smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[NH+](C)[C@@H]1CCN(Cc2ccccc2)C[C@@H]1CCC(=O)NCCN1CCCCC1	ZINC000012455948	558417087	/nfs/dbraw/zinc/41/70/87/558417087.db2.gz	ATGBETLJXRKIHH-XZOQPEGZSA-N	1	3	400.611	2.821	10	0		HFAEHO
CN(C)Cc1csc(CN2CCC([NH+]3CCC(C(=O)NC4CC4)CC3)CC2)c1	ZINC000012717057	558455789	/nfs/dbraw/zinc/45/57/89/558455789.db2.gz	QWEPOIFXKMSZRZ-UHFFFAOYSA-N	1	3	404.624	2.765	10	0		HFAEHO
CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2C[N@@H+]1C[C@H](O)[C@@H](N)Cc1ccccc1	ZINC000077271215	559000160	/nfs/dbraw/zinc/00/01/60/559000160.db2.gz	YJRJYYPXNAHNMD-WIYBCGNWSA-N	1	3	401.595	2.713	10	0	in-vitro	HFAEHO
CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2C[N@H+]1C[C@H](O)[C@@H](N)Cc1ccccc1	ZINC000077271215	559000162	/nfs/dbraw/zinc/00/01/62/559000162.db2.gz	YJRJYYPXNAHNMD-WIYBCGNWSA-N	1	3	401.595	2.713	10	0	in-vitro	HFAEHO
COc1ccc(CNCCOc2ccccc2)c(OC[C@H](O)C[NH+]2CCCC2)c1	ZINC000012432647	568722457	/nfs/dbraw/zinc/72/24/57/568722457.db2.gz	LVYYPBTULXHNFT-HXUWFJFHSA-N	1	3	400.519	2.699	10	0		HFAEHO
COc1ccc(CNCCOc2ccccc2)c(OC[C@@H](O)C[NH+]2CCCC2)c1	ZINC000012432646	568722520	/nfs/dbraw/zinc/72/25/20/568722520.db2.gz	LVYYPBTULXHNFT-FQEVSTJZSA-N	1	3	400.519	2.699	10	0		HFAEHO
CC[NH+]1CCC(N[C@H]2C[C@@H](C(=O)NC(C)C)N(Cc3ccccc3Cl)C2)CC1	ZINC000023359090	558551533	/nfs/dbraw/zinc/55/15/33/558551533.db2.gz	IOBRWKKCGJIQLO-FPOVZHCZSA-N	1	3	407.002	2.881	10	0		HFAEHO
CCN1CCN(Cc2cccc(OC[C@H](O)C[N@@H+]3CCc4ccccc4C3)c2)CC1	ZINC000020600435	521688814	/nfs/dbraw/zinc/68/88/14/521688814.db2.gz	QMVRKSWAFIILPC-XMMPIXPASA-N	1	3	409.574	2.622	10	0		HFAEHO
CCN1CCN(Cc2cccc(OC[C@H](O)C[N@H+]3CCc4ccccc4C3)c2)CC1	ZINC000020600435	521688816	/nfs/dbraw/zinc/68/88/16/521688816.db2.gz	QMVRKSWAFIILPC-XMMPIXPASA-N	1	3	409.574	2.622	10	0		HFAEHO
CCN1CCN(Cc2cccc(OC[C@@H](O)C[N@@H+]3CCc4ccccc4C3)c2)CC1	ZINC000020600434	521688954	/nfs/dbraw/zinc/68/89/54/521688954.db2.gz	QMVRKSWAFIILPC-DEOSSOPVSA-N	1	3	409.574	2.622	10	0		HFAEHO
CCN1CCN(Cc2cccc(OC[C@@H](O)C[N@H+]3CCc4ccccc4C3)c2)CC1	ZINC000020600434	521688956	/nfs/dbraw/zinc/68/89/56/521688956.db2.gz	QMVRKSWAFIILPC-DEOSSOPVSA-N	1	3	409.574	2.622	10	0		HFAEHO
CCC[NH+]1CCC(N2C[C@@H](NCc3ccc(F)cc3)C[C@H]2C(=O)NC(C)C)CC1	ZINC000020600382	519844648	/nfs/dbraw/zinc/84/46/48/519844648.db2.gz	XWCZFAZQUIEQNG-UNMCSNQZSA-N	1	3	404.574	2.757	10	0		HFAEHO
CN(C)CCNC(=O)C[C@@H]1CC[NH2+]C[C@@H]1Cc1cc(CSc2ccccc2)on1	ZINC000015673491	291220216	/nfs/dbraw/zinc/22/02/16/291220216.db2.gz	DABMEXVWSZZGFU-ROUUACIJSA-N	1	3	416.591	2.803	10	0		HFAEHO