smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
N/C(=N/O)N1CCN(CCO)CC1	52833079	572400453	/nfs/dbraw/zinc/40/04/53/572400453.db2.gz	ONCQSVVJZGBRHP-UHFFFAOYSA-N	0	1	188.231	-1.700	40	30		AAEBMN
CC(=O)On1cc(F)c(=O)[nH]c1=O	1083182	166296196	/nfs/dbraw/zinc/29/61/96/166296196.db2.gz	XMVHMKJVBOLGHR-UHFFFAOYSA-N	0	1	188.114	-1.349	40	30		AAEBMN
N#CCCn1ncc(=O)[nH]c1=O	1584613	169095297	/nfs/dbraw/zinc/09/52/97/169095297.db2.gz	JXKCHRVBPVVZHZ-UHFFFAOYSA-N	0	1	166.140	-1.155	40	30		AAEBMN
NN=C1/C(=N/O)CCc2c1no[n+]2[O-]	5289806	169134577	/nfs/dbraw/zinc/13/45/77/169134577.db2.gz	QSNMOODWSWIBMV-MXJIWBSISA-N	0	1	197.154	-1.253	40	30		AAEBMN
N=C1NC(=O)C(=NO)C(=O)N1	8619223	169145492	/nfs/dbraw/zinc/14/54/92/169145492.db2.gz	FTURGSNQPANNFH-UHFFFAOYSA-N	0	1	156.101	-2.003	40	30		AAEBMN
NC(=O)/C=C\NC(=O)/C=N\O	104056761	169145936	/nfs/dbraw/zinc/14/59/36/169145936.db2.gz	QSQKMLSXKVSYMJ-DVWHOSDNSA-N	0	1	157.129	-1.438	40	30		AAEBMN
NC(=O)/C=C/NC(=O)/C=N\O	17354833	169146368	/nfs/dbraw/zinc/14/63/68/169146368.db2.gz	QSQKMLSXKVSYMJ-PKTZTGOHSA-N	0	1	157.129	-1.438	40	30		AAEBMN
NC(=O)/C=C\NC(=O)/C=N/O	104056765	169146400	/nfs/dbraw/zinc/14/64/00/169146400.db2.gz	QSQKMLSXKVSYMJ-CKRIMZSVSA-N	0	1	157.129	-1.438	40	30		AAEBMN
NC(=O)/C=C/NC(=O)/C=N/O	100139966	169146841	/nfs/dbraw/zinc/14/68/41/169146841.db2.gz	QSQKMLSXKVSYMJ-URUMLEIASA-N	0	1	157.129	-1.438	40	30		AAEBMN
[NH3+][C@@H](C=N[O-])[C@@H](O)[C@H](O)[C@H](O)CO	299888335	169243406	/nfs/dbraw/zinc/24/34/06/169243406.db2.gz	FVDKDBIDDMOXSP-SLPGGIOYSA-N	0	1	194.187	-3.151	40	30		AAEBMN
N[C@@H](C=NO)[C@@H](O)[C@H](O)[C@H](O)CO	299888335	169243407	/nfs/dbraw/zinc/24/34/07/169243407.db2.gz	FVDKDBIDDMOXSP-SLPGGIOYSA-N	0	1	194.187	-3.151	40	30		AAEBMN
OC[C@H](O)[C@H](O)[C@H](O)/C=N\O	104193162	169434244	/nfs/dbraw/zinc/43/42/44/169434244.db2.gz	OKDOWAAKOUUJPX-FMJHUMJUSA-N	0	1	165.145	-2.479	40	30		AAEBMN
CN1C(=O)C(=NO)C(=O)N(C)C1=O	5437919	207351013	/nfs/dbraw/zinc/35/10/13/207351013.db2.gz	BVSCIXRAKUKIET-UHFFFAOYSA-N	0	1	185.139	-1.133	40	30		AAEBMN
NC(=O)C1CCN(/C(N)=N/O)CC1	52833202	343309208	/nfs/dbraw/zinc/30/92/08/343309208.db2.gz	QTLRAKQXXXSMJX-UHFFFAOYSA-N	0	1	186.215	-1.112	40	30		AAEBMN
OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)C=NO	308120088	346256967	/nfs/dbraw/zinc/25/69/67/346256967.db2.gz	FQDOAQMGAIINEJ-KVTDHHQDSA-N	0	1	195.171	-3.118	40	30		AAEBMN
OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)/C=N/O	4691989	351332533	/nfs/dbraw/zinc/33/25/33/351332533.db2.gz	FQDOAQMGAIINEJ-VUZDSOHLSA-N	0	1	195.171	-3.118	40	30		AAEBMN
OC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)/C=N/O	4691988	351332580	/nfs/dbraw/zinc/33/25/80/351332580.db2.gz	FQDOAQMGAIINEJ-QPDPGCTKSA-N	0	1	195.171	-3.118	40	30		AAEBMN
OC[C@@H](O)[C@H](O)[C@H](O)[C@H](O)/C=N/O	4691987	351332593	/nfs/dbraw/zinc/33/25/93/351332593.db2.gz	FQDOAQMGAIINEJ-XZNAQROKSA-N	0	1	195.171	-3.118	40	30		AAEBMN
OC[C@@H](O)[C@H](O)[C@H](O)/C=N/O	4783295	351333381	/nfs/dbraw/zinc/33/33/81/351333381.db2.gz	OKDOWAAKOUUJPX-MKADQVAJSA-N	0	1	165.145	-2.479	40	30		AAEBMN
OC[C@H](O)[C@H](O)[C@H](O)/C=N/O	4783294	351333397	/nfs/dbraw/zinc/33/33/97/351333397.db2.gz	OKDOWAAKOUUJPX-LACZDSEISA-N	0	1	165.145	-2.479	40	30		AAEBMN
OC[C@@H](O)[C@H](O)[C@H](O)/C=N\O	104193167	351710572	/nfs/dbraw/zinc/71/05/72/351710572.db2.gz	OKDOWAAKOUUJPX-GQBSBPGKSA-N	0	1	165.145	-2.479	40	30		AAEBMN
OC[C@@H](O)[C@H](O)[C@H](O)[C@H](O)/C=N\O	104328988	527584890	/nfs/dbraw/zinc/58/48/90/527584890.db2.gz	FQDOAQMGAIINEJ-JSPGGSMTSA-N	0	1	195.171	-3.118	40	30		AAEBMN
OC[C@H](O)[C@H](O)[C@H](O)[C@H](O)/C=N\O	104328984	527612033	/nfs/dbraw/zinc/61/20/33/527612033.db2.gz	FQDOAQMGAIINEJ-QZVYSEDRSA-N	0	1	195.171	-3.118	40	30		AAEBMN