smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1nc([C@H](NS(=O)(=O)c2cc(Br)c(C#N)cc2F)c2cnn(C)c2)no1	ZINC001475337504	1069443460	/nfs/dbraw/zinc/44/34/60/1069443460.db2.gz	LWHLLVVSOYUDEA-CQSZACIVSA-N	0	2	455.269	1.953	20	30		JDEDLN
COCCO[C@H](C)c1nnc(N2CCc3[nH]c(=O)c(C#N)cc3C2)n1C[C@@H](C(C)C)N1CCOCC1	ZINC001504969652	1072019119	/nfs/dbraw/zinc/01/91/19/1072019119.db2.gz	SPSFEDQOJLKWNC-GCJKJVERSA-N	0	2	499.616	1.894	20	30		JDEDLN
COCCO[C@@H](C)c1nnc(N2CCc3[nH]c(=O)c(C#N)cc3C2)n1C[C@H](C(C)C)N1CCOCC1	ZINC001504969653	1072019288	/nfs/dbraw/zinc/01/92/88/1072019288.db2.gz	SPSFEDQOJLKWNC-PGRDOPGGSA-N	0	2	499.616	1.894	20	30		JDEDLN
N#C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)Cn2[nH]cc3c(=O)ncnc2-3)CC1	ZINC001464964593	1067715744	/nfs/dbraw/zinc/71/57/44/1067715744.db2.gz	TZAYTKRQUYRRLN-MRXNPFEDSA-N	0	2	456.304	1.243	20	30		JDEDLN
Cc1nc([C@@H](NS(=O)(=O)c2cc(Br)c(C#N)cc2F)c2cnn(C)c2)no1	ZINC001475337502	1069443557	/nfs/dbraw/zinc/44/35/57/1069443557.db2.gz	LWHLLVVSOYUDEA-AWEZNQCLSA-N	0	2	455.269	1.953	20	30		JDEDLN
C#CCOCCNC(=O)c1cc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2OC)ccc1F	ZINC001466373108	1067881949	/nfs/dbraw/zinc/88/19/49/1067881949.db2.gz	KHLWINOQJUFLGM-UHFFFAOYSA-N	0	2	451.432	1.923	20	30		JDEDLN
C#CCN1CCN(C(=O)c2ccc(NC(=O)CC3SC(N4CCCC4)=NC3=O)cc2)CC1	ZINC001470907218	1068821817	/nfs/dbraw/zinc/82/18/17/1068821817.db2.gz	CJHOWWRUZADQPE-IBGZPJMESA-N	0	2	453.568	1.500	20	30		JDEDLN
C=CCn1c(=O)c2ccc(C(=O)NCCNS(=O)(=O)c3cccs3)cc2[nH]c1=S	ZINC001472534032	1069026270	/nfs/dbraw/zinc/02/62/70/1069026270.db2.gz	SYXRAKBTHOIDCK-UHFFFAOYSA-N	0	2	450.567	1.641	20	30		JDEDLN
COCCO[C@@H](C)c1nnc(N2CCc3[nH]c(=O)c(C#N)cc3C2)n1C[C@@H](C(C)C)N1CCOCC1	ZINC001504969651	1072018534	/nfs/dbraw/zinc/01/85/34/1072018534.db2.gz	SPSFEDQOJLKWNC-AVRDEDQJSA-N	0	2	499.616	1.894	20	30		JDEDLN
C=CCn1c(=O)c2ccc(C(=O)N3CCC(C(=O)NCC(=O)OCC)CC3)cc2[nH]c1=S	ZINC001466246666	1067871598	/nfs/dbraw/zinc/87/15/98/1067871598.db2.gz	CJBGNVPKSXRQMN-UHFFFAOYSA-N	0	2	458.540	1.403	20	30		JDEDLN
C=CCn1c(=O)c2ccc(C(=O)NCc3ccc(S(=O)(=O)CCO)cc3)cc2[nH]c1=S	ZINC001467801310	1068066853	/nfs/dbraw/zinc/06/68/53/1068066853.db2.gz	YRHXOROFCFTOLN-UHFFFAOYSA-N	0	2	459.549	1.567	20	30		JDEDLN
C#CCN1CCN(C(=O)c2ccc(NC(=O)CC3SC(N4CCCC4)=NC3=O)cc2)CC1	ZINC001470907219	1068821697	/nfs/dbraw/zinc/82/16/97/1068821697.db2.gz	CJHOWWRUZADQPE-LJQANCHMSA-N	0	2	453.568	1.500	20	30		JDEDLN
N#C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)Cn2[nH]cc3c(=O)ncnc2-3)CC1	ZINC001464964583	1067715851	/nfs/dbraw/zinc/71/58/51/1067715851.db2.gz	TZAYTKRQUYRRLN-INIZCTEOSA-N	0	2	456.304	1.243	20	30		JDEDLN
N#Cc1cccc(S(=O)(=O)NCC(=O)Nc2cc(F)cc(CNC(=O)C(F)(F)F)c2)c1	ZINC001472608160	1069038746	/nfs/dbraw/zinc/03/87/46/1069038746.db2.gz	UEHIEBOGBBEQQX-UHFFFAOYSA-N	0	2	458.393	1.793	20	30		JDEDLN
Cn1c(=O)[nH]c(N(CCN2CCOCC2)Cc2sccc2Br)c(C#N)c1=O	ZINC001472798349	1069048115	/nfs/dbraw/zinc/04/81/15/1069048115.db2.gz	HRISLZRNGQNOHF-UHFFFAOYSA-N	0	2	454.350	1.108	20	30		JDEDLN
COCCO[C@H](C)c1nnc(N2CCc3[nH]c(=O)c(C#N)cc3C2)n1C[C@H](C(C)C)N1CCOCC1	ZINC001504969654	1072019423	/nfs/dbraw/zinc/01/94/23/1072019423.db2.gz	SPSFEDQOJLKWNC-XMSQKQJNSA-N	0	2	499.616	1.894	20	30		JDEDLN