smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC1=C2Sc3ccccc3N=C2NC2=C1Sc1ccccc1[NH2+]2	ZINC000001579539	563393917	/nfs/dbraw/zinc/39/39/17/563393917.db2.gz	QSACSVXLFRHXOZ-UHFFFAOYSA-N	1	2	335.457	5.906	40	5		EKBBLO
O=C(Nc1ccccc1)OCCc1c2ccccc2[nH+]c2ccccc21	ZINC000005011419	210359866	/nfs/dbraw/zinc/35/98/66/210359866.db2.gz	QDRJQQISNGFEMC-UHFFFAOYSA-N	1	2	342.398	5.179	40	5		EKBBLO
Cc1cc([N+](=O)[O-])ccc1Sc1c2ccccc2[nH+]c2ccccc21	ZINC000005552673	563539211	/nfs/dbraw/zinc/53/92/11/563539211.db2.gz	XWCVMPHRGQINTD-UHFFFAOYSA-N	1	2	346.411	5.756	40	5		EKBBLO
O=[N+]([O-])c1ccc(Sc2c3ccccc3[nH+]c3ccccc32)cc1	ZINC000005594130	563541882	/nfs/dbraw/zinc/54/18/82/563541882.db2.gz	DFPBXHGVDBKLNF-UHFFFAOYSA-N	1	2	332.384	5.447	40	5		EKBBLO
CC(C)N(C(=S)Nc1ccc2cc3ccccc3[nH+]c2c1)C(C)C	ZINC000006349316	564125927	/nfs/dbraw/zinc/12/59/27/564125927.db2.gz	CLMGHBVSXBAGRT-UHFFFAOYSA-N	1	2	337.492	5.204	40	5		EKBBLO
c1c(CSc2nc3ccccc3c3ccccc32)[nH+]c2ccccn12	ZINC000016525568	563813994	/nfs/dbraw/zinc/81/39/94/563813994.db2.gz	AMPCZFXORSHLPR-UHFFFAOYSA-N	1	2	341.439	5.328	40	5		EKBBLO
CN(C(=S)Nc1ccc2cc3ccccc3[nH+]c2c1)c1ccccc1	ZINC000033851497	564128445	/nfs/dbraw/zinc/12/84/45/564128445.db2.gz	PEMUZWYRLGXSMF-UHFFFAOYSA-N	1	2	343.455	5.221	40	5		EKBBLO
Fc1ccc(NC(=S)Nc2ccc3cc4ccccc4[nH+]c3c2)cc1	ZINC000409188119	563970819	/nfs/dbraw/zinc/97/08/19/563970819.db2.gz	ATYQSBQTXGKBDA-UHFFFAOYSA-N	1	2	347.418	5.336	40	5		EKBBLO
S=C(Nc1ccc2cc3ccccc3[nH+]c2c1)NC1CCCCC1	ZINC000409188499	563970694	/nfs/dbraw/zinc/97/06/94/563970694.db2.gz	CCXOTTPHZUXEEH-UHFFFAOYSA-N	1	2	335.476	5.007	40	5		EKBBLO
S=C(Nc1ccccc1)Nc1ccc2cc3ccccc3[nH+]c2c1	ZINC000409189349	564011001	/nfs/dbraw/zinc/01/10/01/564011001.db2.gz	JTSMFVZXWVLLNX-UHFFFAOYSA-N	1	2	329.428	5.197	40	5		EKBBLO
Cc1ccc(NC(=S)Nc2ccc3cc4ccccc4[nH+]c3c2)cc1	ZINC000409189964	564010974	/nfs/dbraw/zinc/01/09/74/564010974.db2.gz	OOYAGOCYSOIOLZ-UHFFFAOYSA-N	1	2	343.455	5.505	40	5		EKBBLO