smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Oc1cc(Br)c(C[C@@H]2NCCc3cc(O)c(O)cc32)cc1O	ZINC000027707287	204868478	/nfs/dbraw/zinc/86/84/78/204868478.db2.gz	HOSYDJXLEUQGSX-LBPRGKRZSA-N	0	3	366.211	2.701	1	10		FFCFHN
[O-]c1c(O)cc2c(c1Br)CC[NH2+]C[C@@H]2c1ccc(O)cc1	ZINC000026392300	203930281	/nfs/dbraw/zinc/93/02/81/203930281.db2.gz	NXZHRTOUXSRPEU-CYBMUJFWSA-N	0	3	350.212	2.844	1	10		FFCFHN
Cn1cc2c3c1cccc3[C@H]1C[C@@H](CNC(=O)c3cccnc3)CN(C)[C@@H]1C2	ZINC000103297424	209252183	/nfs/dbraw/zinc/25/21/83/209252183.db2.gz	GXYMMCCJFLLRKX-NYSBEXSLSA-N	0	3	374.488	2.963	1	10		FFCFHN
CCCn1cc2c3c1cccc3[C@@H]1C[C@H](C(=O)OCCO)CN(C)[C@@H]1C2	ZINC000040791338	208270045	/nfs/dbraw/zinc/27/00/45/208270045.db2.gz	CPXHYIINMNPGCJ-VDZJLULYSA-N	0	3	356.466	2.547	1	10		FFCFHN
CN(C)CCNC(=O)c1cc2cc(O)ccc2c2nc3ccccc3nc12	ZINC000013586914	220077539	/nfs/dbraw/zinc/07/75/39/220077539.db2.gz	RYNFOBGWVLCVAS-UHFFFAOYSA-N	0	3	360.417	2.933	1	10		FFCFHN
Cn1cc2c3c1cccc3[C@H]1C[C@@H](CNC(=O)c3ccccn3)CN(C)[C@@H]1C2	ZINC000103297431	222333389	/nfs/dbraw/zinc/33/33/89/222333389.db2.gz	LMYXHGKJYADDMG-RRMPHLOHSA-N	0	3	374.488	2.963	1	10		FFCFHN
C/C=C1\CN2CC[C@@]34c5cc(OC)ccc5N(C)[C@H]3[C@@H]2C[C@@H]1[C@@H]4C(=O)OC	ZINC000095913516	291056027	/nfs/dbraw/zinc/05/60/27/291056027.db2.gz	CZQHEAVUHGUKFA-WJOBHLERSA-N	0	3	368.477	2.595	1	10	biogenic,in-vitro	FFCFHN
COc1cc(C[C@@]2(C)NCCc3cc(O)c(O)cc32)cc(OC)c1OC	ZINC000169331693	206252230	/nfs/dbraw/zinc/25/22/30/206252230.db2.gz	BCUZEPZVPVYWJT-HXUWFJFHSA-N	0	3	359.422	2.727	1	10		FFCFHN
C/C=C1/CN2CC[C@@]34c5cc(OC)ccc5N(C)[C@H]3[C@@H]2C[C@@H]1[C@@H]4C(=O)OC	ZINC000095913515	291055471	/nfs/dbraw/zinc/05/54/71/291055471.db2.gz	CZQHEAVUHGUKFA-MCBBHXORSA-N	0	3	368.477	2.595	1	10	biogenic,in-vitro	FFCFHN
CCCn1cc2c3c1cccc3[C@H]1C[C@H](C(=O)OCCO)CN(C)[C@@H]1C2	ZINC000040791339	205081764	/nfs/dbraw/zinc/08/17/64/205081764.db2.gz	CPXHYIINMNPGCJ-KVSKMBFKSA-N	0	3	356.466	2.547	1	10		FFCFHN
c1ccc2c(c1)CC(CN1CCN(c3ccc4c(c3)OCCO4)CC1)C2	ZINC000027555955	132916722	/nfs/dbraw/zinc/91/67/22/132916722.db2.gz	CYPJMEGEBKHODC-UHFFFAOYSA-N	0	3	350.462	2.995	1	10		FFCFHN
[O-]c1c(O)cc2c(c1Br)CC[NH2+]C[C@H]2c1ccc(O)cc1	ZINC000026392296	210242656	/nfs/dbraw/zinc/24/26/56/210242656.db2.gz	NXZHRTOUXSRPEU-ZDUSSCGKSA-N	0	3	350.212	2.844	1	10		FFCFHN
CN(C)CCNC(=O)c1cc2cccc(N)c2c2nc3ccccc3nc12	ZINC000013586912	220076777	/nfs/dbraw/zinc/07/67/77/220076777.db2.gz	GGEIKUVBEPURBU-UHFFFAOYSA-N	0	3	359.433	2.810	1	10		FFCFHN