smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(C=NNc2nnc(SCc3c(C)cc(C)cc3C)[nH]2)cc1OC	ZINC000006255207	557696565	/nfs/dbraw/zinc/69/65/65/557696565.db2.gz	SNUOXAUASJZAMY-SSDVNMTOSA-N	0	2	411.531	4.485	10	30		HIEELN
COc1ccc(C=[NH+]Nc2nnc(SCc3c(C)cc(C)cc3C)[n-]2)cc1OC	ZINC000006255207	557696568	/nfs/dbraw/zinc/69/65/68/557696568.db2.gz	SNUOXAUASJZAMY-SSDVNMTOSA-N	0	2	411.531	4.485	10	30		HIEELN
C=CCOc1ccc(C=C2C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1OC	ZINC000033395027	519015184	/nfs/dbraw/zinc/01/51/84/519015184.db2.gz	BTYMICVOIFACAE-WJDWOHSUSA-N	0	2	412.829	4.420	10	30		HIEELN
C=CCOc1ccc(/C=C2/C(=O)NN(c3ccc(Cl)c(Cl)c3)C2=O)cc1OC	ZINC000033457391	519012499	/nfs/dbraw/zinc/01/24/99/519012499.db2.gz	MYTATTBVWSCSHU-ZROIWOOFSA-N	0	2	419.264	4.028	10	30		HIEELN
O=C(C[C@@H]1SC(=NN=CC=Cc2ccccc2)NC1=O)c1ccc2c(c1)CCCC2	ZINC000033698116	527141991	/nfs/dbraw/zinc/14/19/91/527141991.db2.gz	UMUATOUXXLBDFU-ZKCZYQIUSA-N	0	2	417.534	4.425	10	30		HIEELN
O=C(CC1SC(=NN=CC=Cc2ccccc2)NC1=O)c1ccc2c(c1)CCCC2	ZINC000033698116	527142000	/nfs/dbraw/zinc/14/20/00/527142000.db2.gz	UMUATOUXXLBDFU-ZKCZYQIUSA-N	0	2	417.534	4.425	10	30		HIEELN
CCOC(=O)C(=NNc1ccccc1[N+](=O)[O-])n1c2ccccc2sc1=S	ZINC000005736695	557671785	/nfs/dbraw/zinc/67/17/85/557671785.db2.gz	KPSWMHTVVARPIQ-CYVLTUHYSA-N	0	2	402.457	4.177	10	30		HIEELN
CCOC(=O)c1sc(N=CC2C(C)=NN(c3ccc(C)c(C)c3)C2=O)c(C#N)c1C	ZINC000020072948	568587604	/nfs/dbraw/zinc/58/76/04/568587604.db2.gz	AACSVICFGSAENX-WOJGMQOQSA-N	0	2	422.510	4.440	10	30		HIEELN
CCCCOC(=O)C(C)=NN=c1nc(SC)[nH]c2sc3c(c21)CC(C)(C)OC3	ZINC000026802995	520700905	/nfs/dbraw/zinc/70/09/05/520700905.db2.gz	AGQGXIUOYWERFD-SSDVNMTOSA-N	0	2	422.576	4.396	10	30		HIEELN
CC1=NN(c2nc(-c3ccccc3O)cs2)C(=O)C1=NNc1cccc(C)c1C	ZINC000009434616	520898809	/nfs/dbraw/zinc/89/88/09/520898809.db2.gz	PAUPBTAOCBBAFQ-LYBHJNIJSA-N	0	2	405.483	4.323	10	30		HIEELN
C#CCOc1ccc(C=C2C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc1OCC	ZINC000033395296	518322047	/nfs/dbraw/zinc/32/20/47/518322047.db2.gz	WEVVZCUROMOUAH-UYRXBGFRSA-N	0	2	418.449	4.221	10	30		HIEELN