smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc(Nc2ccc(O)c(CN3CCN(Cc4cc(Nc5cc(C)nc(N)n5)ccc4O)CC3)c2)nc(N)n1	ZINC000022860431	553762689	/nfs/dbraw/zinc/76/26/89/553762689.db2.gz	CNSNWYWUSIZPQM-UHFFFAOYSA-N	0	3	542.648	3.264	40	10		KGCBHN
CCc1cc(-c2nn(CN3CCN(C)CC3)c(C)c2-c2nc3ccccc3n2C)c([O-])c(C[NH+]2CCN(C)CC2)c1O	ZINC000071382512	553635439	/nfs/dbraw/zinc/63/54/39/553635439.db2.gz	QRDJPKPEUKBXAS-UHFFFAOYSA-N	0	3	572.758	3.338	40	10		KGCBHN
O=C(C[C@@H]1CCN2C[C@@H]1CCCOc1ccc(N3CCNCC3)cc1CNCC2=O)NCc1ccccc1Cl	ZINC000072320709	553647866	/nfs/dbraw/zinc/64/78/66/553647866.db2.gz	OFWIUEALODFNLM-UPVQGACJSA-N	0	3	554.135	3.183	40	10		KGCBHN
CN(C)CCOC(=O)CCCCCN1C(=O)/C(=C2\SC(=S)N(CCCCCC(=O)OCCN(C)C)C2=O)SC1=S	ZINC000101000229	554552325	/nfs/dbraw/zinc/55/23/25/554552325.db2.gz	JWDRMUALQRZYJP-QURGRASLSA-N	0	3	632.896	3.249	40	10		KGCBHN
COc1ccc(/C=C2\SC(=S)N(CC(=O)Nc3ccc(C(=O)OCCN(C)C)cc3)C2=O)cc1OC	ZINC000101005376	554553755	/nfs/dbraw/zinc/55/37/55/554553755.db2.gz	ADWRSFCRDCWOCQ-STZFKDTASA-N	0	3	529.640	3.262	40	10		KGCBHN
COc1cccc(-c2ccc3c(c2)OCCC2(CC[NH+](Cc4ccccc4[O-])CC2)NC(=O)[C@@H]2C[C@@H](O)CN2S3(=O)=O)c1	ZINC001548888906	1060046099	/nfs/dbraw/zinc/04/60/99/1060046099.db2.gz	BXYRYHLMUOAGPW-VPUSJEBWSA-N	0	3	607.729	3.125	40	10		KGCBHN
O=C1NC2(CC[NH+](Cc3ccccc3[O-])CC2)CCOc2cc(-c3ccc(F)cc3F)ccc2S(=O)(=O)N2C[C@H](O)C[C@@H]12	ZINC001548889599	1060047034	/nfs/dbraw/zinc/04/70/34/1060047034.db2.gz	HUYOWALSSKWWGT-BVAGGSTKSA-N	0	3	613.683	3.395	40	10		KGCBHN
O=C1NC2(CC[NH+](Cc3ccccc3[O-])CC2)CCOc2cc(-c3ccccc3)ccc2S(=O)(=O)N2C[C@H](O)C[C@@H]12	ZINC001548889751	1060047549	/nfs/dbraw/zinc/04/75/49/1060047549.db2.gz	KCYSTWCOYMRRNB-FTJBHMTQSA-N	0	3	577.703	3.117	40	10		KGCBHN