smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C1CS[C@@H](c2c(Cl)cccc2Cl)N1[C@H]1CCC1[N+](=O)[O-]	ZINC000040943391	202468888	/nfs/dbraw/zinc/46/88/88/202468888.db2.gz	YVQSWLUAYCYHLW-KWBADKCTSA-N	0	3	347.223	3.375	1	5		EGBFHN
C[N+]1(CCOc2cc(=O)c3c([O-])c4ccccc4oc-3c2)CCCC1	ZINC000299831675	717181240	/nfs/dbraw/zinc/18/12/40/717181240.db2.gz	QDENVWURYDJXSK-UHFFFAOYSA-O	0	3	340.399	3.271	1	5		EGBFHN
C[N+]1(CCOc2cc([O-])c3c(c2)oc2ccccc2c3=O)CCCC1	ZINC000299831675	717181242	/nfs/dbraw/zinc/18/12/42/717181242.db2.gz	QDENVWURYDJXSK-UHFFFAOYSA-O	0	3	340.399	3.271	1	5		EGBFHN
Cc1ccc2cc3ccccc3c3c2c1C(=O)N(CCN(C)C)C3=O	ZINC000027555905	202156467	/nfs/dbraw/zinc/15/64/67/202156467.db2.gz	TWWMMJNXESIJKU-UHFFFAOYSA-N	0	3	332.403	3.459	1	5		EGBFHN
CC[C@@H](CO)NCc1ccc2oc3cc(Cl)ccc3c(=O)c2c1	ZINC000038961537	213230807	/nfs/dbraw/zinc/23/08/07/213230807.db2.gz	MYJSRRIGYFJFRP-ZDUSSCGKSA-N	0	3	331.799	3.460	1	5		EGBFHN
Cc1nc2ccc(NCCCN(C)C)c3c2n1c1ccccc1c3=O	ZINC000100938168	219111874	/nfs/dbraw/zinc/11/18/74/219111874.db2.gz	OLLOCQKYLOIHQX-UHFFFAOYSA-N	0	3	334.423	3.111	1	5		EGBFHN
CC[C@H](O)CNCc1ccc2oc3cc(Cl)ccc3c(=O)c2c1	ZINC000040915765	213399104	/nfs/dbraw/zinc/39/91/04/213399104.db2.gz	GKZFMRPAZCKQKA-ZDUSSCGKSA-N	0	3	331.799	3.460	1	5		EGBFHN
COc1c([O-])ccc2c3ccc4cc5c(cc4c3[n+](C)cc21)OCO5	ZINC000001763759	560184913	/nfs/dbraw/zinc/18/49/13/560184913.db2.gz	TXASKRGBMHFMPT-UHFFFAOYSA-O	0	3	334.351	3.414	1	5	biogenic,in-vitro	EGBFHN
COc1ccc2c3c1cc1ccccc1c3C(=O)N(CCN(C)C)C2=O	ZINC000029389391	202185830	/nfs/dbraw/zinc/18/58/30/202185830.db2.gz	MNBZOHWPIKXASF-UHFFFAOYSA-N	0	3	348.402	3.159	1	5		EGBFHN
COc1cccc2c1cc1c3c2cccc3C(=O)N(CCN(C)C)C1=O	ZINC000026831188	202148889	/nfs/dbraw/zinc/14/88/89/202148889.db2.gz	OJEGFDLAYUPGOR-UHFFFAOYSA-N	0	3	348.402	3.159	1	5		EGBFHN
CCCc1nc2ccc(NCCN(C)C)c3c2n1c1ccccc1c3=O	ZINC000101473093	204008347	/nfs/dbraw/zinc/00/83/47/204008347.db2.gz	WROCXYVGLFOOJZ-UHFFFAOYSA-N	0	3	348.450	3.365	1	5		EGBFHN
Cc1c2ccccc2c2c3c1cccc3C(=O)N(CCN(C)C)C2=O	ZINC000003805658	210075193	/nfs/dbraw/zinc/07/51/93/210075193.db2.gz	WYCUKPGWKDNQDV-UHFFFAOYSA-N	0	3	332.403	3.459	1	5		EGBFHN
CN1CCN(CCCNc2ccnc3cc4ccccc4cc32)CC1	ZINC000020029143	212094235	/nfs/dbraw/zinc/09/42/35/212094235.db2.gz	PTNAWAQLOLOCLX-UHFFFAOYSA-N	0	3	334.467	3.437	1	5		EGBFHN
CCc1nc2ccc(NCCCN(C)C)c3c2n1c1ccccc1c3=O	ZINC000101474345	219127926	/nfs/dbraw/zinc/12/79/26/219127926.db2.gz	AONROKVFUHVEJZ-UHFFFAOYSA-N	0	3	348.450	3.365	1	5		EGBFHN
Oc1ccc2c(c1)c1cc3c(cc1c1c2[C@H](O)[C@@H]2CCCN2C1)OCO3	ZINC000066259296	215028687	/nfs/dbraw/zinc/02/86/87/215028687.db2.gz	IHIAREDQYFZXQI-LAUBAEHRSA-N	0	3	349.386	3.439	1	5		EGBFHN
CN(C)CCNC(=O)c1cc2c3ccccc3[nH]c2c2cc(N)ccc12	ZINC000073129372	216354166	/nfs/dbraw/zinc/35/41/66/216354166.db2.gz	ZMEMWPQJIKFMRU-UHFFFAOYSA-N	0	3	346.434	3.348	1	5		EGBFHN