smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
OC[C@@H]1Cc2cc(F)ccc2C[NH2+]1	107342026	573534532	/nfs/dbraw/zinc/53/45/32/573534532.db2.gz	HOBXJDYDGFFAPV-JTQLQIEISA-N	1	0	181.210	0.832	30	0		ACACRO
CCOCC[NH+](C)CCOCC	59406937	486760932	/nfs/dbraw/zinc/76/09/32/486760932.db2.gz	NSPBFRRIHOGAHL-UHFFFAOYSA-N	1	0	175.272	0.991	30	0		ACACRO
CN1CC[NH2+]C2(CCC2)C1	201687085	491040323	/nfs/dbraw/zinc/04/03/23/491040323.db2.gz	HIBNUPZVTJUFHV-UHFFFAOYSA-N	1	0	140.230	0.444	30	0		ACACRO
CCOC(=O)c1c[nH]nc1C[NH3+]	118639700	1188777903	/nfs/dbraw/zinc/77/79/03/1188777903.db2.gz	ZWIJQVKGWPTVFR-UHFFFAOYSA-N	1	0	169.184	0.045	30	0		ACACRO
COC(=O)C[C@@H](C)[NH+](C)C	35752292	168094799	/nfs/dbraw/zinc/09/47/99/168094799.db2.gz	KQYAKXSGEDRRKF-ZCFIWIBFSA-N	1	0	145.202	0.500	30	0		ACACRO
COC(=O)C[C@H](C)[NH+](C)C	35752289	168095931	/nfs/dbraw/zinc/09/59/31/168095931.db2.gz	KQYAKXSGEDRRKF-LURJTMIESA-N	1	0	145.202	0.500	30	0		ACACRO
CO[C@@](C)(C[NH3+])C(F)(F)F	85652779	168212040	/nfs/dbraw/zinc/21/20/40/168212040.db2.gz	KLOSUTGQAQIJBT-BYPYZUCNSA-N	1	0	157.135	0.913	30	0		ACACRO
CO[C@](C)(C[NH3+])C(F)(F)F	85652778	168222537	/nfs/dbraw/zinc/22/25/37/168222537.db2.gz	KLOSUTGQAQIJBT-SCSAIBSYSA-N	1	0	157.135	0.913	30	0		ACACRO
FC(F)(F)[C@H]1OCC12C[NH2+]C2	96024450	169072326	/nfs/dbraw/zinc/07/23/26/169072326.db2.gz	OHZFVMDDSQGUBE-BYPYZUCNSA-N	1	0	167.130	0.537	30	0		ACACRO
FC(F)(F)[C@@H]1OCC12C[NH2+]C2	96024452	169072766	/nfs/dbraw/zinc/07/27/66/169072766.db2.gz	OHZFVMDDSQGUBE-SCSAIBSYSA-N	1	0	167.130	0.537	30	0		ACACRO
NC(=O)CC[NH+]1CCCCCC1	33432711	169149135	/nfs/dbraw/zinc/14/91/35/169149135.db2.gz	GSZGLRFFUUAZKB-UHFFFAOYSA-N	1	0	170.256	0.738	30	0		ACACRO
NC(=O)[C@@H]([NH3+])CCC(F)(F)F	83144755	169159562	/nfs/dbraw/zinc/15/95/62/169159562.db2.gz	JNHJLLWYQJNHIR-VKHMYHEASA-N	1	0	170.134	0.142	30	0		ACACRO
[NH3+]CCONC(=O)c1ccccc1	39139049	169191656	/nfs/dbraw/zinc/19/16/56/169191656.db2.gz	VZDFVMOROAMNMD-UHFFFAOYSA-N	1	0	180.207	0.307	30	0		ACACRO
OCC1([NH+]2CCCC2)CC1	39078928	171081057	/nfs/dbraw/zinc/08/10/57/171081057.db2.gz	WNGRWEFUIAQVHA-UHFFFAOYSA-N	1	0	141.214	0.607	30	0		ACACRO
CC[C@@H](F)C[NH3+]	59660186	343346449	/nfs/dbraw/zinc/34/64/49/343346449.db2.gz	OEKBUSOWCWGWMM-SCSAIBSYSA-N	1	0	91.129	0.693	30	0	in-vitro	ACACRO
CC[C@H](F)C[NH3+]	59660184	343346415	/nfs/dbraw/zinc/34/64/15/343346415.db2.gz	OEKBUSOWCWGWMM-BYPYZUCNSA-N	1	0	91.129	0.693	30	0	in-vitro	ACACRO
CNC(=O)[C@H]1CC[C@H]([NH3+])CC1	104475388	343731769	/nfs/dbraw/zinc/73/17/69/343731769.db2.gz	BAAXLXOXUTWMSB-KNVOCYPGSA-N	1	0	156.229	0.250	30	0		ACACRO
OC[C@@H]1CC2(CC2)C[NH2+]1	146352036	344040090	/nfs/dbraw/zinc/04/00/90/344040090.db2.gz	WMRHLUMWSAZZMJ-LURJTMIESA-N	1	0	127.187	0.121	30	0		ACACRO
c1cn2c(n1)C[NH2+]CCC2	24532969	351417256	/nfs/dbraw/zinc/41/72/56/351417256.db2.gz	MSGXSUOARVWIGR-UHFFFAOYSA-N	1	0	137.186	0.376	30	0		ACACRO