smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[NH+]1CCN(CCNc2cc(C3CC3)[nH+]c(NCCO)n2)CC1	ZINC000329036632	378411829	/nfs/dbraw/zinc/41/18/29/378411829.db2.gz	RKNFGZYJRZETRV-UHFFFAOYSA-N	2	0	320.441	-0.739	40	0		DBABRP
O=C1NCCC[NH2+]CCC[NH2+]CCCNC(=O)c2cccc1n2	ZINC000006002883	275022864	/nfs/dbraw/zinc/02/28/64/275022864.db2.gz	HALGKHJEMQDVIQ-UHFFFAOYSA-N	2	0	319.409	-0.096	40	0		DBABRP
COCC(=O)NC[C@H]1C[C@@H]2CCN1C[C@@H]2C[NH+]1CCN(C)CC1	ZINC000022926942	182341205	/nfs/dbraw/zinc/34/12/05/182341205.db2.gz	COSICHTXULGLHY-HRCADAONSA-N	2	0	324.469	-0.293	40	0	biogenic,in-vitro	DBABRP
O=C1N[C@@H](C[NH+]2CCCCC2)C(=O)N[C@@H]1C[NH+]1CCCCC1	ZINC000001559227	374241558	/nfs/dbraw/zinc/24/15/58/374241558.db2.gz	CFCHHANUXWEBFD-OKILXGFUSA-N	2	0	308.426	-0.059	40	0		DBABRP
C[N@H+](CC1CC[NH+](Cc2cnc[nH]2)CC1)[C@@H]1COC[C@@H](O)[C@H]1O	ZINC000585291150	374881680	/nfs/dbraw/zinc/88/16/80/374881680.db2.gz	LHCCDWSTQZNFJG-OAGGEKHMSA-N	2	0	324.425	-0.326	40	0		DBABRP
C1CC[NH2+]CCNCC[NH2+]CCCC[NH2+]CCNCC[NH2+]C1	ZINC000039372210	277759260	/nfs/dbraw/zinc/75/92/60/277759260.db2.gz	ZKPLZVRLEMPGOX-UHFFFAOYSA-N	4	0	314.522	-0.902	40	0		DBABRP
C[n+]1cccc(C(=O)NCCNC(=O)c2cccc[n+]2C)c1	ZINC000095115855	193424544	/nfs/dbraw/zinc/42/45/44/193424544.db2.gz	SVNWMXQGSQFGJX-UHFFFAOYSA-P	2	0	300.362	-0.505	40	0		DBABRP
O=C1N[C@@H](C[NH+]2CCCCC2)C(=O)N[C@H]1C[NH+]1CCCCC1	ZINC000001559226	296387471	/nfs/dbraw/zinc/38/74/71/296387471.db2.gz	CFCHHANUXWEBFD-KBPBESRZSA-N	2	0	308.426	-0.059	40	0		DBABRP
C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+][C@H]1CC(=O)N(CCN2CCOCC2)C1	ZINC000333757260	296576598	/nfs/dbraw/zinc/57/65/98/296576598.db2.gz	AABUMKWWLFLUHI-PMPSAXMXSA-N	2	0	324.469	-0.103	40	0		DBABRP
C1COCCOCC[NH2+]CCOCCOCCOCC[NH2+]1	ZINC000004521771	392355772	/nfs/dbraw/zinc/35/57/72/392355772.db2.gz	ALSQUFVBKLVFCC-UHFFFAOYSA-N	2	0	306.403	-0.738	40	0		DBABRP
CN(C)c1cc(C[C@@H]2C[NH2+]CCN(C(=O)C[NH+](C)C)C2)ncn1	ZINC000072355057	191128535	/nfs/dbraw/zinc/12/85/35/191128535.db2.gz	NUBUUPATUHLILV-CYBMUJFWSA-N	2	0	320.441	-0.305	40	0		DBABRP
C(CSCC[NH2+]CCC1=[NH+]CCN1)[NH2+]CCC1=[NH+]CCN1	ZINC000001568356	374241292	/nfs/dbraw/zinc/24/12/92/374241292.db2.gz	OLWMHJPVWNEGOW-UHFFFAOYSA-N	4	0	312.487	-0.318	40	0		DBABRP
[NH3+]CCCOCCOCCOCCOCCOCCC[NH3+]	ZINC000043163768	374524370	/nfs/dbraw/zinc/52/43/70/374524370.db2.gz	ACQBZZRBYWWWTC-UHFFFAOYSA-N	2	0	308.419	-0.233	40	0		DBABRP
CN1CCCN(CC[NH3+])CCN(CC[NH3+])CCC[N@H+](C)CC1	ZINC000068605096	374674842	/nfs/dbraw/zinc/67/48/42/374674842.db2.gz	BOOIDOXJMSGBJH-UHFFFAOYSA-N	3	0	314.522	-0.835	40	0		DBABRP
CN1CCC[N@H+](CCC(N)=O)CCN(C)CCC[NH+](C)CC1	ZINC000068604735	374675813	/nfs/dbraw/zinc/67/58/13/374675813.db2.gz	IBGPCFLTBQIYCW-UHFFFAOYSA-N	2	0	313.490	-0.247	40	0		DBABRP
C[C@@H](O)C[NH+](CCN1CC[NH+](C[C@@H](C)O)CC1)C[C@@H](C)O	ZINC000019894052	287083787	/nfs/dbraw/zinc/08/37/87/287083787.db2.gz	CVGZYBYVLMNLGK-RBSFLKMASA-N	2	0	303.447	-0.952	40	0		DBABRP
O=C(C[NH2+]CC1CC1)N1CCN(C(=O)C[NH2+]CC2CC2)CC1	ZINC000004895360	181169598	/nfs/dbraw/zinc/16/95/98/181169598.db2.gz	RDQQIYZKEGXVKD-UHFFFAOYSA-N	2	0	308.426	-0.344	40	0		DBABRP
CC1(C)NC(=[NH2+])NC(=[NH2+])N1c1ccc(N(CCO)CCO)cc1	ZINC000001671007	374242174	/nfs/dbraw/zinc/24/21/74/374242174.db2.gz	HCXQSXCCKDMMRG-UHFFFAOYSA-N	2	0	320.397	-0.337	40	0		DBABRP
C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+][C@@H]1CC(=O)N(CCN2CCOCC2)C1	ZINC000333757257	378565855	/nfs/dbraw/zinc/56/58/55/378565855.db2.gz	AABUMKWWLFLUHI-OAGGEKHMSA-N	2	0	324.469	-0.103	40	0		DBABRP
NC(=[NH2+])SC[C@@H]1OCO[C@@H]1[C@@H]1OCO[C@@H]1CSC(N)=[NH2+]	ZINC000017005388	295006300	/nfs/dbraw/zinc/00/63/00/295006300.db2.gz	ZXFNIIRWWJEORO-KVFPUHGPSA-N	2	0	322.412	-0.277	40	0		DBABRP
NC(=[NH2+])SCCC(=O)NCNC(=O)CCSC(N)=[NH2+]	ZINC000016991091	182067810	/nfs/dbraw/zinc/06/78/10/182067810.db2.gz	JYBZBQPDPRZUOH-UHFFFAOYSA-N	2	0	306.417	-0.790	40	0		DBABRP
C[C@@H](O)C[N@H+](CCN1CC[NH+](C[C@@H](C)O)CC1)C[C@H](C)O	ZINC000019894056	182161514	/nfs/dbraw/zinc/16/15/14/182161514.db2.gz	CVGZYBYVLMNLGK-KFWWJZLASA-N	2	0	303.447	-0.952	40	0		DBABRP
O=C1N[C@H](C[NH+]2CCCCC2)C(=O)N[C@@H]1C[NH+]1CCCCC1	ZINC000001559229	296393831	/nfs/dbraw/zinc/39/38/31/296393831.db2.gz	CFCHHANUXWEBFD-ZIAGYGMSSA-N	2	0	308.426	-0.059	40	0		DBABRP
[NH3+]CCOCCOCCOCCOCCOCCOCC[NH3+]	ZINC000143898982	186034308	/nfs/dbraw/zinc/03/43/08/186034308.db2.gz	SEBZAAOSFDHURG-UHFFFAOYSA-N	2	0	324.418	-0.997	40	0		DBABRP
C[NH2+]Cc1cn(C[C@H]2C[C@@H]3CC[N@@H+]2C[C@@H]3C(=O)N(C)C)nn1	ZINC000008299145	544454598	/nfs/dbraw/zinc/45/45/98/544454598.db2.gz	VTTLJHWCIXQFCX-YUTCNCBUSA-N	2	0	306.414	-0.204	40	0	biogenic,in-vitro	DBABRP
CN(C)c1cc(C[C@H]2C[NH2+]CCN(C(=O)C[NH+](C)C)C2)ncn1	ZINC000072355056	191128719	/nfs/dbraw/zinc/12/87/19/191128719.db2.gz	NUBUUPATUHLILV-ZDUSSCGKSA-N	2	0	320.441	-0.305	40	0		DBABRP
C[C@@H]1CC[NH2+]CC[C@H]1[NH2+][C@@H]1CC(=O)N(CCN2CCOCC2)C1	ZINC000333757246	378566148	/nfs/dbraw/zinc/56/61/48/378566148.db2.gz	AABUMKWWLFLUHI-BZUAXINKSA-N	2	0	324.469	-0.103	40	0		DBABRP
C[C@@H]1CC[NH2+]CC[C@H]1[NH2+][C@H]1CC(=O)N(CCN2CCOCC2)C1	ZINC000333757259	296577238	/nfs/dbraw/zinc/57/72/38/296577238.db2.gz	AABUMKWWLFLUHI-OWCLPIDISA-N	2	0	324.469	-0.103	40	0		DBABRP
[NH3+]C[C@H]1O[C@H](Cc2cc(CN3CC[NH2+]CC3)on2)CC[C@@H]1O	ZINC000077263520	303430651	/nfs/dbraw/zinc/43/06/51/303430651.db2.gz	IOVHJYIGIGEYPJ-AEGPPILISA-N	2	0	310.398	-0.511	40	0	biogenic,in-vitro	DBABRP