smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN(C)c1ccc(CN2CC[C@]3(C2)COCc2c(C(=O)NC4CCC4)[nH]nc23)cc1	ZINC000306144004	568905392	/nfs/dbraw/zinc/90/53/92/568905392.db2.gz	YTCHYLMTNYZYTK-QHCPKHFHSA-N	0	3	409.534	2.432	40	10		HECBHN
COc1ccc(N2CCN(C(=O)CN3CCC[C@H](Cn4ccnc4C)C3)CC2)cc1	ZINC000019658099	558950034	/nfs/dbraw/zinc/95/00/34/558950034.db2.gz	YODOCWGYUUOWMV-FQEVSTJZSA-N	0	3	411.550	2.261	40	10		HECBHN
COc1ccc(/C=C2\SC(=S)N(CC(=O)OCCN(C)C)C2=O)cc1OC	ZINC000005376036	557649034	/nfs/dbraw/zinc/64/90/34/557649034.db2.gz	QNXYHRBVZIRIFQ-GDNBJRDFSA-N	0	3	410.517	2.010	40	10		HECBHN
CC[C@H]1C[N@H+](Cc2ccc(OC)cc2[O-])CC[C@H]1CC(=O)NCCN1CCOCC1	ZINC000020503974	560093569	/nfs/dbraw/zinc/09/35/69/560093569.db2.gz	JUTUWLWQIPWKTJ-OALUTQOASA-N	0	3	419.566	2.087	40	10	biogenic,in-vitro	HECBHN
CC[C@H]1C[N@@H+](Cc2ccc(OC)cc2[O-])CC[C@H]1CC(=O)NCCN1CCOCC1	ZINC000020503974	560093571	/nfs/dbraw/zinc/09/35/71/560093571.db2.gz	JUTUWLWQIPWKTJ-OALUTQOASA-N	0	3	419.566	2.087	40	10	biogenic,in-vitro	HECBHN
COc1ccc(N2CCN(C(=O)CN3CCC[C@@H](Cn4ccnc4C)C3)CC2)cc1	ZINC000019658097	558950091	/nfs/dbraw/zinc/95/00/91/558950091.db2.gz	YODOCWGYUUOWMV-HXUWFJFHSA-N	0	3	411.550	2.261	40	10		HECBHN
Cc1ccc(C[NH+]2CCC(c3nc4c(c(=O)[n-]3)CN(C(=O)C3CC3)CC4)CC2)c(O)c1	ZINC000072399004	524439660	/nfs/dbraw/zinc/43/96/60/524439660.db2.gz	JZSLADRQXGRMRT-UHFFFAOYSA-N	0	3	422.529	2.458	40	10		HECBHN
CN(C)c1ccc(CN[C@H]2CO[C@@H]3[C@H](OC(=O)NC4CCCCC4)CO[C@H]23)cc1	ZINC000008579253	291204960	/nfs/dbraw/zinc/20/49/60/291204960.db2.gz	LWLYZVKALKDCQU-DOIPELPJSA-N	0	3	403.523	2.436	40	10	biogenic,in-vitro	HECBHN
CN1CCN(Cc2nc(C3(O)CCN(Cc4ccccc4O)CC3)cs2)CC1	ZINC000225471976	291205484	/nfs/dbraw/zinc/20/54/84/291205484.db2.gz	ZHLRMWBIHYESCP-UHFFFAOYSA-N	0	3	402.564	2.080	40	10	biogenic,in-vitro	HECBHN
C[C@]1(N(CCNCc2ccc(N)cc2)Cc2ccc(N)cc2)CCS(=O)(=O)C1	ZINC000575420411	569026011	/nfs/dbraw/zinc/02/60/11/569026011.db2.gz	HQFDIBXLIWQTOY-NRFANRHFSA-N	0	3	402.564	2.020	40	10		HECBHN
CN(C)c1ccc(CN2CC[C@@]3(C2)COCc2c(C(=O)NC4CCC4)[nH]nc23)cc1	ZINC000306144003	568905312	/nfs/dbraw/zinc/90/53/12/568905312.db2.gz	YTCHYLMTNYZYTK-HSZRJFAPSA-N	0	3	409.534	2.432	40	10		HECBHN
CCN(CC)CCn1c(C)nc2c1C(=O)c1nc(C)n(CCN(CC)CC)c1C2=O	ZINC000001691618	557281125	/nfs/dbraw/zinc/28/11/25/557281125.db2.gz	CDRRQRSBNBNLHB-UHFFFAOYSA-N	0	3	414.554	2.155	40	10		HECBHN
C[C@@]1(N(CCNCc2ccc(N)cc2)Cc2ccc(N)cc2)CCS(=O)(=O)C1	ZINC000575420412	569026006	/nfs/dbraw/zinc/02/60/06/569026006.db2.gz	HQFDIBXLIWQTOY-OAQYLSRUSA-N	0	3	402.564	2.020	40	10		HECBHN
[O-]c1ccccc1C[NH2+][C@@H]1[C@H]2CO[C@H](O2)[C@H](N2CCC(Cc3ccccc3)CC2)[C@H]1O	ZINC000012483452	291213923	/nfs/dbraw/zinc/21/39/23/291213923.db2.gz	LWPDHSDVCAQSQH-UUFXTFJOSA-N	0	3	424.541	2.290	40	10	biogenic,in-vitro	HECBHN