smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC1(C)CN(S(C)(=O)=O)C[C@@H]2C[N@@H+](Cc3ccccc3O)CCN21	ZINC000253394170	488519820	/nfs/dbraw/zinc/51/98/20/488519820.db2.gz	APDNLDSBRZZKAQ-HNNXBMFYSA-N	1	1	353.488	0.932	40	10	biogenic,in-vitro	FCCBMO
COCCN1[C@@H]2C[N@@H+](Cc3ccccc3O)C[C@@H]2OCCS1(=O)=O	ZINC001534645875	1267266568	/nfs/dbraw/zinc/26/65/68/1267266568.db2.gz	OSNJNGHKYKEYKQ-ZBFHGGJFSA-N	1	1	356.444	0.253	40	10		FCCBMO
COCC(=O)N1C[C@@H]2COCCN2C2(C[NH+](Cc3ccccc3O)C2)C1	ZINC000604381212	492059483	/nfs/dbraw/zinc/05/94/83/492059483.db2.gz	FSXXSRPBFJAJLJ-MRXNPFEDSA-N	1	1	361.442	0.136	40	10	biogenic,in-vitro	FCCBMO
COc1ccc(N2CCC(O)(C[N@H+]3CCO[C@](C)(C(N)=O)C3)CC2)cc1	ZINC000585283354	491721229	/nfs/dbraw/zinc/72/12/29/491721229.db2.gz	NQCMUUAVQBUSKQ-SFHVURJKSA-N	1	1	363.458	0.603	40	10		FCCBMO
Nc1ccc(C[N@H+](CCCN2CCOCC2)[C@H]2CCS(=O)(=O)C2)cc1	ZINC000575421053	491553472	/nfs/dbraw/zinc/55/34/72/491553472.db2.gz	MQPUFGGVSVHMEJ-SFHVURJKSA-N	1	1	367.515	0.980	40	10		FCCBMO
Nc1ccc(C[N@@H+](CCCN2CCOCC2)[C@H]2CCS(=O)(=O)C2)cc1	ZINC000575421053	491553473	/nfs/dbraw/zinc/55/34/73/491553473.db2.gz	MQPUFGGVSVHMEJ-SFHVURJKSA-N	1	1	367.515	0.980	40	10		FCCBMO
Nc1ccc(C[N@H+](CCCN2CCOCC2)[C@@H]2CCS(=O)(=O)C2)cc1	ZINC000575421052	491553420	/nfs/dbraw/zinc/55/34/20/491553420.db2.gz	MQPUFGGVSVHMEJ-GOSISDBHSA-N	1	1	367.515	0.980	40	10		FCCBMO
Nc1ccc(C[N@@H+](CCCN2CCOCC2)[C@@H]2CCS(=O)(=O)C2)cc1	ZINC000575421052	491553421	/nfs/dbraw/zinc/55/34/21/491553421.db2.gz	MQPUFGGVSVHMEJ-GOSISDBHSA-N	1	1	367.515	0.980	40	10		FCCBMO
COc1ccc(N2CCC(O)(C[N@H+]3CCO[C@@](C)(C(N)=O)C3)CC2)cc1	ZINC000585283348	491721400	/nfs/dbraw/zinc/72/14/00/491721400.db2.gz	NQCMUUAVQBUSKQ-GOSISDBHSA-N	1	1	363.458	0.603	40	10		FCCBMO