smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCCCCCCNC(=[NH2+])c1ccc(C(=[NH2+])NCCCCCCCC)cc1	ZINC000068562403	519970988	/nfs/dbraw/zinc/97/09/88/519970988.db2.gz	KKRKBAFTSHYPRR-UHFFFAOYSA-N	2	0	386.628	5.818	40	30		GKEBRP
CCCCCCCC/C=C\CCCCCCCC[NH2+]CCCNCCC[NH3+]	ZINC000082030978	519971990	/nfs/dbraw/zinc/97/19/90/519971990.db2.gz	ZXUXEWRICDHNKF-KTKRTIGZSA-N	2	0	381.693	5.942	40	30		GKEBRP
CC[NH+](CC)CCN(/C(=[NH+]\c1ccccc1)N1CCCCC1)c1ccccc1	ZINC000017255438	520639351	/nfs/dbraw/zinc/63/93/51/520639351.db2.gz	LKPUWIZUBWPXIH-IZHYLOQSSA-N	2	0	378.564	5.008	40	30		GKEBRP
CC(C)(C)[N+](=O)C[C@@H](c1ccccc1)[C@@H](C[N+](=O)C(C)(C)C)c1ccccc1	ZINC000104241731	518550294	/nfs/dbraw/zinc/55/02/94/518550294.db2.gz	CILLGYSYGQMQPA-CPMSPYSGSA-N	2	0	380.532	5.313	40	30		GKEBRP
CC(C)c1ccc(/C=[NH+]/CCCCCC/[NH+]=C\c2ccc(C(C)C)cc2)cc1	ZINC000104063574	519834278	/nfs/dbraw/zinc/83/42/78/519834278.db2.gz	SAZMIRRSBLZPLF-RIRMOVKSSA-N	2	0	376.588	7.032	40	30		GKEBRP
CN1CC[NH+](CCCCn2c3ccccc3[s+]c3ccc(=NN=N)cc2-3)CC1	ZINC000016958787	221374586	/nfs/dbraw/zinc/37/45/86/221374586.db2.gz	OZENPWLWODGIFL-UHFFFAOYSA-N	2	0	394.548	5.259	40	30		GKEBRP
Cc1ccc(NC(=[NH+]CCC[NH+](C)C)C(c2ccccc2)c2ccccc2)cc1	ZINC000001590082	212250079	/nfs/dbraw/zinc/25/00/79/212250079.db2.gz	GKKVCRLWNHYYPB-UHFFFAOYSA-N	2	0	385.555	5.589	40	30		GKEBRP
CC(C)c1ccc(/C=[NH+]/CCCCCC/[NH+]=C/c2ccc(C(C)C)cc2)cc1	ZINC000018168436	519834317	/nfs/dbraw/zinc/83/43/17/519834317.db2.gz	SAZMIRRSBLZPLF-MKYUKRCKSA-N	2	0	376.588	7.032	40	30		GKEBRP
CCCCCCCC/C=C/CCCCCCCC[NH2+]CCCNCCC[NH3+]	ZINC000082030979	519969079	/nfs/dbraw/zinc/96/90/79/519969079.db2.gz	ZXUXEWRICDHNKF-MDZDMXLPSA-N	2	0	381.693	5.942	40	30		GKEBRP
CC(C)(C)[N+](=O)C[C@@H](c1ccccc1)[C@@H](C[N+](=O)C(C)(C)C)c1ccccc1	ZINC000104241737	518549780	/nfs/dbraw/zinc/54/97/80/518549780.db2.gz	CILLGYSYGQMQPA-JRMHWZTDSA-N	2	0	380.532	5.313	40	30		GKEBRP
[NH2+]=C(Nc1ccccc1)SCCCCCCSC(=[NH2+])Nc1ccccc1	ZINC000017290146	526828874	/nfs/dbraw/zinc/82/88/74/526828874.db2.gz	DMDJZHDAMJOOKQ-UHFFFAOYSA-N	2	0	386.590	5.706	40	30		GKEBRP
CC[NH+](CC)CCN(/C(=[NH+]/c1ccccc1)N1CCCCC1)c1ccccc1	ZINC000005499373	570442939	/nfs/dbraw/zinc/44/29/39/570442939.db2.gz	LKPUWIZUBWPXIH-OCOZRVBESA-N	2	0	378.564	5.008	40	30		GKEBRP
CC(C)c1ccc(/C=[NH+]\CCCCCC/[NH+]=C\c2ccc(C(C)C)cc2)cc1	ZINC000104063571	519834326	/nfs/dbraw/zinc/83/43/26/519834326.db2.gz	SAZMIRRSBLZPLF-RSSRHXQMSA-N	2	0	376.588	7.032	40	30		GKEBRP
C/C(CC(=O)c1ccccc1)=N\CCCC/N=C(\C)CC(=O)c1ccccc1	ZINC000104207955	570299384	/nfs/dbraw/zinc/29/93/84/570299384.db2.gz	DEOSFAQXYILCQW-FQHZWJPGSA-N	2	0	376.500	5.234	40	30		GKEBRP
C/C(CC(=O)c1ccccc1)=N\CCCC/N=C(/C)CC(=O)c1ccccc1	ZINC000104207959	570299437	/nfs/dbraw/zinc/29/94/37/570299437.db2.gz	DEOSFAQXYILCQW-GAHATOAQSA-N	2	0	376.500	5.234	40	30		GKEBRP
CCCCCCCCCCCCN(CC[NH+](CC)CC)CC[NH+](CC)CC	ZINC000100934606	208383034	/nfs/dbraw/zinc/38/30/34/208383034.db2.gz	XKHMLPVTKLGHQX-UHFFFAOYSA-N	2	0	383.709	5.893	40	30		GKEBRP
CC(C)(C)[N+](=O)C[C@@H](c1ccccc1)[C@@H](C[N+](=O)C(C)(C)C)c1ccccc1	ZINC000016941935	518551119	/nfs/dbraw/zinc/55/11/19/518551119.db2.gz	CILLGYSYGQMQPA-RMHDHFMLSA-N	2	0	380.532	5.313	40	30		GKEBRP
C(=[NH+]/Cc1ccccc1)\c1ccccc1-c1ccccc1/C=[NH+]/Cc1ccccc1	ZINC000018205984	570951494	/nfs/dbraw/zinc/95/14/94/570951494.db2.gz	RWFUQMSVHGTTMK-VFIVCBTMSA-N	2	0	388.514	6.592	40	30		GKEBRP