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](C)Oc1ccc(O[P@@](=O)([O-])O)cc1	ZINC001234331069	1054502301	/nfs/dbraw/zinc/50/23/01/1054502301.db2.gz	BJAYRKYQHZPMTR-ZDUSSCGKSA-N	-1	2	316.334	4.286	20	30		DIEDLM
CCCCCCC[C@H](C)Oc1ccc(O[P@](=O)([O-])O)cc1	ZINC001234331069	1054502315	/nfs/dbraw/zinc/50/23/15/1054502315.db2.gz	BJAYRKYQHZPMTR-ZDUSSCGKSA-N	-1	2	316.334	4.286	20	30		DIEDLM
Cc1c2cc(F)ccc2sc1C(=O)C(C#N)c1ccccn1	ZINC000066507118	1040875589	/nfs/dbraw/zinc/87/55/89/1040875589.db2.gz	VQIQNGLPVWPJBP-CYBMUJFWSA-N	-1	2	310.353	4.234	20	30		DIEDLM
N#CCC[N@H+](Cc1cc(F)c(O)c(F)c1)C1CCCCCCC1	ZINC001140990342	1046970672	/nfs/dbraw/zinc/97/06/72/1046970672.db2.gz	UQQMQGFXXDYUHU-UHFFFAOYSA-N	-1	2	322.399	4.499	20	30		DIEDLM
C=CC[N@@H+](Cc1ccccc1)Cc1cc(F)cc(Cl)c1O	ZINC001237807259	1055533384	/nfs/dbraw/zinc/53/33/84/1055533384.db2.gz	ZTHRCEKEFFIGAH-UHFFFAOYSA-N	-1	2	305.780	4.373	20	30		DIEDLM
CC[N@@H+](Cc1c(F)ccc(O)c1F)[C@H](C)c1ccc(C#N)cc1	ZINC000507333394	340217508	/nfs/dbraw/zinc/21/75/08/340217508.db2.gz	LWZOKVKDHOCHJX-GFCCVEGCSA-N	-1	2	316.351	4.125	20	30		DIEDLM
N#CCC[N@H+](Cc1cc(Cl)ncc1O)C1CCCCCCC1	ZINC001233036397	1054173866	/nfs/dbraw/zinc/17/38/66/1054173866.db2.gz	PLNVFZJKYBGMEX-UHFFFAOYSA-N	-1	2	321.852	4.269	20	30		DIEDLM
C=C[C@H](CCCCCC)Oc1ccc(O[P@@](=O)([O-])O)cc1	ZINC001234333776	1054503588	/nfs/dbraw/zinc/50/35/88/1054503588.db2.gz	ZCPINWYETAZGDO-CYBMUJFWSA-N	-1	2	314.318	4.062	20	30		DIEDLM
C=C[C@H](CCCCCC)Oc1ccc(O[P@](=O)([O-])O)cc1	ZINC001234333776	1054503603	/nfs/dbraw/zinc/50/36/03/1054503603.db2.gz	ZCPINWYETAZGDO-CYBMUJFWSA-N	-1	2	314.318	4.062	20	30		DIEDLM
Oc1ccc(C=NN=c2[nH]c3ccccc3s2)cc1Cl	ZINC000921253114	1052966218	/nfs/dbraw/zinc/96/62/18/1052966218.db2.gz	JACOVFJVAOIOEA-UHFFFAOYSA-N	-1	2	303.774	4.101	20	30		DIEDLM
C=CC[N@H+](Cc1ccccc1)Cc1cc(F)c(O)c(Cl)c1	ZINC001237997592	1055575605	/nfs/dbraw/zinc/57/56/05/1055575605.db2.gz	MMWHKTISFMUKEQ-UHFFFAOYSA-N	-1	2	305.780	4.373	20	30		DIEDLM
Cc1c2cc(F)ccc2sc1C(=O)C(C#N)c1ccccn1	ZINC000066507116	1040876855	/nfs/dbraw/zinc/87/68/55/1040876855.db2.gz	VQIQNGLPVWPJBP-ZDUSSCGKSA-N	-1	2	310.353	4.234	20	30		DIEDLM
Cc1cccc2nc([C@@H](C#N)C(=O)c3cc4ccccc4o3)[nH]c21	ZINC000345410934	335324091	/nfs/dbraw/zinc/32/40/91/335324091.db2.gz	NYERYCBXZPHYHD-ZDUSSCGKSA-N	-1	2	315.332	4.108	20	30		DIEDLM
CCCCCCC[C@@H](C)Oc1ccc(O[P@@](=O)([O-])O)cc1	ZINC001234331066	1054503220	/nfs/dbraw/zinc/50/32/20/1054503220.db2.gz	BJAYRKYQHZPMTR-CYBMUJFWSA-N	-1	2	316.334	4.286	20	30		DIEDLM
CCCCCCC[C@@H](C)Oc1ccc(O[P@](=O)([O-])O)cc1	ZINC001234331066	1054503233	/nfs/dbraw/zinc/50/32/33/1054503233.db2.gz	BJAYRKYQHZPMTR-CYBMUJFWSA-N	-1	2	316.334	4.286	20	30		DIEDLM
C=CCc1cccc(C(C)C)c1NC(=O)c1ccc2[nH]nnc2c1	ZINC000188063828	337270296	/nfs/dbraw/zinc/27/02/96/337270296.db2.gz	BXOVRYLLASRSIP-UHFFFAOYSA-N	-1	2	320.396	4.062	20	30		DIEDLM
C=CCC[N@@H+](Cc1ccccc1)Cc1c(F)ccc(O)c1F	ZINC001233395633	1054260031	/nfs/dbraw/zinc/26/00/31/1054260031.db2.gz	GWIJORXXRQQCNW-UHFFFAOYSA-N	-1	2	303.352	4.249	20	30		DIEDLM
Cc1cccc2nc([C@H](C#N)C(=O)c3cc4ccccc4o3)[nH]c21	ZINC000345410930	335324000	/nfs/dbraw/zinc/32/40/00/335324000.db2.gz	NYERYCBXZPHYHD-CYBMUJFWSA-N	-1	2	315.332	4.108	20	30		DIEDLM
C=C[C@@H](CCCCCC)Oc1ccc(O[P@@](=O)([O-])O)cc1	ZINC001234333777	1054503038	/nfs/dbraw/zinc/50/30/38/1054503038.db2.gz	ZCPINWYETAZGDO-ZDUSSCGKSA-N	-1	2	314.318	4.062	20	30		DIEDLM
C=C[C@@H](CCCCCC)Oc1ccc(O[P@](=O)([O-])O)cc1	ZINC001234333777	1054503051	/nfs/dbraw/zinc/50/30/51/1054503051.db2.gz	ZCPINWYETAZGDO-ZDUSSCGKSA-N	-1	2	314.318	4.062	20	30		DIEDLM
CC(C)(Nc1cc([S-])cc(S)c1)c1ccc(C#N)cc1	ZINC001165759955	1048714416	/nfs/dbraw/zinc/71/44/16/1048714416.db2.gz	HBLRUUJNZGVFAH-UHFFFAOYSA-N	-1	2	300.452	4.483	20	30		DIEDLM
CC(C)(C)c1noc(Nc2c(Cl)ccc([O-])c2F)c1C#N	ZINC001214555917	1050939980	/nfs/dbraw/zinc/93/99/80/1050939980.db2.gz	AMUYNGOVXFGKCG-UHFFFAOYSA-N	-1	2	309.728	4.085	20	30		DIEDLM
CC[N@@H+](Cc1c(F)ccc(O)c1F)[C@@H](C)c1ccc(C#N)cc1	ZINC000507333395	340217384	/nfs/dbraw/zinc/21/73/84/340217384.db2.gz	LWZOKVKDHOCHJX-LBPRGKRZSA-N	-1	2	316.351	4.125	20	30		DIEDLM
C=CCC[N@@H+](Cc1ccccc1)Cc1ccc(F)c(O)c1F	ZINC001232934475	1054149273	/nfs/dbraw/zinc/14/92/73/1054149273.db2.gz	GMOUCQBRNCXUFF-UHFFFAOYSA-N	-1	2	303.352	4.249	20	30		DIEDLM