smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCC[N@H+](Cc1ccccc1[O-])CC1CC1	ZINC000000216382	169179384	/nfs/dbraw/zinc/17/93/84/169179384.db2.gz	PMTJSQCKTOSXAN-UHFFFAOYSA-N	0	1	219.328	3.014	50	10		BGCAMN
CCC[N@@H+](Cc1ccccc1[O-])CC1CC1	ZINC000000216382	169179381	/nfs/dbraw/zinc/17/93/81/169179381.db2.gz	PMTJSQCKTOSXAN-UHFFFAOYSA-N	0	1	219.328	3.014	50	10		BGCAMN
CC[NH+](CC)Cc1c([O-])ccc2ccccc21	ZINC000000552014	342690107	/nfs/dbraw/zinc/69/01/07/342690107.db2.gz	WXECJRDZWHLBGJ-UHFFFAOYSA-N	0	1	229.323	3.387	50	10		BGCAMN
[O-]c1ccccc1C[NH+]1CCCCCCC1	ZINC000000757278	183302497	/nfs/dbraw/zinc/30/24/97/183302497.db2.gz	QMFYGYIZJLZDGL-UHFFFAOYSA-N	0	1	219.328	3.158	50	10		BGCAMN
[O-]c1ccc(Cl)cc1C[NH+]1CCCCC1	ZINC000001646646	183273029	/nfs/dbraw/zinc/27/30/29/183273029.db2.gz	GVAMPYVXAAFYCE-UHFFFAOYSA-N	0	1	225.719	3.032	50	10		BGCAMN
CC[NH+](CC)Cc1ccc2ccccc2c1[O-]	ZINC000001849777	351571732	/nfs/dbraw/zinc/57/17/32/351571732.db2.gz	COYDEDXBCPJSSN-UHFFFAOYSA-N	0	1	229.323	3.387	50	10		BGCAMN
[O-]c1cc2ccccc2cc1[C@H]1CCCC[NH2+]1	ZINC000002534107	183263430	/nfs/dbraw/zinc/26/34/30/183263430.db2.gz	ODOBBSAHXGCTIL-CQSZACIVSA-N	0	1	227.307	3.360	50	10		BGCAMN
O=C1c2ccc(Cl)cc2C(=O)[C@@H]2C=CCC=C12	ZINC000003851047	386691445	/nfs/dbraw/zinc/69/14/45/386691445.db2.gz	MPEVIGLDALDDOV-NXEZZACHSA-N	0	1	244.677	3.077	50	10		BGCAMN
[O-]c1cc2ccccc2cc1[C@@H]1CCCC[NH2+]1	ZINC000004234988	183262844	/nfs/dbraw/zinc/26/28/44/183262844.db2.gz	ODOBBSAHXGCTIL-AWEZNQCLSA-N	0	1	227.307	3.360	50	10		BGCAMN
CC1=NN(C)C(=O)C1=NNc1ccc(C)cc1	ZINC000004323388	178360303	/nfs/dbraw/zinc/36/03/03/178360303.db2.gz	YPPUPVSIRZPXDQ-BUHFOSPRSA-N	0	1	230.271	3.158	50	10		BGCAMN
[O-]c1ccc(Cl)cc1C[NH2+]C1CCCC1	ZINC000004715534	183272896	/nfs/dbraw/zinc/27/28/96/183272896.db2.gz	QUZFYTAURGZVOE-UHFFFAOYSA-N	0	1	225.719	3.078	50	10		BGCAMN
CCCC[N@@H+](C)Cc1cc(Cl)ccc1[O-]	ZINC000004987377	343139164	/nfs/dbraw/zinc/13/91/64/343139164.db2.gz	BZYBLEIQGZDNSU-UHFFFAOYSA-N	0	1	227.735	3.278	50	10		BGCAMN
CCCC[N@H+](C)Cc1cc(Cl)ccc1[O-]	ZINC000004987377	343139163	/nfs/dbraw/zinc/13/91/63/343139163.db2.gz	BZYBLEIQGZDNSU-UHFFFAOYSA-N	0	1	227.735	3.278	50	10		BGCAMN
c1ncc(C2Nc3cccc4cccc(c43)N2)[nH]1	ZINC000005037852	183374926	/nfs/dbraw/zinc/37/49/26/183374926.db2.gz	IMRAEKLXHIJGIP-UHFFFAOYSA-N	0	1	236.278	3.099	50	10		BGCAMN
CCOC(=O)c1sc(-c2ccccc2)cc1O	ZINC000009596220	170310984	/nfs/dbraw/zinc/31/09/84/170310984.db2.gz	UYGIKZWNROPVTI-UHFFFAOYSA-N	0	1	248.303	3.297	50	10		BGCAMN
Cc1ccc2nc(Cc3ccc(N)cc3)[nH]c2c1	ZINC000015974458	342903986	/nfs/dbraw/zinc/90/39/86/342903986.db2.gz	OPLXYWVBFUSFRS-UHFFFAOYSA-N	0	1	237.306	3.044	50	10		BGCAMN
[O-]c1ccc(Cl)cc1C[NH2+]Cc1ccccc1	ZINC000019899568	183273716	/nfs/dbraw/zinc/27/37/16/183273716.db2.gz	HHAJCUVTAJHDOD-UHFFFAOYSA-N	0	1	247.725	3.335	50	10		BGCAMN
CCN(c1ccc(N)cc1)C1CCCCC1	ZINC000022214077	343044387	/nfs/dbraw/zinc/04/43/87/343044387.db2.gz	IMDARUXWNKRPJK-UHFFFAOYSA-N	0	1	218.344	3.428	50	10		BGCAMN
COC(=O)c1sc2ccc(Cl)cc2c1O	ZINC000034475823	342881497	/nfs/dbraw/zinc/88/14/97/342881497.db2.gz	SBCZYSMVZRMPCF-UHFFFAOYSA-N	0	1	242.683	3.047	50	10		BGCAMN
CC(C)Cc1cc2c(ccc([O-])c2C[NH+](C)C)o1	ZINC000075279830	356938450	/nfs/dbraw/zinc/93/84/50/356938450.db2.gz	GMCWYYWLOFCRSM-UHFFFAOYSA-N	0	1	247.338	3.399	50	10		BGCAMN
CN(C)C1=CC(=O)C(=NN=c2cccc[nH]2)C=C1	ZINC000100252302	384629139	/nfs/dbraw/zinc/62/91/39/384629139.db2.gz	RBYWVGOQLYTZCK-FOCLMDBBSA-N	0	1	242.282	3.269	50	10		BGCAMN
O=C1c2ccc(Cl)cc2C(=O)[C@@H]2C=CCC=C12	ZINC000100642886	384649647	/nfs/dbraw/zinc/64/96/47/384649647.db2.gz	MPEVIGLDALDDOV-VHSXEESVSA-N	0	1	244.677	3.077	50	10		BGCAMN
O=C1c2ccc(Cl)cc2C(=O)[C@H]2C=CCC=C12	ZINC000100642887	384649590	/nfs/dbraw/zinc/64/95/90/384649590.db2.gz	MPEVIGLDALDDOV-UWVGGRQHSA-N	0	1	244.677	3.077	50	10		BGCAMN
O=C1c2ccc(Cl)cc2C(=O)[C@H]2C=CCC=C12	ZINC000100642890	384649346	/nfs/dbraw/zinc/64/93/46/384649346.db2.gz	MPEVIGLDALDDOV-ZJUUUORDSA-N	0	1	244.677	3.077	50	10		BGCAMN
[O-]c1ccc2ccccc2c1[C@@H]1CCCC[NH2+]1	ZINC000199385792	368406041	/nfs/dbraw/zinc/40/60/41/368406041.db2.gz	MBKMNMJNMHQRHK-ZDUSSCGKSA-N	0	1	227.307	3.360	50	10		BGCAMN
[O-]c1ccc2ccccc2c1[C@H]1CCCC[NH2+]1	ZINC000199385809	368406527	/nfs/dbraw/zinc/40/65/27/368406527.db2.gz	MBKMNMJNMHQRHK-CYBMUJFWSA-N	0	1	227.307	3.360	50	10		BGCAMN