smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCC[C@H](C(=O)c1ccccc1C)N1CCCC1	ZINC000013682112	517607346	/nfs/dbraw/zinc/60/73/46/517607346.db2.gz	VVIVTDYOMWHKAE-OAHLLOKOSA-N	0	1	245.366	3.442	1	0	in-vivo	BGAFMN
CCC[C@@H](C(=O)c1ccccc1C)N1CCCC1	ZINC000013682115	169347107	/nfs/dbraw/zinc/34/71/07/169347107.db2.gz	VVIVTDYOMWHKAE-HNNXBMFYSA-N	0	1	245.366	3.442	1	0	in-vivo	BGAFMN
CCC[C@@H](C(=O)c1cccc(C)c1)N1CCCC1	ZINC000013682120	169347067	/nfs/dbraw/zinc/34/70/67/169347067.db2.gz	HHSYAWUBPBEDMP-HNNXBMFYSA-N	0	1	245.366	3.442	1	0	in-vivo	BGAFMN
CN1CCC[C@@H]1c1cc(Cc2ccccc2)no1	ZINC000027519459	173035645	/nfs/dbraw/zinc/03/56/45/173035645.db2.gz	SJAJVNLJYJLUON-CQSZACIVSA-N	0	1	242.322	3.032	1	0		BGAFMN
C[C@]12N[C@H](Cc3ccc(F)cc31)c1ccccc12	ZINC000027892660	177485808	/nfs/dbraw/zinc/48/58/08/177485808.db2.gz	AQCDEBMTYPJJSD-HZPDHXFCSA-N	0	1	239.293	3.290	1	0		BGAFMN
CN1[C@H]2c3ccccc3[C@@H]1Cc1ccccc12	ZINC000027893253	173207982	/nfs/dbraw/zinc/20/79/82/173207982.db2.gz	PFFGUTFSPWUIOT-JKSUJKDBSA-N	0	1	221.303	3.319	1	0		BGAFMN
Cc1nc2c(/C=C/c3ccccc3)cccn2c1N	ZINC000029409072	180059939	/nfs/dbraw/zinc/05/99/39/180059939.db2.gz	IRUQZZZROURFAO-MDZDMXLPSA-N	0	1	249.317	3.395	1	0		BGAFMN
Cc1nc2c(/C=C\c3ccccc3)cccn2c1N	ZINC000029412554	180059339	/nfs/dbraw/zinc/05/93/39/180059339.db2.gz	IRUQZZZROURFAO-KTKRTIGZSA-N	0	1	249.317	3.395	1	0		BGAFMN
CC1=CC[C@H]([C@@H](C)CCN2CCOCC2)CC1	ZINC000034586837	168121575	/nfs/dbraw/zinc/12/15/75/168121575.db2.gz	AUHZNHJBKOZUMT-GJZGRUSLSA-N	0	1	237.387	3.091	1	0		BGAFMN
CC1=CC[C@H]([C@H](C)CCN2CCOCC2)CC1	ZINC000034586838	168121924	/nfs/dbraw/zinc/12/19/24/168121924.db2.gz	AUHZNHJBKOZUMT-CABCVRRESA-N	0	1	237.387	3.091	1	0		BGAFMN
CN1CCc2c3ccccc3n3c2[C@@H]1CCC=C3	ZINC000043073701	173170886	/nfs/dbraw/zinc/17/08/86/173170886.db2.gz	GLNSGTPDENYBSK-HNNXBMFYSA-N	0	1	238.334	3.435	1	0		BGAFMN
CCCC[C@H]1[NH2+]CCc2cc([O-])c(Cl)cc21	ZINC000045262026	169014901	/nfs/dbraw/zinc/01/49/01/169014901.db2.gz	UCHLMHDIBLECGN-GFCCVEGCSA-N	0	1	239.746	3.423	1	0		BGAFMN
Cc1cc(NC(C)C)nc(NC2CCCCC2)n1	ZINC000045351152	178153196	/nfs/dbraw/zinc/15/31/96/178153196.db2.gz	MYHXPJJPNMYNJN-UHFFFAOYSA-N	0	1	248.374	3.350	1	0		BGAFMN
Cc1cc(NC2CCCCC2)nc(NC(C)C)n1	ZINC000045351198	178155427	/nfs/dbraw/zinc/15/54/27/178155427.db2.gz	JMAFWQVDGZHOCB-UHFFFAOYSA-N	0	1	248.374	3.350	1	0		BGAFMN
C[N@H+]1CCC=C(c2ccc(Cl)cc2)C1	ZINC000045372744	188297410	/nfs/dbraw/zinc/29/74/10/188297410.db2.gz	VWTALPGQALRNAL-UHFFFAOYSA-N	0	1	207.704	3.059	1	0		BGAFMN
Cc1ccccc1-c1nc(CN2CCCC2)co1	ZINC000072103168	179237927	/nfs/dbraw/zinc/23/79/27/179237927.db2.gz	AELGDYHBIUYNMS-UHFFFAOYSA-N	0	1	242.322	3.246	1	0		BGAFMN
C[C@@H]1CCCCN1Cc1coc(-c2ccco2)n1	ZINC000072141492	176074077	/nfs/dbraw/zinc/07/40/77/176074077.db2.gz	FSJLNGHTOUEVSD-LLVKDONJSA-N	0	1	246.310	3.309	1	0		BGAFMN
C[C@H]1CCCCN1Cc1coc(-c2ccco2)n1	ZINC000072141493	177076101	/nfs/dbraw/zinc/07/61/01/177076101.db2.gz	FSJLNGHTOUEVSD-NSHDSACASA-N	0	1	246.310	3.309	1	0		BGAFMN
CCCCc1ccc(-c2nc(CN)co2)cc1	ZINC000072180665	169019397	/nfs/dbraw/zinc/01/93/97/169019397.db2.gz	ASJIIPYDBZRJHU-UHFFFAOYSA-N	0	1	230.311	3.143	1	0		BGAFMN
Cc1ccc(-c2nc(CN(C)C(C)C)co2)cc1	ZINC000072183342	178334737	/nfs/dbraw/zinc/33/47/37/178334737.db2.gz	VAOSLQMJTXUPCH-UHFFFAOYSA-N	0	1	244.338	3.490	1	0		BGAFMN
c1[nH]c2ccccc2c1Cc1nc2ccncc2[nH]1	ZINC000072319612	183439224	/nfs/dbraw/zinc/43/92/24/183439224.db2.gz	IYXGZEZOEUQOLV-UHFFFAOYSA-N	0	1	248.289	3.030	1	0	in-vitro	BGAFMN
Cc1ccc(-c2ccccc2-c2cn[nH]n2)cc1	ZINC000073244774	178326647	/nfs/dbraw/zinc/32/66/47/178326647.db2.gz	ACKDPCGYJPVFKO-UHFFFAOYSA-N	0	1	235.290	3.447	1	0		BGAFMN
c1cc2c(ncc3[nH]nc(C4CCCCC4)c23)[nH]1	ZINC000088347299	183371510	/nfs/dbraw/zinc/37/15/10/183371510.db2.gz	NQKQBQVEFPTHFU-UHFFFAOYSA-N	0	1	240.310	3.487	1	0		BGAFMN
CC(C)N(Cc1cnc[nH]1)c1ccccc1Cl	ZINC000095561381	188146829	/nfs/dbraw/zinc/14/68/29/188146829.db2.gz	DKGKODPQOYSUGC-UHFFFAOYSA-N	0	1	249.745	3.478	1	0		BGAFMN
CC(C)N(Cc1cnc[nH]1)c1ccc(Cl)cc1	ZINC000095563099	188319940	/nfs/dbraw/zinc/31/99/40/188319940.db2.gz	AOHLEOYTKMSKPD-UHFFFAOYSA-N	0	1	249.745	3.478	1	0		BGAFMN
C=C(c1ccc[nH]1)N(C)Cc1ccccc1	ZINC000100936948	581091748	/nfs/dbraw/zinc/09/17/48/581091748.db2.gz	UBPBOEOYYZRWQS-UHFFFAOYSA-N	0	1	212.296	3.117	1	0	in-vivo	BGAFMN
C[C@H](O)N(Cc1ccccc1)Cc1ccccc1	ZINC000078326944	368337251	/nfs/dbraw/zinc/33/72/51/368337251.db2.gz	ODFURSVUPUXGCI-AWEZNQCLSA-N	0	1	241.334	3.027	2	0		BGAFMN
C[C@@H](O)N(Cc1ccccc1)Cc1ccccc1	ZINC000078326946	368337540	/nfs/dbraw/zinc/33/75/40/368337540.db2.gz	ODFURSVUPUXGCI-CQSZACIVSA-N	0	1	241.334	3.027	2	0		BGAFMN