smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=S(=O)([N-]CC[C@@H](O)c1ccsc1)c1cccs1	ZINC000217535137	402292962	/nfs/dbraw/zinc/29/29/62/402292962.db2.gz	UGMBQJDTYCNCFD-SNVBAGLBSA-N	-1	3	303.430	2.212	50	70		DEIAHM
Cc1noc(C)c1C[C@H](C)[N-]S(=O)(=O)c1cccs1	ZINC000159902904	197372108	/nfs/dbraw/zinc/37/21/08/197372108.db2.gz	LVUGTBZENLNCCG-QMMMGPOBSA-N	-1	3	300.405	2.262	50	70		DEIAHM
Cc1noc(C)c1C[C@@H](C)[N-]S(=O)(=O)c1cccs1	ZINC000159902775	197371888	/nfs/dbraw/zinc/37/18/88/197371888.db2.gz	LVUGTBZENLNCCG-MRVPVSSYSA-N	-1	3	300.405	2.262	50	70		DEIAHM
Cc1oncc1[N-]C(=O)c1cc(N2CCNC2=O)c(F)cc1F	ZINC000160928252	355967731	/nfs/dbraw/zinc/96/77/31/355967731.db2.gz	RHZBVLRBRIGZLR-UHFFFAOYSA-N	-1	3	322.271	2.043	50	70		DEIAHM
Cc1nnc(CNC(=O)c2c[n-]c3cc(Cl)ccc3c2=O)o1	ZINC000217942318	402294399	/nfs/dbraw/zinc/29/43/99/402294399.db2.gz	QCXNKGGDMWFHFT-UHFFFAOYSA-N	-1	3	318.720	2.215	50	70		DEIAHM
CC(C)Cc1cc(C(=O)N(C)[C@H](C)c2ccncc2)[n-]c(=O)n1	ZINC000216957090	402290771	/nfs/dbraw/zinc/29/07/71/402290771.db2.gz	RLXGYKYHIGTEQX-GFCCVEGCSA-N	-1	3	314.389	2.197	50	70		DEIAHM
COc1ccc2c(c1)[n-]cc(C(=O)NCCc1ccncc1)c2=O	ZINC000218205468	402295014	/nfs/dbraw/zinc/29/50/14/402295014.db2.gz	ZYCLUXNBYYOELR-UHFFFAOYSA-N	-1	3	323.352	2.317	50	70		DEIAHM
O=S(=O)([N-]CC[C@H](O)c1ccsc1)c1cccs1	ZINC000217535053	402292858	/nfs/dbraw/zinc/29/28/58/402292858.db2.gz	UGMBQJDTYCNCFD-JTQLQIEISA-N	-1	3	303.430	2.212	50	70		DEIAHM
CCCN(C[C@@H]1CCCO1)C(=O)c1cc(C(C)(C)C)nc(=O)[n-]1	ZINC000217062607	201509217	/nfs/dbraw/zinc/50/92/17/201509217.db2.gz	MPSFIKZJWLPJIZ-LBPRGKRZSA-N	-1	3	321.421	2.099	50	70		DEIAHM
COc1ccc2[n-]cc(C(=O)NCC3CCOCC3)c(=O)c2c1	ZINC000218382796	402295696	/nfs/dbraw/zinc/29/56/96/402295696.db2.gz	CKGWMKWTCBVZLG-UHFFFAOYSA-N	-1	3	316.357	2.105	50	70		DEIAHM
CCn1cnnc1CCNC(=O)c1c([O-])ccc2ccccc21	ZINC000218270064	402295604	/nfs/dbraw/zinc/29/56/04/402295604.db2.gz	SZMWLUONASWFJI-UHFFFAOYSA-N	-1	3	310.357	2.129	50	70		DEIAHM
Cc1ccc(F)c(OCC(=O)Nc2nnc(C(F)(F)F)[n-]2)c1	ZINC000160803336	402361250	/nfs/dbraw/zinc/36/12/50/402361250.db2.gz	NMSFPGLJUVWLIP-UHFFFAOYSA-N	-1	3	318.230	2.289	50	70		DEIAHM
Cc1ccc(F)c(OCC(=O)Nc2nc(C(F)(F)F)n[n-]2)c1	ZINC000160803336	402361252	/nfs/dbraw/zinc/36/12/52/402361252.db2.gz	NMSFPGLJUVWLIP-UHFFFAOYSA-N	-1	3	318.230	2.289	50	70		DEIAHM
CC(C)Cc1cc(C(=O)N(C)[C@@H](C)c2ccncc2)[n-]c(=O)n1	ZINC000216957075	402290746	/nfs/dbraw/zinc/29/07/46/402290746.db2.gz	RLXGYKYHIGTEQX-LBPRGKRZSA-N	-1	3	314.389	2.197	50	70		DEIAHM
CC(=O)c1ccc2c(c1[O-])[C@H](c1cnn3cccnc13)CC(=O)O2	ZINC000218259208	277114387	/nfs/dbraw/zinc/11/43/87/277114387.db2.gz	JJBIKUGZXVPUMO-NSHDSACASA-N	-1	3	323.308	2.079	50	70		DEIAHM
CCCn1nc(C)c(CNC(=O)c2ccc3n[n-]nc3c2)c1C	ZINC000218100256	402294844	/nfs/dbraw/zinc/29/48/44/402294844.db2.gz	UFCJDCQFOMKQDV-UHFFFAOYSA-N	-1	3	312.377	2.111	50	70		DEIAHM
O=C(NCC1CCOCC1)c1c[n-]c2ccc(F)cc2c1=O	ZINC000218121513	402295072	/nfs/dbraw/zinc/29/50/72/402295072.db2.gz	ULVRKSQXDVZOFL-UHFFFAOYSA-N	-1	3	304.321	2.236	50	70		DEIAHM
COc1ccc2[n-]cc(C(=O)NCCc3ccncc3)c(=O)c2c1	ZINC000218290780	201534654	/nfs/dbraw/zinc/53/46/54/201534654.db2.gz	PNKIPKOANNHFAR-UHFFFAOYSA-N	-1	3	323.352	2.317	50	70		DEIAHM
CC(=O)c1ccc2c(c1[O-])[C@@H](c1cnn3cccnc13)CC(=O)O2	ZINC000218259264	277114507	/nfs/dbraw/zinc/11/45/07/277114507.db2.gz	JJBIKUGZXVPUMO-LLVKDONJSA-N	-1	3	323.308	2.079	50	70		DEIAHM
COc1ccc2[n-]cc(C(=O)NCCc3ccccn3)c(=O)c2c1	ZINC000218157675	402294688	/nfs/dbraw/zinc/29/46/88/402294688.db2.gz	FRDVZAFXGDWGGL-UHFFFAOYSA-N	-1	3	323.352	2.317	50	70		DEIAHM