smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCC[N@H+]1CC[C@@]23c4c5c(O)ccc4C[C@@H]1[C@]21C=C[C@](OC)([C@@H]3O5)[C@@H]([NH3+])C1	ZINC000058577345	205277756	/nfs/dbraw/zinc/27/77/56/205277756.db2.gz	YJJFLCYVPICLME-LRVUYGIZSA-N	2	1	368.477	2.104	1	0		FEAFMP
C[NH2+]CC[NH2+]C[C@H]1CCC[C@@]12C[C@@H]1[C@H]2[C@@H](O)C[C@]2(C)CCC[C@@]1(O)C2	ZINC000085547576	291050083	/nfs/dbraw/zinc/05/00/83/291050083.db2.gz	MGICYJJSAWMNGJ-AIGJGIFASA-N	2	1	350.547	2.294	1	0	biogenic,in-vitro	FEAFMP
Nc1[nH+]cnc2c1c(-c1cccc(O)c1)cn2C1CC[NH+](CCO)CC1	ZINC000001493882	204011107	/nfs/dbraw/zinc/01/11/07/204011107.db2.gz	WJSCDYSIDGEWEB-UHFFFAOYSA-N	2	1	353.426	2.015	1	0		FEAFMP
COc1cc([C@@H]([NH3+])c2ccc3[nH+]c(N)nc(N)c3c2C)cc(OC)c1OC	ZINC000064361552	205297723	/nfs/dbraw/zinc/29/77/23/205297723.db2.gz	GCDRFLKFYBYDQC-MRXNPFEDSA-N	2	1	369.425	2.177	1	0		FEAFMP
NC(=[NH2+])c1cc2nc(-c3cccc(OC[C@H]4CCC[NH2+]4)c3O)[nH]c2cc1F	ZINC000012354921	581096653	/nfs/dbraw/zinc/09/66/53/581096653.db2.gz	OQUWSJYELDQMCU-SNVBAGLBSA-N	2	1	369.400	2.489	1	0		FEAFMP
O=C1NC(CCC[N@@H+]2CC=C(c3ccccc3)CC2)=N[C@H]2CCOC[C@H]12	ZINC000028525005	581100793	/nfs/dbraw/zinc/10/07/93/581100793.db2.gz	RCVWWPSJYZKVFU-OALUTQOASA-N	2	1	353.466	2.489	1	0		FEAFMP
C[NH+]1CCN(c2nc3c(c(Nc4ccc(F)cc4)n2)CC[N@H+](C)CC3)CC1	ZINC000096928126	132226567	/nfs/dbraw/zinc/22/65/67/132226567.db2.gz	YKQFMPGEPKMDFN-UHFFFAOYSA-N	2	1	370.476	2.142	1	0		FEAFMP
C[NH+]1CCN(c2nc3c(c(Nc4ccc(F)cc4)n2)CC[N@@H+](C)CC3)CC1	ZINC000096928126	132226569	/nfs/dbraw/zinc/22/65/69/132226569.db2.gz	YKQFMPGEPKMDFN-UHFFFAOYSA-N	2	1	370.476	2.142	1	0		FEAFMP
Cc1c(OC[C@@H]2CCC[N@H+](C)C2)ccc2c(N3CC[NH2+]CC3)cc(=O)oc12	ZINC000049942656	136123922	/nfs/dbraw/zinc/12/39/22/136123922.db2.gz	DHVKGIVQRQBELN-MRXNPFEDSA-N	2	1	371.481	2.232	1	0		FEAFMP
Cc1ccc(O[C@@H]2C[NH2+][C@@H](C(=O)N3CCC[N@H+](C4CCC4)CC3)C2)cc1	ZINC000049089526	221019146	/nfs/dbraw/zinc/01/91/46/221019146.db2.gz	ZZKBBEYDJQTXJT-VQTJNVASSA-N	2	1	357.498	2.191	1	0		FEAFMP
COc1cc([C@H]([NH3+])c2ccc3[nH+]c(N)nc(N)c3c2C)cc(OC)c1OC	ZINC000058576548	221122053	/nfs/dbraw/zinc/12/20/53/221122053.db2.gz	GCDRFLKFYBYDQC-INIZCTEOSA-N	2	1	369.425	2.177	1	0		FEAFMP
O=C1NC(CCC[N@@H+]2CC=C(c3ccccc3)CC2)=N[C@@H]2CCOC[C@H]12	ZINC000028525004	581100782	/nfs/dbraw/zinc/10/07/82/581100782.db2.gz	RCVWWPSJYZKVFU-RBUKOAKNSA-N	2	1	353.466	2.489	1	0		FEAFMP
COc1ccc2[nH+]c(C)cc(-n3cc(CNCCC[NH+](C)C)nn3)c2c1	ZINC000064532257	221148010	/nfs/dbraw/zinc/14/80/10/221148010.db2.gz	LAJHXCOJAZIHSM-UHFFFAOYSA-N	2	1	354.458	2.174	1	0		FEAFMP
C[C@H](NC(=O)C1([NH3+])CCN(c2[nH+]cnc3[nH]ccc32)CC1)c1ccccc1	ZINC000095580712	132215693	/nfs/dbraw/zinc/21/56/93/132215693.db2.gz	YNLYLPHADLWJIV-AWEZNQCLSA-N	2	1	364.453	2.133	1	0		FEAFMP
Cc1c(OC[C@H]2CCC[N@H+](C)C2)ccc2c(N3CC[NH2+]CC3)cc(=O)oc12	ZINC000049942657	136123932	/nfs/dbraw/zinc/12/39/32/136123932.db2.gz	DHVKGIVQRQBELN-INIZCTEOSA-N	2	1	371.481	2.232	1	0		FEAFMP
C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](NC(=O)c1nn(CCC[NH3+])c3ccccc31)C2	ZINC000103097232	209245263	/nfs/dbraw/zinc/24/52/63/209245263.db2.gz	GSAVAAKDTVSQKT-MUJYYYPQSA-N	2	1	355.486	2.130	1	0		FEAFMP
NC(=[NH2+])c1cc2nc(-c3cccc(O[C@H]4CC[NH2+]C4)c3O)[nH]c2cc1F	ZINC000013444378	211034952	/nfs/dbraw/zinc/03/49/52/211034952.db2.gz	JTWPXAPBCSEZRE-VIFPVBQESA-N	2	1	355.373	2.099	1	0		FEAFMP
CC[NH+]1CCN(Cc2cn(-c3cc(C)[nH+]c4ccc(OC)cc43)nn2)CC1	ZINC000064516581	212038181	/nfs/dbraw/zinc/03/81/81/212038181.db2.gz	SNCDJMRQVPQBBA-UHFFFAOYSA-N	2	1	366.469	2.270	1	0		FEAFMP
O=C1NC(CCC[N@@H+]2CC=C(c3ccccc3)CC2)=N[C@@H]2CCOC[C@@H]12	ZINC000169352147	581100844	/nfs/dbraw/zinc/10/08/44/581100844.db2.gz	RCVWWPSJYZKVFU-RTBURBONSA-N	2	1	353.466	2.489	1	0		FEAFMP
c1ccc(CNc2nc(Nc3cc[nH+]cc3)nc(N3CC[NH2+]CC3)n2)cc1	ZINC000045300236	581092461	/nfs/dbraw/zinc/09/24/61/581092461.db2.gz	ISYXVFFEJOZHOV-UHFFFAOYSA-N	2	1	362.441	2.032	1	0		FEAFMP
NC(=[NH2+])c1cc2nc(-c3cccc(O[C@@H]4CC[NH2+]C4)c3O)[nH]c2cc1F	ZINC000013444375	220066649	/nfs/dbraw/zinc/06/66/49/220066649.db2.gz	JTWPXAPBCSEZRE-SECBINFHSA-N	2	1	355.373	2.099	1	0		FEAFMP
O=C1NC(CCC[N@@H+]2CC=C(c3ccccc3)CC2)=N[C@H]2CCOC[C@@H]12	ZINC000169352149	581100959	/nfs/dbraw/zinc/10/09/59/581100959.db2.gz	RCVWWPSJYZKVFU-MOPGFXCFSA-N	2	1	353.466	2.489	1	0		FEAFMP
C[C@@H](NC(=O)C1([NH3+])CCN(c2[nH+]cnc3[nH]ccc32)CC1)c1ccccc1	ZINC000095580713	132215715	/nfs/dbraw/zinc/21/57/15/132215715.db2.gz	YNLYLPHADLWJIV-CQSZACIVSA-N	2	1	364.453	2.133	1	0		FEAFMP
Cc1n[nH]c(C)c1CC[N@H+](C)[C@@H]1c2ccccc2C2(CC[NH2+]CC2)[C@H]1O	ZINC000020600940	220335336	/nfs/dbraw/zinc/33/53/36/220335336.db2.gz	OPXJVGJTXDHZBO-UXHICEINSA-N	2	1	354.498	2.238	1	0		FEAFMP