smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC[NH+](CC)CCC[N@@H+]1CC/C(=C/c2ccc(O)cc2)C1	ZINC000216805280	376168433	/nfs/dbraw/zinc/16/84/33/376168433.db2.gz	QHNPJVONJKWGHG-VKAVYKQESA-N	2	2	288.435	3.213	10	70		CGIELP
CC[NH+](CC)CCC[N@H+]1CC/C(=C/c2ccc(O)cc2)C1	ZINC000216805280	376168444	/nfs/dbraw/zinc/16/84/44/376168444.db2.gz	QHNPJVONJKWGHG-VKAVYKQESA-N	2	2	288.435	3.213	10	70		CGIELP
CCOc1ccc([C@@H](C)[NH2+][C@H]2CCC[N@H+](CC)C2)cc1	ZINC000217913261	392995868	/nfs/dbraw/zinc/99/58/68/392995868.db2.gz	NEFSDIGSKIUTMC-ZBFHGGJFSA-N	2	2	276.424	3.220	10	70		CGIELP
CCOc1ccc([C@@H](C)[NH2+][C@H]2CCC[N@@H+](CC)C2)cc1	ZINC000217913261	392995872	/nfs/dbraw/zinc/99/58/72/392995872.db2.gz	NEFSDIGSKIUTMC-ZBFHGGJFSA-N	2	2	276.424	3.220	10	70		CGIELP
C[C@@H](c1ccc(C(C)(C)C)cc1)[N@@H+]1CCC[C@@H]([NH3+])C1	ZINC000217504798	287132359	/nfs/dbraw/zinc/13/23/59/287132359.db2.gz	XCHGIGIHDAGQHM-XJKSGUPXSA-N	2	2	260.425	3.468	10	70		CGIELP
C[C@@H](c1ccc(C(C)(C)C)cc1)[N@H+]1CCC[C@@H]([NH3+])C1	ZINC000217504798	287132360	/nfs/dbraw/zinc/13/23/60/287132360.db2.gz	XCHGIGIHDAGQHM-XJKSGUPXSA-N	2	2	260.425	3.468	10	70		CGIELP
CCOc1ccc([C@@H](C)[NH2+][C@@H]2CCC[N@H+](CC)C2)cc1	ZINC000217913197	376181172	/nfs/dbraw/zinc/18/11/72/376181172.db2.gz	NEFSDIGSKIUTMC-GDBMZVCRSA-N	2	2	276.424	3.220	10	70		CGIELP
CCOc1ccc([C@@H](C)[NH2+][C@@H]2CCC[N@@H+](CC)C2)cc1	ZINC000217913197	376181181	/nfs/dbraw/zinc/18/11/81/376181181.db2.gz	NEFSDIGSKIUTMC-GDBMZVCRSA-N	2	2	276.424	3.220	10	70		CGIELP
CC[N@@H+]1CCC[C@H]([NH2+][C@H](c2ccc(F)cc2)C2CC2)C1	ZINC000217918249	270085606	/nfs/dbraw/zinc/08/56/06/270085606.db2.gz	AGJJBWYTRRJDOO-IRXDYDNUSA-N	2	2	276.399	3.351	10	70		CGIELP
CC[N@H+]1CCC[C@H]([NH2+][C@H](c2ccc(F)cc2)C2CC2)C1	ZINC000217918249	270085607	/nfs/dbraw/zinc/08/56/07/270085607.db2.gz	AGJJBWYTRRJDOO-IRXDYDNUSA-N	2	2	276.399	3.351	10	70		CGIELP
C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)c1ccco1	ZINC000160216960	372226816	/nfs/dbraw/zinc/22/68/16/372226816.db2.gz	XEXDJDPGNYJVSM-VYDXJSESSA-N	2	2	299.418	3.236	10	70		CGIELP
CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](c1ccc(OC)cc1)C1CC1	ZINC000217875540	279314867	/nfs/dbraw/zinc/31/48/67/279314867.db2.gz	PAKCVKHWLBUQPM-AEFFLSMTSA-N	2	2	288.435	3.220	10	70		CGIELP
CC[N@H+]1CCC[C@@H]1C[NH2+][C@H](c1ccc(OC)cc1)C1CC1	ZINC000217875540	279314868	/nfs/dbraw/zinc/31/48/68/279314868.db2.gz	PAKCVKHWLBUQPM-AEFFLSMTSA-N	2	2	288.435	3.220	10	70		CGIELP
CC[N@@H+]1CCC[C@H]1C[NH2+][C@H](c1ccc(OC)cc1)C1CC1	ZINC000217875626	285289466	/nfs/dbraw/zinc/28/94/66/285289466.db2.gz	PAKCVKHWLBUQPM-WMZOPIPTSA-N	2	2	288.435	3.220	10	70		CGIELP
CC[N@H+]1CCC[C@H]1C[NH2+][C@H](c1ccc(OC)cc1)C1CC1	ZINC000217875626	285289467	/nfs/dbraw/zinc/28/94/67/285289467.db2.gz	PAKCVKHWLBUQPM-WMZOPIPTSA-N	2	2	288.435	3.220	10	70		CGIELP
CC[N@@H+]1CCC[C@H]([NH2+][C@H](c2ccccc2)C(C)C)C1	ZINC000217918082	270085407	/nfs/dbraw/zinc/08/54/07/270085407.db2.gz	GUVIKUJXSNATIA-IRXDYDNUSA-N	2	2	260.425	3.458	10	70		CGIELP
CC[N@H+]1CCC[C@H]([NH2+][C@H](c2ccccc2)C(C)C)C1	ZINC000217918082	270085408	/nfs/dbraw/zinc/08/54/08/270085408.db2.gz	GUVIKUJXSNATIA-IRXDYDNUSA-N	2	2	260.425	3.458	10	70		CGIELP
CC[N@@H+]1CCC[C@@H]([NH2+][C@H](c2ccc(F)cc2)C2CC2)C1	ZINC000217918318	270085553	/nfs/dbraw/zinc/08/55/53/270085553.db2.gz	AGJJBWYTRRJDOO-SJORKVTESA-N	2	2	276.399	3.351	10	70		CGIELP
CC[N@H+]1CCC[C@@H]([NH2+][C@H](c2ccc(F)cc2)C2CC2)C1	ZINC000217918318	270085554	/nfs/dbraw/zinc/08/55/54/270085554.db2.gz	AGJJBWYTRRJDOO-SJORKVTESA-N	2	2	276.399	3.351	10	70		CGIELP
CC[N@@H+]1CCC[C@@H]([NH2+][C@H](c2ccccc2)C(C)C)C1	ZINC000217918149	270085595	/nfs/dbraw/zinc/08/55/95/270085595.db2.gz	GUVIKUJXSNATIA-SJORKVTESA-N	2	2	260.425	3.458	10	70		CGIELP
CC[N@H+]1CCC[C@@H]([NH2+][C@H](c2ccccc2)C(C)C)C1	ZINC000217918149	270085596	/nfs/dbraw/zinc/08/55/96/270085596.db2.gz	GUVIKUJXSNATIA-SJORKVTESA-N	2	2	260.425	3.458	10	70		CGIELP
c1ccc(NC[C@H]2CC[N@@H+](CCC3CCCC3)C2)[nH+]c1	ZINC000160083839	372211131	/nfs/dbraw/zinc/21/11/31/372211131.db2.gz	GSRQTZMBQOFGBB-MRXNPFEDSA-N	2	2	273.424	3.396	10	70		CGIELP
c1ccc(NC[C@H]2CC[N@H+](CCC3CCCC3)C2)[nH+]c1	ZINC000160083839	372211136	/nfs/dbraw/zinc/21/11/36/372211136.db2.gz	GSRQTZMBQOFGBB-MRXNPFEDSA-N	2	2	273.424	3.396	10	70		CGIELP
c1ccc(NC[C@@H]2CC[N@@H+](CCC3CCCC3)C2)[nH+]c1	ZINC000160083721	372210975	/nfs/dbraw/zinc/21/09/75/372210975.db2.gz	GSRQTZMBQOFGBB-INIZCTEOSA-N	2	2	273.424	3.396	10	70		CGIELP
c1ccc(NC[C@@H]2CC[N@H+](CCC3CCCC3)C2)[nH+]c1	ZINC000160083721	372210981	/nfs/dbraw/zinc/21/09/81/372210981.db2.gz	GSRQTZMBQOFGBB-INIZCTEOSA-N	2	2	273.424	3.396	10	70		CGIELP
C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)c1ccco1	ZINC000160217091	372226203	/nfs/dbraw/zinc/22/62/03/372226203.db2.gz	XEXDJDPGNYJVSM-ZOBUZTSGSA-N	2	2	299.418	3.236	10	70		CGIELP