smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC1CCC([NH2+]Cc2cc(Cl)cc(Cl)c2O)CC1	ZINC000021012716	171288473	/nfs/dbraw/zinc/28/84/73/171288473.db2.gz	ZAPZYKRFDNNSAI-UHFFFAOYSA-N	1	2	288.218	4.367	10	10		CICELO
CC(C)C[C@@H](C)[NH2+]Cc1cc(Cl)cc(Cl)c1O	ZINC000037261047	173070575	/nfs/dbraw/zinc/07/05/75/173070575.db2.gz	VMUWYWCDUHSTGF-SECBINFHSA-N	1	2	276.207	4.223	10	10		CICELO
C[C@H]([NH2+]Cc1cc(Cl)cc(Cl)c1O)c1ccco1	ZINC000035738846	172392659	/nfs/dbraw/zinc/39/26/59/172392659.db2.gz	XMHWJTSTNZXAMJ-QMMMGPOBSA-N	1	2	286.158	4.143	10	10		CICELO
C[C@@H]([NH2+]Cc1cc(Cl)cc(Cl)c1O)c1ccco1	ZINC000035738847	172392373	/nfs/dbraw/zinc/39/23/73/172392373.db2.gz	XMHWJTSTNZXAMJ-MRVPVSSYSA-N	1	2	286.158	4.143	10	10		CICELO
CC(C)C[C@H](C)[NH2+]Cc1cc(Cl)cc(Cl)c1O	ZINC000037261049	173070888	/nfs/dbraw/zinc/07/08/88/173070888.db2.gz	VMUWYWCDUHSTGF-VIFPVBQESA-N	1	2	276.207	4.223	10	10		CICELO
CC(C)c1ccc(CN(C)c2ccc([NH3+])cc2)cc1	ZINC000020475737	171219934	/nfs/dbraw/zinc/21/99/34/171219934.db2.gz	GUFUIXFDTWXYTI-UHFFFAOYSA-N	1	2	254.377	4.029	10	10		CICELO
Cc1ccc2c(c1)[nH+]c(Cc1ccc(N)cc1)n2C(C)C	ZINC000037438428	173208517	/nfs/dbraw/zinc/20/85/17/173208517.db2.gz	UPFJOGWXJGWVDZ-UHFFFAOYSA-N	1	2	279.387	4.099	10	10		CICELO
CC[C@@H]([NH2+]Cc1cc(Cl)cc(Cl)c1O)C(C)C	ZINC000042584984	174807781	/nfs/dbraw/zinc/80/77/81/174807781.db2.gz	LUJFJWJROBBPDV-GFCCVEGCSA-N	1	2	276.207	4.223	10	10		CICELO
Nc1ccc([NH2+]CCc2ccc(Cl)cc2Cl)cc1	ZINC000020383233	171173157	/nfs/dbraw/zinc/17/31/57/171173157.db2.gz	YUTUUBZTFRWCNV-UHFFFAOYSA-N	1	2	281.186	4.230	10	10		CICELO
Nc1ccc(Nc2ccc(-c3ccccc3)cc2)[nH+]c1	ZINC000008436399	170336451	/nfs/dbraw/zinc/33/64/51/170336451.db2.gz	AVTQXVSOZRIFIN-UHFFFAOYSA-N	1	2	261.328	4.074	10	10		CICELO
Oc1ccccc1CNc1c[nH+]ccc1Oc1ccccc1	ZINC000095913299	185030452	/nfs/dbraw/zinc/03/04/52/185030452.db2.gz	RFQIRFQBBVAAOI-UHFFFAOYSA-N	1	2	292.338	4.192	10	10		CICELO
Nc1ccc(Nc2ccc(C(F)(F)F)cc2Cl)[nH+]c1	ZINC000111041580	567859579	/nfs/dbraw/zinc/85/95/79/567859579.db2.gz	FNMIZQFWQTYPPO-UHFFFAOYSA-N	1	2	287.672	4.080	10	10		CICELO