smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
NS(=O)(=O)c1ccc(CCNC(=O)C[N+]23CCN(CC2)CC3)cc1	ZINC000006652138	485345637	/nfs/dbraw/zinc/34/56/37/485345637.db2.gz	AUSVOEDNUVMMJI-UHFFFAOYSA-O	1	0	353.468	-0.861	50	30		FBEARO
C=CCN1C(=O)[C@@H]2[C@H](CCC(N)=O)[NH2+][C@@]3(c4ccccc4NC3=O)[C@H]2C1=O	ZINC000016026452	484542649	/nfs/dbraw/zinc/54/26/49/484542649.db2.gz	JGTYMOHQNZJJJV-JQZVDIJISA-N	1	0	368.393	-0.142	50	30		FBEARO
CNC(=O)[C@@H]1C[C@@H](n2cc(CNC(=O)c3ccc(C#N)cc3)nn2)C[NH2+]1	ZINC000067771232	484768544	/nfs/dbraw/zinc/76/85/44/484768544.db2.gz	WRSSGBPUAPLWOE-CABCVRRESA-N	1	0	353.386	-0.271	50	30		FBEARO
CNC(=O)[C@@H]1C[C@H](n2cc(CNC(=O)c3ccc(C#N)cc3)nn2)C[NH2+]1	ZINC000067851440	221295374	/nfs/dbraw/zinc/29/53/74/221295374.db2.gz	WRSSGBPUAPLWOE-GJZGRUSLSA-N	1	0	353.386	-0.271	50	30		FBEARO
C=C(C)CNc1nc(N)nc2c1CCN(C(=O)CN1CC[NH2+]CC1)CC2	ZINC000072431381	484004589	/nfs/dbraw/zinc/00/45/89/484004589.db2.gz	LYRAQWDDVCZHCT-UHFFFAOYSA-N	1	0	359.478	-0.121	50	30		FBEARO
CCOC(=O)[C@H]1C[C@H](C)CCN1C(=O)[C@H]([NH3+])CCCNC(N)=N[N+](=O)[O-]	ZINC000085224722	483767483	/nfs/dbraw/zinc/76/74/83/483767483.db2.gz	FQJRPNXNFXYTHZ-IJLUTSLNSA-N	1	0	372.426	-0.620	50	30		FBEARO
CN1CC[NH+](C[C@@H]2CN(C(=O)C3(C#N)CCOCC3)C[C@@H]2CO)CC1	ZINC000091663745	483796039	/nfs/dbraw/zinc/79/60/39/483796039.db2.gz	GAGJRKHWNOWOAA-HZPDHXFCSA-N	1	0	350.463	-0.379	50	30		FBEARO
C=CCN1C(=O)[C@H]2[C@H](CCC(N)=O)[NH2+][C@]3(c4ccccc4NC3=O)[C@H]2C1=O	ZINC000100783012	222252739	/nfs/dbraw/zinc/25/27/39/222252739.db2.gz	JGTYMOHQNZJJJV-JLMZAJLHSA-N	1	0	368.393	-0.142	50	30		FBEARO
C=CCN1C(=O)[C@@H]2[C@H](C1=O)[C@H](CCC(N)=O)[NH2+][C@]21c2ccccc2NC1=O	ZINC000101232415	206226539	/nfs/dbraw/zinc/22/65/39/206226539.db2.gz	JGTYMOHQNZJJJV-OUFKLWKOSA-N	1	0	368.393	-0.142	50	30		FBEARO
COc1ccc(S(=O)(=O)N2CCN(C(=O)CN(O)N=[O+]C)C2)cc1	ZINC000225415217	522737822	/nfs/dbraw/zinc/73/78/22/522737822.db2.gz	NIGTXJNMWBGLPZ-UHFFFAOYSA-N	1	0	359.384	-0.099	50	30		FBEARO
C=CCN1C(=O)[C@@H]2[C@H](C1=O)[C@H](CCC(N)=O)[NH2+][C@@]21c2ccccc2NC1=O	ZINC000229657124	206226530	/nfs/dbraw/zinc/22/65/30/206226530.db2.gz	JGTYMOHQNZJJJV-WGDDSDEBSA-N	1	0	368.393	-0.142	50	30		FBEARO
C=CCN1C(=O)[C@@H]2[C@H](CCC(N)=O)[NH2+][C@]3(c4ccccc4NC3=O)[C@H]2C1=O	ZINC000230039694	484916321	/nfs/dbraw/zinc/91/63/21/484916321.db2.gz	JGTYMOHQNZJJJV-DKEWWPDHSA-N	1	0	368.393	-0.142	50	30		FBEARO
C=CCNC(=O)CN1CCN(C(=O)c2nnn([C@H]3CC[NH2+]C3)c2C)CC1	ZINC000662669551	483906225	/nfs/dbraw/zinc/90/62/25/483906225.db2.gz	FDVOVYIUKZXTES-AWEZNQCLSA-N	1	0	361.450	-0.819	50	30		FBEARO
C=CCNC(=O)CN1CCN(C(=O)c2nnn([C@@H]3CC[NH2+]C3)c2C)CC1	ZINC000662669553	483906441	/nfs/dbraw/zinc/90/64/41/483906441.db2.gz	FDVOVYIUKZXTES-CQSZACIVSA-N	1	0	361.450	-0.819	50	30		FBEARO