smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=CCNC(=S)SC[C@@H](NC(C)=O)C(=O)[O-]	ZINC000038171598	174136063	/nfs/dbraw/zinc/13/60/63/174136063.db2.gz	DJFUZUUKZXAXBZ-SSDOTTSWSA-N	-1	1	262.356	0.369	1	30	in-man	CCEFMM
Cc1cc(=O)[n-]c(NC(N)=NOCc2ccccc2)n1	ZINC000045168286	175319639	/nfs/dbraw/zinc/31/96/39/175319639.db2.gz	PQCXKCCOXRALMY-UHFFFAOYSA-N	-1	1	273.296	0.746	1	30		CCEFMM
Cn1c(NN)nc(-c2cccc(O)c2[O-])c(C#N)c1=O	ZINC000072184026	176335287	/nfs/dbraw/zinc/33/52/87/176335287.db2.gz	WHRLCXKKZZWFHW-UHFFFAOYSA-N	-1	1	273.252	0.016	1	30		CCEFMM
CC(=O)N(O)CC[C@@H](c1ccncc1)[P@](=O)([O-])O	ZINC000095584105	185012694	/nfs/dbraw/zinc/01/26/94/185012694.db2.gz	AMWIPWYKSYZXGB-JTQLQIEISA-N	-1	1	274.213	0.928	1	30	in-vitro	CCEFMM
CC(=O)N(O)CC[C@H](c1ccncc1)[P@](=O)([O-])O	ZINC000095584106	185011862	/nfs/dbraw/zinc/01/18/62/185011862.db2.gz	AMWIPWYKSYZXGB-SNVBAGLBSA-N	-1	1	274.213	0.928	1	30	in-vitro	CCEFMM
CN1C(=O)[N-]C(=O)[C@](C)([C@]23CCCC[C@H]2O3)C1=O	ZINC000256009345	190001721	/nfs/dbraw/zinc/00/17/21/190001721.db2.gz	WOWLNDOPAUTOTH-MKCWBWRRSA-N	-1	1	252.270	0.413	1	30	endogenous,world	CCEFMM
C[C@@H](O)c1cc(O)c2c(c1O)C(=O)C=C([O-])C2=O	ZINC000014811194	170646107	/nfs/dbraw/zinc/64/61/07/170646107.db2.gz	VUTUVPMDTMEVJA-SCSAIBSYSA-N	-1	1	250.206	0.972	1	30		CCEFMM
Cc1ccc([C@@H](OCC(=O)NO)[P@](=O)([O-])O)cc1	ZINC000095552558	185008749	/nfs/dbraw/zinc/00/87/49/185008749.db2.gz	MHACMGKSNPRZGQ-JTQLQIEISA-N	-1	1	275.197	0.693	1	30		CCEFMM
CO/N=C(/C(=O)NC[P@](=O)([O-])O)c1cccs1	ZINC000038601555	174149278	/nfs/dbraw/zinc/14/92/78/174149278.db2.gz	HQIBKNLWHUXEHS-JXMROGBWSA-N	-1	1	278.226	0.350	1	30		CCEFMM
CN(O)C(=O)CO[C@@H](c1ccc(F)cc1)[P@](=O)([O-])O	ZINC000095552879	185008298	/nfs/dbraw/zinc/00/82/98/185008298.db2.gz	SWCPEEGLVGKZLQ-SNVBAGLBSA-N	-1	1	293.187	0.866	1	30		CCEFMM
CC(=O)N(O)CC[C@H](c1cccnc1)[P@](=O)([O-])O	ZINC000095583560	185012798	/nfs/dbraw/zinc/01/27/98/185012798.db2.gz	WKCQIDHYRKCIEN-SNVBAGLBSA-N	-1	1	274.213	0.928	1	30		CCEFMM
O=C(CO[C@H](c1ccc(F)cc1F)[P@](=O)([O-])O)NO	ZINC000095555072	185008151	/nfs/dbraw/zinc/00/81/51/185008151.db2.gz	WNCSNVYRBSIXFR-VIFPVBQESA-N	-1	1	297.150	0.663	1	30		CCEFMM
C=CCNC(=S)SC[C@H](NC(C)=O)C(=O)[O-]	ZINC000038171597	174136057	/nfs/dbraw/zinc/13/60/57/174136057.db2.gz	DJFUZUUKZXAXBZ-ZETCQYMHSA-N	-1	1	262.356	0.369	1	30	in-man	CCEFMM
N#Cc1ccc(C=CC(=O)NN2CC(=O)[N-]C2=O)cc1	ZINC000039199385	174165612	/nfs/dbraw/zinc/16/56/12/174165612.db2.gz	GUCDCGQBQZNQBQ-AATRIKPKSA-N	-1	1	270.248	0.154	1	30		CCEFMM
O=C(CO[C@@H](c1ccc(F)cc1F)[P@](=O)([O-])O)NO	ZINC000095555073	185008208	/nfs/dbraw/zinc/00/82/08/185008208.db2.gz	WNCSNVYRBSIXFR-SECBINFHSA-N	-1	1	297.150	0.663	1	30		CCEFMM
Cc1ccc([C@H](OCC(=O)NO)[P@](=O)([O-])O)cc1	ZINC000095552559	185008671	/nfs/dbraw/zinc/00/86/71/185008671.db2.gz	MHACMGKSNPRZGQ-SNVBAGLBSA-N	-1	1	275.197	0.693	1	30		CCEFMM
O=C([O-])[C@H](CS)NC(=O)[C@@H]1Cc2ccccc2CN1	ZINC000045300318	175354835	/nfs/dbraw/zinc/35/48/35/175354835.db2.gz	BBDYNSFJGUCULU-QWRGUYRKSA-N	-1	1	280.349	0.200	1	30		CCEFMM
Nc1ccc(S(=O)(=O)[N-]C(=O)NCCS)cc1	ZINC000038990438	174161155	/nfs/dbraw/zinc/16/11/55/174161155.db2.gz	LHVDNDIAMJOEKH-UHFFFAOYSA-N	-1	1	275.355	0.391	1	30	in-vivo	CCEFMM
Nc1ccc(S(=O)(=O)N=C([O-])NCCS)cc1	ZINC000038990438	174161157	/nfs/dbraw/zinc/16/11/57/174161157.db2.gz	LHVDNDIAMJOEKH-UHFFFAOYSA-N	-1	1	275.355	0.391	1	30	in-vivo	CCEFMM
CN(O)C(=O)CO[C@H](c1ccc(F)cc1)[P@](=O)([O-])O	ZINC000095552880	185008496	/nfs/dbraw/zinc/00/84/96/185008496.db2.gz	SWCPEEGLVGKZLQ-JTQLQIEISA-N	-1	1	293.187	0.866	1	30		CCEFMM
CN(O)C(=O)CO[C@H](c1ccccc1)[P@](=O)([O-])O	ZINC000095554015	185008411	/nfs/dbraw/zinc/00/84/11/185008411.db2.gz	JAIZGFIPNLDIAR-JTQLQIEISA-N	-1	1	275.197	0.727	1	30		CCEFMM
CC(=O)N(O)CC[C@@H](c1cccnc1)[P@](=O)([O-])O	ZINC000095583559	185012702	/nfs/dbraw/zinc/01/27/02/185012702.db2.gz	WKCQIDHYRKCIEN-JTQLQIEISA-N	-1	1	274.213	0.928	1	30		CCEFMM
CN1C(=O)[N-]C(=O)[C@@](C)([C@@]23CCCC[C@@H]2O3)C1=O	ZINC000006067254	170173836	/nfs/dbraw/zinc/17/38/36/170173836.db2.gz	WOWLNDOPAUTOTH-UPZJHPNMSA-N	-1	1	252.270	0.413	1	30	endogenous,world	CCEFMM
CN1C(=O)[N-]C(=O)[C@](C)([C@@]23CCCC[C@@H]2O3)C1=O	ZINC000006032030	170169770	/nfs/dbraw/zinc/16/97/70/170169770.db2.gz	WOWLNDOPAUTOTH-CQFDHEJISA-N	-1	1	252.270	0.413	1	30	endogenous,world	CCEFMM
CC(C)CNc1nc(C#N)nc(NCc2nn[n-]n2)c1N	ZINC000040402260	174253114	/nfs/dbraw/zinc/25/31/14/174253114.db2.gz	XWXGGFKBQKUWIK-UHFFFAOYSA-N	-1	1	288.319	0.124	1	30		CCEFMM
CO/N=C(\C(=O)NC[P@](=O)([O-])O)c1cccs1	ZINC000072170210	176332672	/nfs/dbraw/zinc/33/26/72/176332672.db2.gz	HQIBKNLWHUXEHS-YFHOEESVSA-N	-1	1	278.226	0.350	1	30		CCEFMM
O=C1OC(Cc2ccccn2)=C([O-])C1=C1NCCCN1	ZINC000008685042	170345555	/nfs/dbraw/zinc/34/55/55/170345555.db2.gz	BJRRXJJBMZYQBZ-JTQLQIEISA-N	-1	1	273.292	0.753	1	30		CCEFMM
CN(O)C(=O)CO[C@@H](c1ccccc1)[P@](=O)([O-])O	ZINC000095554014	185008021	/nfs/dbraw/zinc/00/80/21/185008021.db2.gz	JAIZGFIPNLDIAR-SNVBAGLBSA-N	-1	1	275.197	0.727	1	30		CCEFMM