smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(N2CCN(CC[C@@H]3OCCc4ccccc43)CC2)cc1	ZINC000004618051	204150821	/nfs/dbraw/zinc/15/08/21/204150821.db2.gz	IAUNACXRZSWWJT-QFIPXVFZSA-N	0	3	352.478	3.521	1	10		FHCFHN
COC(=O)[C@H]1C[C@@H]2c3cccc4c3c(cn4Cc3ccccc3)C[C@@H]2N(C)C1	ZINC000169313077	206250347	/nfs/dbraw/zinc/25/03/47/206250347.db2.gz	QFUOKYZEWZZDLW-DWLFOUALSA-N	0	3	374.484	3.823	1	10		FHCFHN
CCCCNc1c2ccccc2nc2c(C(=O)NCCN(C)C)cccc21	ZINC000005973633	204232501	/nfs/dbraw/zinc/23/25/01/204232501.db2.gz	IFOGRHUSMJFXSD-UHFFFAOYSA-N	0	3	364.493	3.891	1	10		FHCFHN
C/C=C/c1cc(CN2CCN(c3ccc(OC)cc3)CC2)c(O)c(OC)c1	ZINC000059866778	136132285	/nfs/dbraw/zinc/13/22/85/136132285.db2.gz	OJYCKEOAZWNIGW-SNAWJCMRSA-N	0	3	368.477	3.765	3	10		FHCFHN
O=C(c1ccccc1)c1ccc(C[C@H]2NCCc3cc(O)c(O)cc32)cc1	ZINC000040567184	205072065	/nfs/dbraw/zinc/07/20/65/205072065.db2.gz	OLFRQCNEORKXAT-HXUWFJFHSA-N	0	3	359.425	3.758	1	10		FHCFHN
O=C(N[C@H]1CC[N@@H+](Cc2ccccc2[O-])C1)c1ccc(Cl)c(Cl)c1	ZINC000045195079	208327170	/nfs/dbraw/zinc/32/71/70/208327170.db2.gz	QMYPPRYWDAKFSH-AWEZNQCLSA-N	0	3	365.260	3.703	1	10		FHCFHN
O=C(N[C@H]1CC[N@H+](Cc2ccccc2[O-])C1)c1ccc(Cl)c(Cl)c1	ZINC000045195079	208327176	/nfs/dbraw/zinc/32/71/76/208327176.db2.gz	QMYPPRYWDAKFSH-AWEZNQCLSA-N	0	3	365.260	3.703	1	10		FHCFHN
COc1ccc(N2CCN(CC[C@H]3OCCc4ccccc43)CC2)cc1	ZINC000003812551	536699201	/nfs/dbraw/zinc/69/92/01/536699201.db2.gz	IAUNACXRZSWWJT-JOCHJYFZSA-N	0	3	352.478	3.521	1	10		FHCFHN
COc1cccc2c1[C@@H](C)C[C@@H](O)[C@H]2c1ccc2c(c1[O-])[C@@H](C)[NH2+][C@H](C)C2	ZINC000095486319	291078334	/nfs/dbraw/zinc/07/83/34/291078334.db2.gz	CJSBULIESOFFFZ-ZBEYHTLISA-N	0	3	367.489	3.996	1	10	biogenic,in-vitro	FHCFHN
O=C(c1ccccc1)c1ccc(C[C@@H]2NCCc3cc(O)c(O)cc32)cc1	ZINC000040567185	208256429	/nfs/dbraw/zinc/25/64/29/208256429.db2.gz	OLFRQCNEORKXAT-FQEVSTJZSA-N	0	3	359.425	3.758	1	10		FHCFHN
Cn1cc2c3c1cccc3[C@H]1C[C@@H](CNC(=O)c3ccccc3)CN(C)[C@@H]1C2	ZINC000103297509	209252695	/nfs/dbraw/zinc/25/26/95/209252695.db2.gz	OFXSILNGLBNZGN-SAWYMBPVSA-N	0	3	373.500	3.568	1	10		FHCFHN
COc1ccc2nc3cc(I)ccc3c(N)c2c1	ZINC000095584327	209081628	/nfs/dbraw/zinc/08/16/28/209081628.db2.gz	FKAJODAXWWSUFB-UHFFFAOYSA-N	0	3	350.159	3.583	1	10		FHCFHN
O=C(N[C@@H]1CCCC[N@@H+](Cc2ccccc2[O-])C1)c1cccc(Cl)c1	ZINC000045211011	208327011	/nfs/dbraw/zinc/32/70/11/208327011.db2.gz	HJMDXWUXGMCUCS-GOSISDBHSA-N	0	3	358.869	3.830	1	10		FHCFHN
O=C(N[C@@H]1CCCC[N@H+](Cc2ccccc2[O-])C1)c1cccc(Cl)c1	ZINC000045211011	208327018	/nfs/dbraw/zinc/32/70/18/208327018.db2.gz	HJMDXWUXGMCUCS-GOSISDBHSA-N	0	3	358.869	3.830	1	10		FHCFHN
O=C(c1ccccc1)c1cc(CN2CCCC2)c([O-])c(C[NH+]2CCCC2)c1	ZINC000026746202	211453713	/nfs/dbraw/zinc/45/37/13/211453713.db2.gz	PKLSKWMMKKIEQA-UHFFFAOYSA-N	0	3	364.489	3.815	1	10		FHCFHN
Cc1cccc2nc3c4ccccc4cc(C(=O)NCCN(C)C)c3nc12	ZINC000013586922	220077276	/nfs/dbraw/zinc/07/72/76/220077276.db2.gz	ANVIERUTMMGRKK-UHFFFAOYSA-N	0	3	358.445	3.536	1	10		FHCFHN