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@@H]1c2ccc(O)c(O)c2CC[N@H+]1C	85588719	574416677	/nfs/dbraw/zinc/41/66/77/574416677.db2.gz	AASFZUCQPYZSBW-SSDOTTSWSA-N	1	0	193.246	1.647	1	10	endogenous,in-man	ADCFRO
C=C[O+]=NN(O)N(CC)CC	1535785	166211029	/nfs/dbraw/zinc/21/10/29/166211029.db2.gz	PXBXWWPIODQCHK-CLFYSBASSA-N	1	0	159.189	1.281	1	10		ADCFRO
CC(=[NH2+])Nc1ccc(N)cc1	26721493	166230860	/nfs/dbraw/zinc/23/08/60/166230860.db2.gz	ZGVXFKBZIVMYPJ-UHFFFAOYSA-N	1	0	149.197	1.678	1	10		ADCFRO
CC[NH2+][C@@H]1Cc2ccc(O)c(O)c2C1	29229003	167293460	/nfs/dbraw/zinc/29/34/60/167293460.db2.gz	DHGRUMOVOJWPBZ-MRVPVSSYSA-N	1	0	193.246	1.175	1	10		ADCFRO
CC[NH2+][C@H]1Cc2ccc(O)c(O)c2C1	29229010	167303793	/nfs/dbraw/zinc/30/37/93/167303793.db2.gz	DHGRUMOVOJWPBZ-QMMMGPOBSA-N	1	0	193.246	1.175	1	10		ADCFRO
CCOC(=O)C([N+]#N)[Si](C)(C)C	195466786	167323142	/nfs/dbraw/zinc/32/31/42/167323142.db2.gz	UFHQFLKHMOOFIK-UHFFFAOYSA-N	1	0	186.287	1.098	1	10		ADCFRO
C[NH+](C)C1Cc2cc(O)c(O)cc2C1	29229785	167830150	/nfs/dbraw/zinc/83/01/50/167830150.db2.gz	XFBAUAQTHKEQNJ-UHFFFAOYSA-N	1	0	193.246	1.127	1	10		ADCFRO
[NH3+][C@@H]1C[C@H]2C[C@@H]1c1cc(O)c(O)cc12	26146034	169259733	/nfs/dbraw/zinc/25/97/33/169259733.db2.gz	QPAZOFORCJMYGG-JISRMSBWSA-N	1	0	191.230	1.400	1	10		ADCFRO
[NH3+][C@@H]1C[C@H]2C[C@@H]1c1ccc(O)c(O)c12	27192775	169259979	/nfs/dbraw/zinc/25/99/79/169259979.db2.gz	ZQYGMDJAMQSGGK-LPBLVHEISA-N	1	0	191.230	1.400	1	10		ADCFRO
[NH3+][C@@H]1C[C@H]2C[C@@H]1c1c2ccc(O)c1O	27185046	169260214	/nfs/dbraw/zinc/26/02/14/169260214.db2.gz	HMWASRAMRZXLCY-MHSYXAOVSA-N	1	0	191.230	1.400	1	10		ADCFRO
[NH3+][C@H]1C[C@H]2C[C@@H]1c1cc(O)c(O)cc12	27185058	169278951	/nfs/dbraw/zinc/27/89/51/169278951.db2.gz	QPAZOFORCJMYGG-CGMLFGJQSA-N	1	0	191.230	1.400	1	10		ADCFRO
[NH3+][C@H]1C[C@H]2C[C@@H]1c1ccc(O)c(O)c12	27192781	169279434	/nfs/dbraw/zinc/27/94/34/169279434.db2.gz	ZQYGMDJAMQSGGK-NJUXHZRNSA-N	1	0	191.230	1.400	1	10		ADCFRO
C[N+]1(C)CCc2cc(O)c(O)cc2C1	2001749	171003311	/nfs/dbraw/zinc/00/33/11/171003311.db2.gz	BQRIKFLUSSWVLE-UHFFFAOYSA-O	1	0	194.254	1.230	1	10		ADCFRO
CC[O+]=NN(O)N(CC)CC	31829995	171049760	/nfs/dbraw/zinc/04/97/60/171049760.db2.gz	SRJKODOVPLCCQN-CLFYSBASSA-N	1	0	161.205	1.157	1	10		ADCFRO
C[N+]1(C)C=Cc2cc(O)c(O)cc21	95626166	717139331	/nfs/dbraw/zinc/13/93/31/717139331.db2.gz	AVORYUIJMLOMPW-UHFFFAOYSA-O	1	0	178.211	1.649	1	10	in-man	ADCFRO