smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC[C@H](CSC)[NH2+][C@@H]1CCCNCC1	ZINC000217328212	384493398	/nfs/dbraw/zinc/49/33/98/384493398.db2.gz	BXSJFQMMEXCXSY-GHMZBOCLSA-N	1	3	216.394	1.860	10	70		BDIEHO
CC[C@H](CSC)N[C@@H]1CCC[NH2+]CC1	ZINC000217328212	384493401	/nfs/dbraw/zinc/49/34/01/384493401.db2.gz	BXSJFQMMEXCXSY-GHMZBOCLSA-N	1	3	216.394	1.860	10	70		BDIEHO
COC[C@H](C)[NH2+][C@@H]1CC[C@@H](N(C)C)C1	ZINC000218743685	134260097	/nfs/dbraw/zinc/26/00/97/134260097.db2.gz	OEWGVLVYQFPCME-HBNTYKKESA-N	1	3	200.326	1.094	10	70		BDIEHO
COC[C@H](C)N[C@@H]1CC[C@@H]([NH+](C)C)C1	ZINC000218743685	134260098	/nfs/dbraw/zinc/26/00/98/134260098.db2.gz	OEWGVLVYQFPCME-HBNTYKKESA-N	1	3	200.326	1.094	10	70		BDIEHO
CCC[C@@H](C(=O)NCC[NH+](CC)CC)N(C)C	ZINC000159588858	323039624	/nfs/dbraw/zinc/03/96/24/323039624.db2.gz	HROZYKZSMVZYOL-LBPRGKRZSA-N	1	3	243.395	1.175	10	70		BDIEHO
CCOCCC[NH2+][C@H]1CCCNCC1	ZINC000160658376	361323584	/nfs/dbraw/zinc/32/35/84/361323584.db2.gz	BCVGTSCKRNRHNV-NSHDSACASA-N	1	3	200.326	1.145	10	70		BDIEHO
CC[C@H](CSC)[NH2+][C@H]1CCCNCC1	ZINC000217328216	384491818	/nfs/dbraw/zinc/49/18/18/384491818.db2.gz	BXSJFQMMEXCXSY-MNOVXSKESA-N	1	3	216.394	1.860	10	70		BDIEHO
CC[C@H](CSC)N[C@H]1CCC[NH2+]CC1	ZINC000217328216	384491820	/nfs/dbraw/zinc/49/18/20/384491820.db2.gz	BXSJFQMMEXCXSY-MNOVXSKESA-N	1	3	216.394	1.860	10	70		BDIEHO
CCC[C@H](C(=O)NCC[NH+](CC)CC)N(C)C	ZINC000159589002	323039554	/nfs/dbraw/zinc/03/95/54/323039554.db2.gz	HROZYKZSMVZYOL-GFCCVEGCSA-N	1	3	243.395	1.175	10	70		BDIEHO
CSCCC[NH2+][C@H]1CCCNCC1	ZINC000160681643	361324144	/nfs/dbraw/zinc/32/41/44/361324144.db2.gz	UNJOAEMFCMJDPE-JTQLQIEISA-N	1	3	202.367	1.471	10	70		BDIEHO
CCOCCC[NH2+][C@@H]1CCCNCC1	ZINC000160658247	361323711	/nfs/dbraw/zinc/32/37/11/361323711.db2.gz	BCVGTSCKRNRHNV-LLVKDONJSA-N	1	3	200.326	1.145	10	70		BDIEHO
CCC[NH2+]CCNCC1CCOCC1	ZINC000161345894	169259580	/nfs/dbraw/zinc/25/95/80/169259580.db2.gz	NGTWJIDIDXDOQB-UHFFFAOYSA-N	1	3	200.326	1.002	10	70		BDIEHO
CC[C@H](CSC)[NH2+]C1CCNCC1	ZINC000217327692	384479082	/nfs/dbraw/zinc/47/90/82/384479082.db2.gz	NEAVHZAMDGBDNC-SECBINFHSA-N	1	3	202.367	1.470	10	70		BDIEHO
CC[C@H](CSC)NC1CC[NH2+]CC1	ZINC000217327692	384479088	/nfs/dbraw/zinc/47/90/88/384479088.db2.gz	NEAVHZAMDGBDNC-SECBINFHSA-N	1	3	202.367	1.470	10	70		BDIEHO
CC[C@@H](CSC)[NH2+][C@H]1CCCNCC1	ZINC000217328214	384493280	/nfs/dbraw/zinc/49/32/80/384493280.db2.gz	BXSJFQMMEXCXSY-QWRGUYRKSA-N	1	3	216.394	1.860	10	70		BDIEHO
CC[C@@H](CSC)N[C@H]1CCC[NH2+]CC1	ZINC000217328214	384493284	/nfs/dbraw/zinc/49/32/84/384493284.db2.gz	BXSJFQMMEXCXSY-QWRGUYRKSA-N	1	3	216.394	1.860	10	70		BDIEHO
CSCCC[NH2+][C@@H]1CCCNCC1	ZINC000160681529	361323760	/nfs/dbraw/zinc/32/37/60/361323760.db2.gz	UNJOAEMFCMJDPE-SNVBAGLBSA-N	1	3	202.367	1.471	10	70		BDIEHO
CC[C@@H](CSC)[NH2+]C1CCNCC1	ZINC000217327690	384479210	/nfs/dbraw/zinc/47/92/10/384479210.db2.gz	NEAVHZAMDGBDNC-VIFPVBQESA-N	1	3	202.367	1.470	10	70		BDIEHO
CC[C@@H](CSC)NC1CC[NH2+]CC1	ZINC000217327690	384479212	/nfs/dbraw/zinc/47/92/12/384479212.db2.gz	NEAVHZAMDGBDNC-VIFPVBQESA-N	1	3	202.367	1.470	10	70		BDIEHO
COC[C@H](C)[NH2+][C@H]1CC[C@@H](N(C)C)C1	ZINC000218743792	134260074	/nfs/dbraw/zinc/26/00/74/134260074.db2.gz	OEWGVLVYQFPCME-GARJFASQSA-N	1	3	200.326	1.094	10	70		BDIEHO
COC[C@H](C)N[C@H]1CC[C@@H]([NH+](C)C)C1	ZINC000218743792	134260075	/nfs/dbraw/zinc/26/00/75/134260075.db2.gz	OEWGVLVYQFPCME-GARJFASQSA-N	1	3	200.326	1.094	10	70		BDIEHO
COCC[C@H](C)[NH2+][C@@H]1CC[C@@H](N(C)C)C1	ZINC000218743481	134260021	/nfs/dbraw/zinc/26/00/21/134260021.db2.gz	LFSSVJXYQWAOKX-QJPTWQEYSA-N	1	3	214.353	1.484	10	70		BDIEHO
COCC[C@H](C)[NH2+][C@H]1CC[C@@H](N(C)C)C1	ZINC000218743586	134260102	/nfs/dbraw/zinc/26/01/02/134260102.db2.gz	LFSSVJXYQWAOKX-SDDRHHMPSA-N	1	3	214.353	1.484	10	70		BDIEHO
CC[C@@H](CSC)[NH2+][C@@H]1CCCNCC1	ZINC000217328211	384493331	/nfs/dbraw/zinc/49/33/31/384493331.db2.gz	BXSJFQMMEXCXSY-WDEREUQCSA-N	1	3	216.394	1.860	10	70		BDIEHO
CC[C@@H](CSC)N[C@@H]1CCC[NH2+]CC1	ZINC000217328211	384493332	/nfs/dbraw/zinc/49/33/32/384493332.db2.gz	BXSJFQMMEXCXSY-WDEREUQCSA-N	1	3	216.394	1.860	10	70		BDIEHO