smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=C(C)C[N@@H+](CC)Cc1ccc(OC)c(OC[C@H](O)CN2CC[NH+](C)CC2)c1	ZINC000019839339	518599259	/nfs/dbraw/zinc/59/92/59/518599259.db2.gz	QCPHFZJUNQTENZ-HXUWFJFHSA-N	2	0	391.556	2.080	50	30		GEEARP
COC[C@@]12CC[C@@H]([NH+]3CCOCC3)C[C@H]1CC[N@H+](Cc1cc(C#N)n(C)c1)C2	ZINC000072163478	205314576	/nfs/dbraw/zinc/31/45/76/205314576.db2.gz	GNFMDBYEFAWDOI-SJBKTWHCSA-N	2	0	386.540	2.236	50	30		GEEARP
CC(C)c1ccc(C[N@@H+]2CCC[C@@]3(CCN(C(=O)CN4CC(=O)[O+]=N4)C3)C2)cc1	ZINC000015074598	570878398	/nfs/dbraw/zinc/87/83/98/570878398.db2.gz	SCILVCAWLWZVAS-JOCHJYFZSA-O	2	0	399.515	2.306	50	30		GEEARP
C=C(C)C[N@@H+](CC)Cc1cccc(OC[C@H](O)CN2CC[NH+](CC)CC2)c1	ZINC000020539997	570283504	/nfs/dbraw/zinc/28/35/04/570283504.db2.gz	ZTPCWTKGTFUBBV-OAQYLSRUSA-N	2	0	375.557	2.462	50	30		GEEARP
C=C(C)C[N@@H+](C)Cc1ccc(OC[C@@H](O)CN2CC[NH+](CC)CC2)c(OC)c1	ZINC000020256232	518588909	/nfs/dbraw/zinc/58/89/09/518588909.db2.gz	SSMWNEBWAWQRFL-FQEVSTJZSA-N	2	0	391.556	2.080	50	30		GEEARP
C=C(C)C[N@@H+](CC)Cc1cccc(OC[C@@H](O)CN2CC[NH+](CC)CC2)c1	ZINC000020539999	570283655	/nfs/dbraw/zinc/28/36/55/570283655.db2.gz	ZTPCWTKGTFUBBV-NRFANRHFSA-N	2	0	375.557	2.462	50	30		GEEARP
Cc1c(C[NH2+]Cc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)cc(C#N)n1C	ZINC000108421131	570988425	/nfs/dbraw/zinc/98/84/25/570988425.db2.gz	WGYNLWHQLXCCTQ-IBGZPJMESA-N	2	0	379.508	2.192	50	30		GEEARP
N#CC1CC[NH+](Cc2ccccc2OC[C@H](O)C[NH+]2CCSCC2)CC1	ZINC000095497260	526440083	/nfs/dbraw/zinc/44/00/83/526440083.db2.gz	HJLXIRNGDAFVIC-LJQANCHMSA-N	2	0	375.538	2.211	50	30		GEEARP
CC(C)c1ccc(C[N@@H+]2CCC[C@]3(CCN(C(=O)CN4CC(=O)[O+]=N4)C3)C2)cc1	ZINC000015074599	570878392	/nfs/dbraw/zinc/87/83/92/570878392.db2.gz	SCILVCAWLWZVAS-QFIPXVFZSA-O	2	0	399.515	2.306	50	30		GEEARP
Cc1c(C[NH2+]Cc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)cc(C#N)n1C	ZINC000108421133	570988326	/nfs/dbraw/zinc/98/83/26/570988326.db2.gz	WGYNLWHQLXCCTQ-LJQANCHMSA-N	2	0	379.508	2.192	50	30		GEEARP
C=C(C)C[N@@H+](C)Cc1ccc(OC[C@H](O)CN2CC[NH+](CC)CC2)c(OC)c1	ZINC000020256229	518592551	/nfs/dbraw/zinc/59/25/51/518592551.db2.gz	SSMWNEBWAWQRFL-HXUWFJFHSA-N	2	0	391.556	2.080	50	30		GEEARP
N#Cc1ccccc1C[N@@H+]1CCC2(CCN(Cc3ncc[nH]3)CC2)[C@H](CO)C1	ZINC000097244013	570910792	/nfs/dbraw/zinc/91/07/92/570910792.db2.gz	DMQVKHHXRYVOEN-FQEVSTJZSA-N	2	0	379.508	2.378	50	30		GEEARP
N#Cc1ccccc1C[N@@H+]1CCC2(CCN(Cc3ncc[nH]3)CC2)[C@@H](CO)C1	ZINC000097244014	570911040	/nfs/dbraw/zinc/91/10/40/570911040.db2.gz	DMQVKHHXRYVOEN-HXUWFJFHSA-N	2	0	379.508	2.378	50	30		GEEARP
C=C(C)C[N@@H+](CC)Cc1ccc(OC)c(OC[C@@H](O)CN2CC[NH+](C)CC2)c1	ZINC000019839337	518599731	/nfs/dbraw/zinc/59/97/31/518599731.db2.gz	QCPHFZJUNQTENZ-FQEVSTJZSA-N	2	0	391.556	2.080	50	30		GEEARP
C=C(C)C[N@@H+](C)Cc1ccc(OC)c(OC[C@@H](O)CN2CCC[NH+](C)CC2)c1	ZINC000019608473	518590008	/nfs/dbraw/zinc/59/00/08/518590008.db2.gz	XPOOXOOCEADQSS-FQEVSTJZSA-N	2	0	391.556	2.080	50	30		GEEARP
C=C(C)C[NH+](CC)[C@H]1CCc2c(c(C(=O)N3CCC[N@H+](C)CC3)nn2CC)C1	ZINC000014743772	212100367	/nfs/dbraw/zinc/10/03/67/212100367.db2.gz	RMLNBOLSMXPTHQ-SFHVURJKSA-N	2	0	387.572	2.436	50	30		GEEARP
N#CC1CC[NH+](Cc2ccccc2OC[C@@H](O)C[NH+]2CCSCC2)CC1	ZINC000095497261	526440654	/nfs/dbraw/zinc/44/06/54/526440654.db2.gz	HJLXIRNGDAFVIC-IBGZPJMESA-N	2	0	375.538	2.211	50	30		GEEARP
C=C(C)C[N@@H+](C)Cc1ccc(OC)c(OC[C@H](O)CN2CCC[NH+](C)CC2)c1	ZINC000019608475	518588567	/nfs/dbraw/zinc/58/85/67/518588567.db2.gz	XPOOXOOCEADQSS-HXUWFJFHSA-N	2	0	391.556	2.080	50	30		GEEARP