smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@H](O)[C@](C)(CO)NCc1ccc2ccc3cccc4ccc1c2c34	ZINC000026468006	202143458	/nfs/dbraw/zinc/14/34/58/202143458.db2.gz	XUHAATDMBCODLR-FPTDNZKUSA-N	0	3	333.431	3.805	1	5		EHBFHN
CCC(CO)(CO)NCc1ccc2ccc3cccc4ccc1c2c34	ZINC000026485950	202144362	/nfs/dbraw/zinc/14/43/62/202144362.db2.gz	PGULKQQPMATSHP-UHFFFAOYSA-N	0	3	333.431	3.807	1	5		EHBFHN
CC(C)c1ccc2nc3c(cccc3C(=O)NCCN(C)C)cc2c1	ZINC000029563090	202189442	/nfs/dbraw/zinc/18/94/42/202189442.db2.gz	RDYQHRRDESUJIB-UHFFFAOYSA-N	0	3	335.451	3.803	1	5		EHBFHN
CN1CCN(c2c3c4ccccc4nc-3n(C)c3ccccc32)CC1	ZINC000103172632	204064496	/nfs/dbraw/zinc/06/44/96/204064496.db2.gz	MGOXNDITRHCRKO-UHFFFAOYSA-N	0	3	330.435	3.583	1	5		EHBFHN
Cc1coc2c1c(=O)oc1c2ccc2c(OCCN(C)C)cccc21	ZINC000045364857	202549891	/nfs/dbraw/zinc/54/98/91/202549891.db2.gz	RIWQVUQRQKHOAS-UHFFFAOYSA-N	0	3	337.375	3.941	1	5		EHBFHN
CN(C)CCNC(=O)c1cc2c3ccccc3[nH]c2c2ccccc12	ZINC000073129369	216353536	/nfs/dbraw/zinc/35/35/36/216353536.db2.gz	LPXMVQSQRUPOAF-UHFFFAOYSA-N	0	3	331.419	3.766	1	5		EHBFHN
C[N+](C)(C)CCCCOc1cc(=O)c2c([O-])c3ccccc3oc-2c1	ZINC000299830180	717181191	/nfs/dbraw/zinc/18/11/91/717181191.db2.gz	NMXSGCMODWNSCK-UHFFFAOYSA-O	0	3	342.415	3.517	1	5		EHBFHN
C[N+](C)(C)CCCCOc1cc([O-])c2c(c1)oc1ccccc1c2=O	ZINC000299830180	717181193	/nfs/dbraw/zinc/18/11/93/717181193.db2.gz	NMXSGCMODWNSCK-UHFFFAOYSA-O	0	3	342.415	3.517	1	5		EHBFHN
CC(C)(CCO)NCc1ccc2oc3cc(Cl)ccc3c(=O)c2c1	ZINC000040874739	213396054	/nfs/dbraw/zinc/39/60/54/213396054.db2.gz	XBBQAFQHYPPLAD-UHFFFAOYSA-N	0	3	345.826	3.850	1	5		EHBFHN
O=C1c2cccc3cc4ccccc4c(c32)C(=O)N1CCN1CCCC1	ZINC000003805660	210075895	/nfs/dbraw/zinc/07/58/95/210075895.db2.gz	SSGYTQLQLRQNTC-UHFFFAOYSA-N	0	3	344.414	3.685	1	5		EHBFHN
O=[N+]([O-])c1cccc(NC2CCN(CCc3ccccc3)CC2)c1	ZINC000066112593	215014570	/nfs/dbraw/zinc/01/45/70/215014570.db2.gz	RRDJISZCFWVOSZ-UHFFFAOYSA-N	0	3	325.412	3.714	1	5		EHBFHN
CCc1ccc2c3c1cc1ccccc1c3C(=O)N(CCN(C)C)C2=O	ZINC000003805651	210074535	/nfs/dbraw/zinc/07/45/35/210074535.db2.gz	AUEBOFAZJRKWRR-UHFFFAOYSA-N	0	3	346.430	3.713	1	5		EHBFHN
COc1cccc2c(=O)c3c(NCCN(C)C)ccc(C)c3sc12	ZINC000100824883	219108080	/nfs/dbraw/zinc/10/80/80/219108080.db2.gz	OVKJFWXZYPILKA-UHFFFAOYSA-N	0	3	342.464	3.705	1	5		EHBFHN
CC(C)c1nc2ccc(NCCN(C)C)c3c2n1c1ccccc1c3=O	ZINC000101361809	219123862	/nfs/dbraw/zinc/12/38/62/219123862.db2.gz	GGKGSLMQEISZNM-UHFFFAOYSA-N	0	3	348.450	3.536	1	5		EHBFHN
CN(C)Cc1ccc(-c2ccc(Nc3[nH]ccc3[N+](=O)[O-])cc2)o1	ZINC000100963915	219113079	/nfs/dbraw/zinc/11/30/79/219113079.db2.gz	YBFZUVTZSXFCMB-UHFFFAOYSA-N	0	3	326.356	3.988	1	5		EHBFHN
Oc1ccc2c(c1)c1cc3c(cc1c1c2C[C@@H]2CCCN2C1)OCO3	ZINC000072125759	216016964	/nfs/dbraw/zinc/01/69/64/216016964.db2.gz	PSMOPYBBMRKITH-LBPRGKRZSA-N	0	3	333.387	3.948	1	5		EHBFHN