smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C(/C=C/c1ccc(/C=N/OCC[NH+]2CCOCC2)cc1)NO	ZINC000040408107	581101872	/nfs/dbraw/zinc/10/18/72/581101872.db2.gz	KKMCPDKFGBXVNL-WDGODYKHSA-N	1	2	319.361	0.888	1	30	in-vivo	DCEFLO
CONC(=S)N/N=C1/c2cc(C)ccc2N(C[NH+](C)C)C1=O	ZINC000066101577	184389056	/nfs/dbraw/zinc/38/90/56/184389056.db2.gz	SDKJMYCXGVCJLQ-QINSGFPZSA-N	1	2	321.406	0.590	1	30		DCEFLO
NC(=[NH2+])NC(=O)c1nc(Cl)c(NCc2cccnc2)nc1N	ZINC000073137976	191282383	/nfs/dbraw/zinc/28/23/83/191282383.db2.gz	IFBGVGGWMAMDKA-UHFFFAOYSA-N	1	2	320.744	0.133	1	30		DCEFLO
NC(=[NH2+])NC(=O)c1nc(Cl)c(NC2CCCCC2)nc1N	ZINC000040875732	183145403	/nfs/dbraw/zinc/14/54/03/183145403.db2.gz	MYZGOTATEQIBDV-UHFFFAOYSA-N	1	2	311.777	0.870	1	30		DCEFLO
CC(=O)N(C)CC#CC[NH+]1CCN(OC(=O)C(C)(C)C)CC1	ZINC000040639804	183113414	/nfs/dbraw/zinc/11/34/14/183113414.db2.gz	DDPMZBPTOSJJPB-UHFFFAOYSA-N	1	2	309.410	0.590	1	30		DCEFLO
[NH3+][C@@H](C(=O)NO)C(=O)NCCNc1cccc2ccccc21	ZINC000040585073	183105527	/nfs/dbraw/zinc/10/55/27/183105527.db2.gz	PBPQRHWLVNYKDJ-CYBMUJFWSA-N	1	2	302.334	0.201	1	30		DCEFLO
N#Cc1cnn(CC[N@@H+]2CCO[C@@H](CNc3cccnn3)C2)c1	ZINC000078893431	526778687	/nfs/dbraw/zinc/77/86/87/526778687.db2.gz	UIGUVUAZJAXRMU-AWEZNQCLSA-N	1	2	313.365	0.358	1	30		DCEFLO
N#Cc1cnn(CC[N@H+]2CCO[C@@H](CNc3cccnn3)C2)c1	ZINC000078893431	526778695	/nfs/dbraw/zinc/77/86/95/526778695.db2.gz	UIGUVUAZJAXRMU-AWEZNQCLSA-N	1	2	313.365	0.358	1	30		DCEFLO
C[NH+](C)CN1C(=O)/C(=N\NC(=S)NO)c2cc(F)ccc21	ZINC000066101711	184389497	/nfs/dbraw/zinc/38/94/97/184389497.db2.gz	BJEJVKNAUMLZDA-UVTDQMKNSA-N	1	2	311.342	0.249	1	30		DCEFLO
NC(N)=[NH+]/N=C\c1c(-c2ccccc2)nc2sc(N)nn12	ZINC000073139133	191283160	/nfs/dbraw/zinc/28/31/60/191283160.db2.gz	INMSSMZKQIDKCH-SOFYXZRVSA-N	1	2	300.351	0.647	1	30		DCEFLO
N#Cc1cnn(CC[N@@H+]2CCO[C@H](CNc3cccnn3)C2)c1	ZINC000078893430	526778266	/nfs/dbraw/zinc/77/82/66/526778266.db2.gz	UIGUVUAZJAXRMU-CQSZACIVSA-N	1	2	313.365	0.358	1	30		DCEFLO
N#Cc1cnn(CC[N@H+]2CCO[C@H](CNc3cccnn3)C2)c1	ZINC000078893430	526778272	/nfs/dbraw/zinc/77/82/72/526778272.db2.gz	UIGUVUAZJAXRMU-CQSZACIVSA-N	1	2	313.365	0.358	1	30		DCEFLO
NC(=[NH2+])NC(=O)c1nc(Cl)c(NCc2ccccc2)nc1N	ZINC000073129940	191281291	/nfs/dbraw/zinc/28/12/91/191281291.db2.gz	DOADNPZTVBOYFT-UHFFFAOYSA-N	1	2	319.756	0.738	1	30		DCEFLO
NC(=[NH2+])NC(=O)c1nc(Cl)c(NCc2ccccn2)nc1N	ZINC000073139363	191283176	/nfs/dbraw/zinc/28/31/76/191283176.db2.gz	VKJRORJILYHOSA-UHFFFAOYSA-N	1	2	320.744	0.133	1	30		DCEFLO
Cc1ccc2c(c1)/C(=N/NC(=S)NO)C(=O)N2C[NH+](C)C	ZINC000066101716	184389889	/nfs/dbraw/zinc/38/98/89/184389889.db2.gz	LWXCFBKZXXLUFT-KAMYIIQDSA-N	1	2	307.379	0.418	1	30		DCEFLO
[NH3+][C@H](C(=O)NO)C(=O)NCCNc1cccc2ccccc21	ZINC000040585071	183105870	/nfs/dbraw/zinc/10/58/70/183105870.db2.gz	PBPQRHWLVNYKDJ-ZDUSSCGKSA-N	1	2	302.334	0.201	1	30		DCEFLO
Oc1cccc(/C=N/NC(=S)NCC[NH+]2CCOCC2)c1O	ZINC000013878689	526356517	/nfs/dbraw/zinc/35/65/17/526356517.db2.gz	BKMPLPYINULWHA-MHWRWJLKSA-N	1	2	324.406	0.228	1	30		DCEFLO
NC(=[NH2+])NC(=O)c1nc(Cl)c(NCc2ccncc2)nc1N	ZINC000073137980	191283248	/nfs/dbraw/zinc/28/32/48/191283248.db2.gz	VRACERXXOWLDMB-UHFFFAOYSA-N	1	2	320.744	0.133	1	30		DCEFLO
NC(=[NH2+])NC(=O)c1nc(Cl)c(NCC(F)(F)F)nc1N	ZINC000040394656	183060686	/nfs/dbraw/zinc/06/06/86/183060686.db2.gz	WUHCQMHUPJIDNM-UHFFFAOYSA-N	1	2	311.655	0.100	1	30		DCEFLO