smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@@H]1C=C([NH2+]CC2(CO)CCC2)NC(=[NH2+])N1	ZINC000006437615	187412528	/nfs/dbraw/zinc/41/25/28/187412528.db2.gz	IHTYPNQYXHAKJA-MRVPVSSYSA-N	2	2	224.308	-0.114	1	0		BBAFLP
C[NH+]1CCN(C2=NC=CN3CC[NH+]=C23)CC1	ZINC000013801537	173076358	/nfs/dbraw/zinc/07/63/58/173076358.db2.gz	FDEOFZCUDZETGC-UHFFFAOYSA-N	2	2	219.292	-0.169	1	0		BBAFLP
O[C@@H]1[C@@H](C[NH2+]Cc2cccs2)[NH2+]C[C@@H]1O	ZINC000022930389	183245322	/nfs/dbraw/zinc/24/53/22/183245322.db2.gz	OKMVGPCMRNTUSN-KXUCPTDWSA-N	2	2	228.317	-0.469	1	0		BBAFLP
C[NH2+]CCCN1CC[NH+](CCC[NH2+]C)CC1	ZINC000022938102	173346828	/nfs/dbraw/zinc/34/68/28/173346828.db2.gz	XEYBEDVKLFEZGW-UHFFFAOYSA-N	3	2	228.384	-0.177	1	0		BBAFLP
O[C@H]1C[NH2+][C@@H](C[NH2+]C2CCCC2)[C@@H]1O	ZINC000026568460	183245836	/nfs/dbraw/zinc/24/58/36/183245836.db2.gz	CAYLVMUUXWDLQS-GUBZILKMSA-N	2	2	200.282	-0.788	1	0		BBAFLP
O[C@H]1C[NH2+][C@H](C[NH2+]C2CCCC2)[C@@H]1O	ZINC000026568465	183245004	/nfs/dbraw/zinc/24/50/04/183245004.db2.gz	CAYLVMUUXWDLQS-UTLUCORTSA-N	2	2	200.282	-0.788	1	0		BBAFLP
O[C@@H]1C[NH2+][C@@H](C[NH2+]Cc2cccs2)[C@@H]1O	ZINC000026568468	183249419	/nfs/dbraw/zinc/24/94/19/183249419.db2.gz	OKMVGPCMRNTUSN-AEJSXWLSSA-N	2	2	228.317	-0.469	1	0		BBAFLP
O[C@H]1C[NH2+][C@@H](C[NH2+]Cc2cccs2)[C@@H]1O	ZINC000026568471	183245787	/nfs/dbraw/zinc/24/57/87/183245787.db2.gz	OKMVGPCMRNTUSN-GUBZILKMSA-N	2	2	228.317	-0.469	1	0		BBAFLP
O[C@@H]1C[NH2+][C@H](C[NH2+]Cc2cccs2)[C@@H]1O	ZINC000026568474	183212700	/nfs/dbraw/zinc/21/27/00/183212700.db2.gz	OKMVGPCMRNTUSN-BBBLOLIVSA-N	2	2	228.317	-0.469	1	0		BBAFLP
O[C@H]1C[NH2+][C@H](C[NH2+]Cc2cccs2)[C@@H]1O	ZINC000026568477	183244990	/nfs/dbraw/zinc/24/49/90/183244990.db2.gz	OKMVGPCMRNTUSN-UTLUCORTSA-N	2	2	228.317	-0.469	1	0		BBAFLP
CCCC[C@H]([NH3+])C(=O)NC(=O)[C@H](C)[NH3+]	ZINC000028466252	169005418	/nfs/dbraw/zinc/00/54/18/169005418.db2.gz	TVASBTDEDVVYKU-BQBZGAKWSA-N	2	2	201.270	-0.506	1	0		BBAFLP
O[C@@H]1[C@@H](C[NH2+][C@@H]2CCc3ccccc32)[NH2+]C[C@@H]1O	ZINC000028469648	183245976	/nfs/dbraw/zinc/24/59/76/183245976.db2.gz	WHMUBFWFVIHUPX-YIYPIFLZSA-N	2	2	248.326	-0.043	1	0		BBAFLP
O[C@@H]1[C@@H](C[NH2+][C@H]2CCc3ccccc32)[NH2+]C[C@@H]1O	ZINC000028469651	183245208	/nfs/dbraw/zinc/24/52/08/183245208.db2.gz	WHMUBFWFVIHUPX-RFQIPJPRSA-N	2	2	248.326	-0.043	1	0		BBAFLP
CN(C)c1cc(N2CC[NH+](C)CC2)nc(N)[nH+]1	ZINC000040953026	132348864	/nfs/dbraw/zinc/34/88/64/132348864.db2.gz	XDZWHHLMPCEUIV-UHFFFAOYSA-N	2	2	236.323	-0.123	1	0		BBAFLP
CCOC(=O)[C@@H]([NH3+])CC1=c2ccccc2=[NH+]C1	ZINC000063067742	170252645	/nfs/dbraw/zinc/25/26/45/170252645.db2.gz	NLCJQIHMGFWMKA-NSHDSACASA-N	2	2	232.283	-0.249	2	0		BBAFLP
C[NH+]1CCN(C2=CCC([NH3+])([NH3+])C=C2)CC1	ZINC000205459683	347444781	/nfs/dbraw/zinc/44/47/81/347444781.db2.gz	AAFYBLMMNIEOHN-UHFFFAOYSA-N	3	2	208.309	-0.309	2	0		BBAFLP
CCC[NH+]1CCC2(CC1)[NH2+]C(CO)(CO)CO2	ZINC000000214836	169191495	/nfs/dbraw/zinc/19/14/95/169191495.db2.gz	RLQMJJFKXOXZRT-UHFFFAOYSA-N	2	2	244.335	-0.468	3	0		BBAFLP