
N#Cc1c[n-]c(C(=O)Nc2ccc(CCC(N)=O)cc2C2=CCCCC2)n1	ZINC000103281337	222331812	/nfs/dbraw/zinc/33/18/12/222331812.db2.gz	VMGGYSQUCLDMQG-UHFFFAOYSA-N	-1	1	363.421	2.909	1	30		FFEFMM
N#Cc1c[n-]c(C(=O)Nc2ccc(Cc3nn[nH]n3)cc2C2=CCCCC2)n1	ZINC000103281354	222332664	/nfs/dbraw/zinc/33/26/64/222332664.db2.gz	CQSWZTZGMHRGQZ-UHFFFAOYSA-N	-1	1	374.408	2.595	1	30		FFEFMM
Cc1c([O-])cc2c(c1O)C(=O)C1=C(C2=O)C2=C[C@](C)(O)CC[C@@H]2C(C)(C)O1	ZINC000014612220	560222975	/nfs/dbraw/zinc/22/29/75/560222975.db2.gz	IENVNCRRTRCLFH-LAJNKCICSA-N	-1	1	370.401	2.936	1	30	in-vitro	FFEFMM
N#Cc1c[n-]c(C(=O)Nc2ccc(-c3nn[nH]n3)cc2C2=CCCCC2)n1	ZINC000103285591	222332325	/nfs/dbraw/zinc/33/23/25/222332325.db2.gz	FHWKQNIXAZKSEV-UHFFFAOYSA-N	-1	1	360.381	2.671	1	30		FFEFMM
CC(=O)CC(=O)c1[nH]c(C(=O)[O-])cc1[C@H]1CCN(Cc2ccccc2)C1=O	ZINC000103013728	222318689	/nfs/dbraw/zinc/31/86/89/222318689.db2.gz	ONIDGELYWNHKJL-FWLQQBITSA-N	-1	1	368.389	2.874	1	30		FFEFMM
C=C(C)[C@H]1C[C@]23C([O-])=C(C(=O)CC(C)C)C(=O)[C@@]2(O)C(=O)C[C@@H]3C1(C)C	ZINC000100900239	291056037	/nfs/dbraw/zinc/05/60/37/291056037.db2.gz	FZQFCXBBPNGZEI-QZHPCCELSA-N	-1	1	360.450	2.925	1	30	biogenic,in-vitro	FFEFMM
C=C(C)[C@H]1C[C@]23C(=O)C(=C([O-])CC(C)C)C(=O)[C@@]2(O)C(=O)C[C@@H]3C1(C)C	ZINC000100900239	291056038	/nfs/dbraw/zinc/05/60/38/291056038.db2.gz	FZQFCXBBPNGZEI-QZHPCCELSA-N	-1	1	360.450	2.925	1	30	biogenic,in-vitro	FFEFMM
CN(O)C(=O)CS[C@@H](c1ccc(Cl)c(Cl)c1)[P@](=O)([O-])O	ZINC000096284904	222110828	/nfs/dbraw/zinc/11/08/28/222110828.db2.gz	FCHGYCPRLYDAIK-JTQLQIEISA-N	-1	1	360.155	2.751	1	30		FFEFMM
O=C1C=C(N2CCCC2)C(=O)c2c([O-])c(Cl)c(N3CCCC3)c(O)c21	ZINC000001638148	204015558	/nfs/dbraw/zinc/01/55/58/204015558.db2.gz	VDGWKBSOUOPFKF-UHFFFAOYSA-N	-1	1	362.813	2.710	1	30		FFEFMM
CC(=O)c1ccc(F)c([C@H]2C[C@H]2NC(=O)Nc2ccc(C#N)cn2)c1[O-]	ZINC000005833584	204226960	/nfs/dbraw/zinc/22/69/60/204226960.db2.gz	MNZXPIGNPIOMFO-GXTWGEPZSA-N	-1	1	354.341	2.678	1	30		FFEFMM
Cc1cc([O-])c2c(=O)c3c(cc-2o1)OC(C)(C)[C@H](OC(=O)[C@]1(C)O[C@@H]1C)C3	ZINC000085643193	291064265	/nfs/dbraw/zinc/06/42/65/291064265.db2.gz	NZJXSCHXDLPZSC-CVVUJQAVSA-N	-1	1	374.389	2.610	1	30	biogenic,in-vitro	FFEFMM
Cc1cc(=O)c2c(cc3c(c2[O-])C[C@@H](OC(=O)[C@]2(C)O[C@@H]2C)C(C)(C)O3)o1	ZINC000085643193	291064266	/nfs/dbraw/zinc/06/42/66/291064266.db2.gz	NZJXSCHXDLPZSC-CVVUJQAVSA-N	-1	1	374.389	2.610	1	30	biogenic,in-vitro	FFEFMM
COc1ccc(-n2cnc(C#N)c2/N=C/c2ccc(O)c([O-])c2O)cc1	ZINC000169350311	206253930	/nfs/dbraw/zinc/25/39/30/206253930.db2.gz	VHVKZCWXHMPOEI-AWQFTUOYSA-N	-1	1	350.334	2.620	1	30		FFEFMM
CC(=O)CC(=O)c1[nH]c(C(=O)[O-])cc1[C@@H]1CCN(Cc2ccccc2)C1=O	ZINC000103013725	222317660	/nfs/dbraw/zinc/31/76/60/222317660.db2.gz	ONIDGELYWNHKJL-UQTJOTSZSA-N	-1	1	368.389	2.874	1	30		FFEFMM
O=C(NO)[C@@H](CCCc1cccc(Oc2ccccc2)c1)[P@](=O)([O-])O	ZINC000040974309	208279278	/nfs/dbraw/zinc/27/92/78/208279278.db2.gz	HGDWHTASNMRJMP-MRXNPFEDSA-N	-1	1	365.322	2.853	1	30	in-vitro	FFEFMM
CC(=O)c1ccc(F)c([C@H]2C[C@@H]2NC(=O)Nc2ccc(C#N)cn2)c1[O-]	ZINC000005833564	207119033	/nfs/dbraw/zinc/11/90/33/207119033.db2.gz	MNZXPIGNPIOMFO-JSGCOSHPSA-N	-1	1	354.341	2.678	1	30		FFEFMM
CC(C)C1=C([O-])C(=O)[C@@]23O[C@@]2(C(=O)C(=O)C2C(C)(C)CCC[C@@]23C)C1=O	ZINC000042876735	208296962	/nfs/dbraw/zinc/29/69/62/208296962.db2.gz	AEXKDWVVGVHVQM-ZCNNSNEGSA-N	-1	1	360.406	2.725	1	30	biogenic,in-vitro	FFEFMM
O=C(/C=C/c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1)NO	ZINC000038443210	208201097	/nfs/dbraw/zinc/20/10/97/208201097.db2.gz	LLXLAAHCAZIAKN-RUDMXATFSA-N	-1	1	352.799	2.659	1	30		FFEFMM
N#Cc1ncc2nc1OC/C=C/COc1cc([O-])c(Cl)cc1NC(=O)N2	ZINC000169363762	222566261	/nfs/dbraw/zinc/56/62/61/222566261.db2.gz	DONZNBORCKZUAE-OWOJBTEDSA-N	-1	1	373.756	2.679	1	30		FFEFMM
O=C1C=C(NCCc2cc(Cl)c([O-])c(Cl)c2)C(=O)c2nc[nH]c21	ZINC000001856835	210373038	/nfs/dbraw/zinc/37/30/38/210373038.db2.gz	UQTPOMIIMHFKQA-UHFFFAOYSA-N	-1	1	352.177	2.517	1	30		FFEFMM
CC1(C)Oc2cc(O)c(C(=O)/C=C/c3ccc(O)cc3)c([O-])c2C[C@H]1O	ZINC000014557870	291057835	/nfs/dbraw/zinc/05/78/35/291057835.db2.gz	SVMUHLDNXDJLEN-ZGRWHYIRSA-N	-1	1	356.374	2.774	1	30	biogenic,in-vitro	FFEFMM