smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc(NC(=O)C(NNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])=C2C(=O)NC(=O)NC2=O)cc1	ZINC000102918692	130388253	/nfs/dbraw/zinc/38/82/53/130388253.db2.gz	VSJZNBQOTJKDQU-IWIPYMOSSA-N	0	2	469.370	1.200	40	30		JDEBLN
COc1nc(N=NCc2cc(Br)cc([N+](=O)[O-])c2O)nc(N2CCOCC2)n1	ZINC000016248177	556131016	/nfs/dbraw/zinc/13/10/16/556131016.db2.gz	ZRXQABREQBSNME-CAOOACKPSA-N	0	2	454.241	1.539	40	30		JDEBLN
Cc1ccc(NC(=O)C(NNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])=C2C(=O)NC(=O)NC2=O)cc1	ZINC000016957976	556189205	/nfs/dbraw/zinc/18/92/05/556189205.db2.gz	VSJZNBQOTJKDQU-BUVRLJJBSA-N	0	2	469.370	1.200	40	30		JDEBLN
Cn1c(N=NCc2cc(Br)c(O)c(Br)c2)nc2c1c(=O)n(C)c(=O)n2C	ZINC000059488835	569605528	/nfs/dbraw/zinc/60/55/28/569605528.db2.gz	RWDQWHSEXDILIX-NGYBGAFCSA-N	0	2	486.124	1.647	40	30		JDEBLN
Cn1c(NN=Cc2cc(Br)c(O)c(Br)c2)nc2c1c(=O)n(C)c(=O)n2C	ZINC000059488835	569605529	/nfs/dbraw/zinc/60/55/29/569605529.db2.gz	RWDQWHSEXDILIX-NGYBGAFCSA-N	0	2	486.124	1.647	40	30		JDEBLN
COc1ccc(NC=C2C(=O)NC(=O)N(c3ccc(I)cc3)C2=O)nn1	ZINC000408534133	570189361	/nfs/dbraw/zinc/18/93/61/570189361.db2.gz	LLAZIFDALPTFIP-NSHDSACASA-N	0	2	465.207	1.691	40	30		JDEBLN
CCCCCN1c2ccccc2[C@@]2(C1=O)c1c(nc(N3CCOCC3)[nH]c1=O)NC(O)=C2C#N	ZINC000040385307	569824326	/nfs/dbraw/zinc/82/43/26/569824326.db2.gz	LSMRYEDWUHQDDY-GYCJOSAFSA-N	0	2	462.510	1.601	40	30		JDEBLN
CCCCCN1c2ccccc2[C@@]2(C1=O)c1c(nc(N3CCOCC3)[nH]c1=O)NC(O)=C2C#N	ZINC000040385301	569824346	/nfs/dbraw/zinc/82/43/46/569824346.db2.gz	LSMRYEDWUHQDDY-FYSMJZIKSA-N	0	2	462.510	1.601	40	30		JDEBLN
Cn1c(O)c(C(c2ccc(C#N)cc2)c2c(O)n(C)c(=S)n(C)c2=O)c(=O)n(C)c1=S	ZINC000409096923	570126980	/nfs/dbraw/zinc/12/69/80/570126980.db2.gz	LARVFZQAKJAIFP-UHFFFAOYSA-N	0	2	457.537	1.683	40	30		JDEBLN
CCOC(=O)CSc1[nH]c(N=C(NC(=O)c2ccccc2)SC)c(C(N)=O)c1C(N)=O	ZINC000016682861	520809725	/nfs/dbraw/zinc/80/97/25/520809725.db2.gz	DIHYHAKRIBETOP-UHFFFAOYSA-N	0	2	463.541	1.648	40	30		JDEBLN
CC[NH+](CC)c1ccc(N2/C(=N/C(=O)COCC(=O)[O-])S[C@@H]3CS(=O)(=O)C[C@@H]32)cc1	ZINC000032503000	556437724	/nfs/dbraw/zinc/43/77/24/556437724.db2.gz	DMTWFIFYVHCQGH-HCKAZOGZSA-N	0	2	455.558	1.235	40	30		JDEBLN
CC[NH+](CC)c1ccc(N2/C(=N/C(=O)COCC(=O)[O-])S[C@H]3CS(=O)(=O)C[C@H]32)cc1	ZINC000032502994	556437752	/nfs/dbraw/zinc/43/77/52/556437752.db2.gz	DMTWFIFYVHCQGH-SBOQUQFBSA-N	0	2	455.558	1.235	40	30		JDEBLN
CC[NH+](CC)c1ccc(N2/C(=N/C(=O)COCC(=O)[O-])S[C@H]3CS(=O)(=O)C[C@@H]32)cc1	ZINC000032502996	520913944	/nfs/dbraw/zinc/91/39/44/520913944.db2.gz	DMTWFIFYVHCQGH-SFJAUFLASA-N	0	2	455.558	1.235	40	30		JDEBLN
CCOc1cc(CN=Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc([N+](=O)[O-])c1O	ZINC000059392131	195398512	/nfs/dbraw/zinc/39/85/12/195398512.db2.gz	DTTQUGOEBNZNCE-FYJGNVAPSA-N	0	2	474.478	1.003	40	30		JDEBLN
CC[NH+](CC)c1ccc(N2/C(=N/C(=O)COCC(=O)[O-])S[C@@H]3CS(=O)(=O)C[C@H]32)cc1	ZINC000032502998	556437799	/nfs/dbraw/zinc/43/77/99/556437799.db2.gz	DMTWFIFYVHCQGH-WZHXCRBMSA-N	0	2	455.558	1.235	40	30		JDEBLN
CCCCCN1c2ccccc2[C@]2(C1=O)c1c(nc(N3CCOCC3)[nH]c1=O)NC(O)=C2C#N	ZINC000040385304	569824391	/nfs/dbraw/zinc/82/43/91/569824391.db2.gz	LSMRYEDWUHQDDY-UPCLLVRISA-N	0	2	462.510	1.601	40	30		JDEBLN
COc1ccc(NC=C2C(=O)NC(=O)N(c3ccc(I)cc3)C2=O)nn1	ZINC000408534131	570189387	/nfs/dbraw/zinc/18/93/87/570189387.db2.gz	LLAZIFDALPTFIP-LLVKDONJSA-N	0	2	465.207	1.691	40	30		JDEBLN
CCCCCN1c2ccccc2[C@]2(C1=O)c1c(nc(N3CCOCC3)[nH]c1=O)NC(O)=C2C#N	ZINC000040385310	569824331	/nfs/dbraw/zinc/82/43/31/569824331.db2.gz	LSMRYEDWUHQDDY-VOIUYBSRSA-N	0	2	462.510	1.601	40	30		JDEBLN