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](Cc1ccc(F)c(Br)c1)C(=O)N1CCC[C@@H]1C(=O)N(C)C	ZINC000160318547	551578711	/nfs/dbraw/zinc/57/87/11/551578711.db2.gz	CNWYRZKXSGLOIE-IAQYHMDHSA-N	0	0	385.277	2.846	10	70		GFIERN
O=C(N[C@@H]1CCc2ncnn2C1)N1CCSC[C@@H]1c1ccc(Cl)cc1	ZINC000161000874	551588715	/nfs/dbraw/zinc/58/87/15/551588715.db2.gz	JLZZPCSWDPBNSB-HUUCEWRRSA-N	0	0	377.901	2.746	10	70		GFIERN
C[C@@H](NC(=O)c1cc(I)c(F)cc1F)[C@H]1CCCO1	ZINC000161450391	551594607	/nfs/dbraw/zinc/59/46/07/551594607.db2.gz	IQLOIPHZBBAXHX-JMCQJSRRSA-N	0	0	381.160	2.867	10	70		GFIERN
CC(=O)N[C@@H]1CCCN(C(=O)[C@H](C)CC(=O)c2cccc(Br)c2)C1	ZINC000160965165	551588420	/nfs/dbraw/zinc/58/84/20/551588420.db2.gz	XJUKDKOHPDMUBG-MLGOLLRUSA-N	0	0	395.297	2.785	10	70		GFIERN
COC(=O)c1csc(NC(=O)C(=O)N[C@H]2CCc3cc(Cl)ccc32)c1	ZINC000161346531	551593263	/nfs/dbraw/zinc/59/32/63/551593263.db2.gz	AUESYLAXXRELJU-ZDUSSCGKSA-N	0	0	378.837	2.930	10	70		GFIERN
C[C@H](CNC(=O)c1cc(C(F)(F)F)ccc1Br)N1CCOCC1	ZINC000160832062	551585951	/nfs/dbraw/zinc/58/59/51/551585951.db2.gz	QADYIFGNXNFXFS-SNVBAGLBSA-N	0	0	395.219	2.918	10	70		GFIERN
Cc1nccn1C[C@@H]1CCCN1[C@H](C(N)=O)c1cccc(Br)c1	ZINC000160684711	551584408	/nfs/dbraw/zinc/58/44/08/551584408.db2.gz	RHOAKWLYLYZYQP-HOTGVXAUSA-N	0	0	377.286	2.645	10	70		GFIERN
C[C@@H](NC(=O)Cc1cc(F)ccc1Br)c1nnc2n1CCCC2	ZINC000160748812	551585004	/nfs/dbraw/zinc/58/50/04/551585004.db2.gz	UCNYFVWSCNUTEB-SNVBAGLBSA-N	0	0	381.249	2.936	10	70		GFIERN
CCOCCN1CCN(C(=O)Cc2cc(OC)ccc2Br)C[C@H]1C	ZINC000160497370	551581050	/nfs/dbraw/zinc/58/10/50/551581050.db2.gz	IVADEGHGVXDPJZ-CQSZACIVSA-N	0	0	399.329	2.569	10	70		GFIERN
C[C@@H](c1cc(Cl)ccc1Cl)n1nccc1NC(=O)NCCOCCO	ZINC000160819881	551585937	/nfs/dbraw/zinc/58/59/37/551585937.db2.gz	NKFDRFZSGUQLNR-NSHDSACASA-N	0	0	387.267	2.930	10	70		GFIERN
O=C(NC[C@@H]1CCCC[C@@H]1O)c1cc(I)c(F)cc1F	ZINC000159960474	551573474	/nfs/dbraw/zinc/57/34/74/551573474.db2.gz	VXOYRVBHPHKQRL-SDBXPKJASA-N	0	0	395.187	2.850	10	70		GFIERN
Cn1nccc1C1CCN([C@@H](C(N)=O)c2ccc(Br)cc2F)CC1	ZINC000160066756	551574887	/nfs/dbraw/zinc/57/48/87/551574887.db2.gz	LLAJJEIYYDWADP-MRXNPFEDSA-N	0	0	395.276	2.728	10	70		GFIERN
C[C@H](NC(=O)c1cc(I)c(F)cc1F)[C@@H]1CCCO1	ZINC000161450022	551594602	/nfs/dbraw/zinc/59/46/02/551594602.db2.gz	IQLOIPHZBBAXHX-MADCSZMMSA-N	0	0	381.160	2.867	10	70		GFIERN
COC(=O)c1csc(NC(=O)C(=O)N[C@@H]2CCC[C@H](C(F)(F)F)C2)c1	ZINC000159920072	551573149	/nfs/dbraw/zinc/57/31/49/551573149.db2.gz	IUNNFBFEMRULLI-VHSXEESVSA-N	0	0	378.372	2.711	10	70		GFIERN
C[C@@H](NC(=O)Cc1cc(Br)ccc1F)c1nnc2n1CCCC2	ZINC000160746003	551584832	/nfs/dbraw/zinc/58/48/32/551584832.db2.gz	YEBCOSXMFJVUJE-SNVBAGLBSA-N	0	0	381.249	2.936	10	70		GFIERN
O=C(N[C@@H]1CCc2ncnn2C1)N1CCSC[C@H]1c1ccc(Cl)cc1	ZINC000161000761	551588459	/nfs/dbraw/zinc/58/84/59/551588459.db2.gz	JLZZPCSWDPBNSB-CABCVRRESA-N	0	0	377.901	2.746	10	70		GFIERN
CN(C[C@@H](c1cccs1)N1CCOCC1)C(=O)C[C@@H]1CSCCS1	ZINC000160527212	551581778	/nfs/dbraw/zinc/58/17/78/551581778.db2.gz	UOPWJBRRQQHMTE-CABCVRRESA-N	0	0	386.608	2.819	10	70		GFIERN
O=S(=O)(c1sccc1Br)N1CCC(Cn2cccn2)CC1	ZINC000159428399	551565298	/nfs/dbraw/zinc/56/52/98/551565298.db2.gz	SAYLKKFUSICBOC-UHFFFAOYSA-N	0	0	390.328	2.808	10	70		GFIERN
O=C(N[C@H]1CCc2ncnn2C1)N1CCSC[C@H]1c1ccc(Cl)cc1	ZINC000161000991	551588608	/nfs/dbraw/zinc/58/86/08/551588608.db2.gz	JLZZPCSWDPBNSB-GJZGRUSLSA-N	0	0	377.901	2.746	10	70		GFIERN
CCCC(=O)N[C@@H]1CCCN(C(=O)Cc2cc(OC)ccc2Br)C1	ZINC000159751594	551570068	/nfs/dbraw/zinc/57/00/68/551570068.db2.gz	HLEZQQUHHADIGR-CQSZACIVSA-N	0	0	397.313	2.908	10	70		GFIERN
C[C@@H](NC(=O)c1ccnc(Cl)c1I)[C@@H]1CCCO1	ZINC000159764738	551570287	/nfs/dbraw/zinc/57/02/87/551570287.db2.gz	SYWMBGYVFJMVNZ-APPZFPTMSA-N	0	0	380.613	2.637	10	70		GFIERN
CCCC(=O)N[C@H]1CCCN(C(=O)Cc2cc(OC)ccc2Br)C1	ZINC000159751736	551570299	/nfs/dbraw/zinc/57/02/99/551570299.db2.gz	HLEZQQUHHADIGR-AWEZNQCLSA-N	0	0	397.313	2.908	10	70		GFIERN
COC(=O)c1csc(NC(=O)C(=O)N[C@H]2CCC[C@H](C(F)(F)F)C2)c1	ZINC000159920199	551573065	/nfs/dbraw/zinc/57/30/65/551573065.db2.gz	IUNNFBFEMRULLI-UWVGGRQHSA-N	0	0	378.372	2.711	10	70		GFIERN
CNC(=O)[C@H]1CCCN1C(=O)NCCOc1c(Cl)cc(Cl)cc1Cl	ZINC000159603896	551567853	/nfs/dbraw/zinc/56/78/53/551567853.db2.gz	ZZMLAJKVDGAHNO-GFCCVEGCSA-N	0	0	394.686	2.946	10	70		GFIERN
C[C@H](c1cc(Cl)ccc1Cl)n1nccc1NC(=O)N(CCO)CCO	ZINC000160805861	551585970	/nfs/dbraw/zinc/58/59/70/551585970.db2.gz	RWFJQWQZIFONJK-LLVKDONJSA-N	0	0	387.267	2.618	10	70		GFIERN
COc1cc(Br)c(CN2CCOC[C@H]2c2nc(C)no2)cc1OC	ZINC000161032309	551589230	/nfs/dbraw/zinc/58/92/30/551589230.db2.gz	RTQCGTXYBUMEOP-ZDUSSCGKSA-N	0	0	398.257	2.731	10	70		GFIERN
C[C@@H](c1ccccc1Br)N(C)C(=O)N[C@@H]1CCc2ncnn2C1	ZINC000161261192	551592257	/nfs/dbraw/zinc/59/22/57/551592257.db2.gz	DZZRVCFTEUJFHA-NWDGAFQWSA-N	0	0	378.274	2.758	10	70		GFIERN
CN(CCNC(=O)N1CCC[C@H]1c1ccco1)S(=O)(=O)c1cccs1	ZINC000159784486	551571098	/nfs/dbraw/zinc/57/10/98/551571098.db2.gz	GRLSKXBJXMOTSE-ZDUSSCGKSA-N	0	0	383.495	2.508	10	70		GFIERN
C[C@@H](NC(=O)c1csc([C@@H]2CCCO2)n1)c1ccc(S(C)(=O)=O)cc1	ZINC000160903173	551587556	/nfs/dbraw/zinc/58/75/56/551587556.db2.gz	GJJMPJMLVQHPRB-ABAIWWIYSA-N	0	0	380.491	2.889	10	70		GFIERN
CCN(CCc1nccs1)C(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1	ZINC000161150647	551590739	/nfs/dbraw/zinc/59/07/39/551590739.db2.gz	JBMKDPXPTOELJL-ZDUSSCGKSA-N	0	0	381.523	2.882	10	70		GFIERN
O=C(c1cccc(-c2ncc[nH]2)c1)N1CCCn2nc([C@@H](O)C3CC3)cc2C1	ZINC000218775050	570340631	/nfs/dbraw/zinc/34/06/31/570340631.db2.gz	KUXIWAJCSPZGBJ-IBGZPJMESA-N	0	0	377.448	2.763	10	70		GFIERN
CNC(=O)[C@@H]1CCCN1C(=O)NCCOc1c(Cl)cc(Cl)cc1Cl	ZINC000159603747	551568047	/nfs/dbraw/zinc/56/80/47/551568047.db2.gz	ZZMLAJKVDGAHNO-LBPRGKRZSA-N	0	0	394.686	2.946	10	70		GFIERN
C[C@H](NC(=O)c1ccnc(Cl)c1I)[C@H]1CCCO1	ZINC000159764846	551570590	/nfs/dbraw/zinc/57/05/90/551570590.db2.gz	SYWMBGYVFJMVNZ-IONNQARKSA-N	0	0	380.613	2.637	10	70		GFIERN
NC(=O)[C@@H](c1ccc(Br)cc1F)N1CCC(c2cc[nH]n2)CC1	ZINC000160071130	551574810	/nfs/dbraw/zinc/57/48/10/551574810.db2.gz	LCFGHMJRMWOWJF-OAHLLOKOSA-N	0	0	381.249	2.717	10	70		GFIERN
C[C@H](c1cc(Cl)ccc1Cl)n1nccc1NC(=O)NC(C)(CO)CO	ZINC000160789665	551585534	/nfs/dbraw/zinc/58/55/34/551585534.db2.gz	GZRVQXBPLODHIO-SNVBAGLBSA-N	0	0	387.267	2.664	10	70		GFIERN
O[C@]12CCCC[C@@H]1CN(Cc1nnnn1-c1ccccc1Br)CC2	ZINC000161092164	551589969	/nfs/dbraw/zinc/58/99/69/551589969.db2.gz	HYSQSMYALCPHJX-DYVFJYSZSA-N	0	0	392.301	2.552	10	70		GFIERN
O=S(=O)(c1cccc(Br)c1)N1CCC(Cn2cccn2)CC1	ZINC000159412316	551564603	/nfs/dbraw/zinc/56/46/03/551564603.db2.gz	GDFQDZWOVHEWKA-UHFFFAOYSA-N	0	0	384.299	2.747	10	70		GFIERN
O=S(=O)(c1ccccc1Br)N1CCC(Cn2cccn2)CC1	ZINC000159398819	551564714	/nfs/dbraw/zinc/56/47/14/551564714.db2.gz	USWNHDCQMZEZAP-UHFFFAOYSA-N	0	0	384.299	2.747	10	70		GFIERN
Cn1nccc1C1CCN([C@H](C(N)=O)c2ccc(Br)cc2F)CC1	ZINC000160066620	551574829	/nfs/dbraw/zinc/57/48/29/551574829.db2.gz	LLAJJEIYYDWADP-INIZCTEOSA-N	0	0	395.276	2.728	10	70		GFIERN
Cc1noc([C@@H]2COCCN2Cc2cc(Br)cc3c2OCC3)n1	ZINC000161053146	551589816	/nfs/dbraw/zinc/58/98/16/551589816.db2.gz	KFVHCBJKVIKYRI-AWEZNQCLSA-N	0	0	380.242	2.649	10	70		GFIERN
COC(=O)c1csc(NC(=O)C(=O)N[C@@H]2CCC[C@@H](C(F)(F)F)C2)c1	ZINC000159920322	551573228	/nfs/dbraw/zinc/57/32/28/551573228.db2.gz	IUNNFBFEMRULLI-NXEZZACHSA-N	0	0	378.372	2.711	10	70		GFIERN
CCN(CCc1nccs1)C(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1	ZINC000161150782	551590745	/nfs/dbraw/zinc/59/07/45/551590745.db2.gz	JBMKDPXPTOELJL-CYBMUJFWSA-N	0	0	381.523	2.882	10	70		GFIERN
CCCCN(C)S(=O)(=O)NCc1cc(Br)c(OC)c(OC)c1	ZINC000159777816	551571030	/nfs/dbraw/zinc/57/10/30/551571030.db2.gz	JPGCJLWVQUNXTB-UHFFFAOYSA-N	0	0	395.319	2.533	10	70		GFIERN
O=C(N[C@@H]1CCc2ncnn2C1)c1ccc(Br)c(C(F)(F)F)c1	ZINC000160332794	551579324	/nfs/dbraw/zinc/57/93/24/551579324.db2.gz	NHVYOOCNMHKNSK-SECBINFHSA-N	0	0	389.175	2.804	10	70		GFIERN
CCOCCN1CCN(C(=O)Cc2cc(OC)ccc2Br)C[C@@H]1C	ZINC000160497236	551581230	/nfs/dbraw/zinc/58/12/30/551581230.db2.gz	IVADEGHGVXDPJZ-AWEZNQCLSA-N	0	0	399.329	2.569	10	70		GFIERN
Cc1cnn(CCNS(=O)(=O)c2c(Cl)cc(F)cc2Br)c1	ZINC000160729454	551584971	/nfs/dbraw/zinc/58/49/71/551584971.db2.gz	VHNYYVXDBIAOOU-UHFFFAOYSA-N	0	0	396.669	2.725	10	70		GFIERN
C[C@H](NC(=O)c1cc(I)c(F)cc1F)[C@H]1CCCO1	ZINC000161450278	551594576	/nfs/dbraw/zinc/59/45/76/551594576.db2.gz	IQLOIPHZBBAXHX-JVXZTZIISA-N	0	0	381.160	2.867	10	70		GFIERN
C[C@@H](NC(=O)Nc1ccnn1[C@@H]1CCS(=O)(=O)C1)c1ccc(Cl)s1	ZINC000160805255	551585706	/nfs/dbraw/zinc/58/57/06/551585706.db2.gz	SQZLGEXSLAANRC-NXEZZACHSA-N	0	0	388.902	2.840	10	70		GFIERN
CCC[C@H](NC(=O)c1cnn2cc(Br)cnc12)C(=O)OC(C)(C)C	ZINC000161505190	551594983	/nfs/dbraw/zinc/59/49/83/551594983.db2.gz	ABPHKCXQQJKVAE-LBPRGKRZSA-N	0	0	397.273	2.732	10	70		GFIERN
Cn1cc(S(=O)(=O)N2CCCc3cc(Cl)cc(Cl)c32)cc1C(N)=O	ZINC000160797417	551585358	/nfs/dbraw/zinc/58/53/58/551585358.db2.gz	DSKCNWVFPOCMFT-UHFFFAOYSA-N	0	0	388.276	2.572	10	70		GFIERN
C[C@@H]1CN(C(=O)c2cc(I)c(F)cc2F)C[C@@H](C)O1	ZINC000160969895	551588726	/nfs/dbraw/zinc/58/87/26/551588726.db2.gz	ZPPQWEVFVWHFJN-HTQZYQBOSA-N	0	0	381.160	2.819	10	70		GFIERN
C[C@@H](NC(=O)c1ccnc(Cl)c1I)[C@H]1CCCO1	ZINC000159764947	551570282	/nfs/dbraw/zinc/57/02/82/551570282.db2.gz	SYWMBGYVFJMVNZ-VXNVDRBHSA-N	0	0	380.613	2.637	10	70		GFIERN
C[C@H](NC(=O)c1ccnc(Cl)c1I)[C@@H]1CCCO1	ZINC000159764640	551570591	/nfs/dbraw/zinc/57/05/91/551570591.db2.gz	SYWMBGYVFJMVNZ-CBAPKCEASA-N	0	0	380.613	2.637	10	70		GFIERN
Cc1ccccc1[C@@H](C)NS(=O)(=O)c1cc(Cl)ccc1OCC(N)=O	ZINC000160124128	551575948	/nfs/dbraw/zinc/57/59/48/551575948.db2.gz	UWYIGMQJQFHUMO-GFCCVEGCSA-N	0	0	382.869	2.552	10	70		GFIERN
C[C@@H](Cc1ccc(F)c(Br)c1)C(=O)N1CCC[C@@H]1C(=O)N(C)C	ZINC000160318412	551578555	/nfs/dbraw/zinc/57/85/55/551578555.db2.gz	CNWYRZKXSGLOIE-XHDPSFHLSA-N	0	0	385.277	2.846	10	70		GFIERN
CN(C[C@@H](c1cccs1)N1CCOCC1)C(=O)C[C@H]1CSCCS1	ZINC000160527468	551581851	/nfs/dbraw/zinc/58/18/51/551581851.db2.gz	UOPWJBRRQQHMTE-GJZGRUSLSA-N	0	0	386.608	2.819	10	70		GFIERN
CC(=O)N[C@H]1CCCN(C(=O)[C@@H](C)CC(=O)c2cccc(Br)c2)C1	ZINC000160964854	551588606	/nfs/dbraw/zinc/58/86/06/551588606.db2.gz	XJUKDKOHPDMUBG-LRDDRELGSA-N	0	0	395.297	2.785	10	70		GFIERN
O=C(N[C@@H]1CCc2ncnn2C1)N(Cc1cccc(Br)c1)C1CC1	ZINC000161135670	551590872	/nfs/dbraw/zinc/59/08/72/551590872.db2.gz	UEKXBQIWYFAXKU-CQSZACIVSA-N	0	0	390.285	2.730	10	70		GFIERN
O=C(NCc1ccc(Br)cc1Oc1ccccc1)[C@H]1COCCN1	ZINC000159511743	551566280	/nfs/dbraw/zinc/56/62/80/551566280.db2.gz	VJGZUWNRHRYCTI-MRXNPFEDSA-N	0	0	391.265	2.846	10	70		GFIERN
C[C@H](NC(=O)Nc1ccnn1[C@@H]1CCS(=O)(=O)C1)c1cccc(Cl)c1	ZINC000160752965	551584978	/nfs/dbraw/zinc/58/49/78/551584978.db2.gz	KSWFMGCOPGQHDO-SMDDNHRTSA-N	0	0	382.873	2.779	10	70		GFIERN
COCCN1CCN(C(=O)c2c[nH]c3cccc(Br)c23)C[C@@H]1C	ZINC000160888421	551586926	/nfs/dbraw/zinc/58/69/26/551586926.db2.gz	KLOPYYRNPBYWLZ-LBPRGKRZSA-N	0	0	380.286	2.723	10	70		GFIERN
C[C@H]1CN(C(=O)c2cc(I)c(F)cc2F)C[C@H](C)O1	ZINC000160969789	551588660	/nfs/dbraw/zinc/58/86/60/551588660.db2.gz	ZPPQWEVFVWHFJN-YUMQZZPRSA-N	0	0	381.160	2.819	10	70		GFIERN
CCN(Cc1cc(Br)ccc1F)C(=O)N[C@H]1CCc2ncnn2C1	ZINC000161074474	551590350	/nfs/dbraw/zinc/59/03/50/551590350.db2.gz	SXQPGHGFAMAHRW-ZDUSSCGKSA-N	0	0	396.264	2.726	10	70		GFIERN
O=C(N[C@H]1CCc2ncnn2C1)N(Cc1cccc(Br)c1)C1CC1	ZINC000161135793	551590749	/nfs/dbraw/zinc/59/07/49/551590749.db2.gz	UEKXBQIWYFAXKU-AWEZNQCLSA-N	0	0	390.285	2.730	10	70		GFIERN
C[C@@H](c1ccccc1Br)N(C)C(=O)N[C@H]1CCc2ncnn2C1	ZINC000161261464	551592080	/nfs/dbraw/zinc/59/20/80/551592080.db2.gz	DZZRVCFTEUJFHA-RYUDHWBXSA-N	0	0	378.274	2.758	10	70		GFIERN
C[C@H](NC(=O)Cc1cc(F)ccc1Br)c1nnc2n1CCCC2	ZINC000160748679	551584964	/nfs/dbraw/zinc/58/49/64/551584964.db2.gz	UCNYFVWSCNUTEB-JTQLQIEISA-N	0	0	381.249	2.936	10	70		GFIERN
O=S(=O)(c1cnc(Cl)c(Cl)c1)N1CCC(Cn2cccn2)CC1	ZINC000159406240	551564776	/nfs/dbraw/zinc/56/47/76/551564776.db2.gz	UWZKDASGGORYCJ-UHFFFAOYSA-N	0	0	375.281	2.686	10	70		GFIERN
C[C@H](NC(=O)Cc1cc(Br)ccc1F)c1nnc2n1CCCC2	ZINC000160745889	551584992	/nfs/dbraw/zinc/58/49/92/551584992.db2.gz	YEBCOSXMFJVUJE-JTQLQIEISA-N	0	0	381.249	2.936	10	70		GFIERN
C[C@H](NC(=O)Nc1ccnn1[C@@H]1CCS(=O)(=O)C1)c1ccc(Cl)s1	ZINC000160805152	551585693	/nfs/dbraw/zinc/58/56/93/551585693.db2.gz	SQZLGEXSLAANRC-VHSXEESVSA-N	0	0	388.902	2.840	10	70		GFIERN
COCCc1noc(CN(C)C(=O)N[C@H](C)c2cccc(Br)c2)n1	ZINC000160151314	551576200	/nfs/dbraw/zinc/57/62/00/551576200.db2.gz	IVUOAROJQJBVTJ-LLVKDONJSA-N	0	0	397.273	2.924	10	70		GFIERN
COC(=O)[C@@H]1CCCCN1C(=O)c1cc(C)ccc1I	ZINC000160956513	551588072	/nfs/dbraw/zinc/58/80/72/551588072.db2.gz	LOUVKAZKGNVBKZ-ZDUSSCGKSA-N	0	0	387.217	2.767	10	70		GFIERN
C[C@@H](c1cc(Cl)ccc1Cl)n1nccc1NC(=O)NC(C)(CO)CO	ZINC000160789540	551585236	/nfs/dbraw/zinc/58/52/36/551585236.db2.gz	GZRVQXBPLODHIO-JTQLQIEISA-N	0	0	387.267	2.664	10	70		GFIERN
C[C@@H](NC(=O)c1cc(I)c(F)cc1F)[C@@H]1CCCO1	ZINC000161450138	551594532	/nfs/dbraw/zinc/59/45/32/551594532.db2.gz	IQLOIPHZBBAXHX-KRTXAFLBSA-N	0	0	381.160	2.867	10	70		GFIERN
CCc1cc(=O)n2nc(N(Cc3cccs3)C[C@H]3CCCO3)sc2n1	ZINC000159573427	551566944	/nfs/dbraw/zinc/56/69/44/551566944.db2.gz	UOTRKLRCHIVXIN-CYBMUJFWSA-N	0	0	376.507	2.961	10	70		GFIERN
Cc1ccccc1[C@H](C)NS(=O)(=O)c1cc(Cl)ccc1OCC(N)=O	ZINC000160124251	551575689	/nfs/dbraw/zinc/57/56/89/551575689.db2.gz	UWYIGMQJQFHUMO-LBPRGKRZSA-N	0	0	382.869	2.552	10	70		GFIERN
COCCc1noc(CN(C)C(=O)N[C@@H](C)c2cccc(Br)c2)n1	ZINC000160151183	551576208	/nfs/dbraw/zinc/57/62/08/551576208.db2.gz	IVUOAROJQJBVTJ-NSHDSACASA-N	0	0	397.273	2.924	10	70		GFIERN
O=C(N[C@H]1CCc2ncnn2C1)N1CCSC[C@@H]1c1ccc(Cl)cc1	ZINC000161001113	551588411	/nfs/dbraw/zinc/58/84/11/551588411.db2.gz	JLZZPCSWDPBNSB-LSDHHAIUSA-N	0	0	377.901	2.746	10	70		GFIERN
O=C(NC[C@H]1CCCC[C@H]1O)c1cc(I)c(F)cc1F	ZINC000159960867	551573577	/nfs/dbraw/zinc/57/35/77/551573577.db2.gz	VXOYRVBHPHKQRL-AMIZOPFISA-N	0	0	395.187	2.850	10	70		GFIERN
O=S(=O)(C[C@@H](O)CNc1ccnc2c(F)cc(F)cc12)c1cccs1	ZINC000160077685	551575136	/nfs/dbraw/zinc/57/51/36/551575136.db2.gz	PWGHNOYYHAVTJH-NSHDSACASA-N	0	0	384.429	2.821	10	70		GFIERN
C[C@@H](NC(=O)NC[C@H]1CCCS1(=O)=O)c1ccc(OC(F)(F)F)cc1	ZINC000159847828	551571832	/nfs/dbraw/zinc/57/18/32/551571832.db2.gz	LYFYPRATQGZQBQ-ZWNOBZJWSA-N	0	0	380.388	2.523	10	70		GFIERN
C[C@H](c1ccccc1Br)N(C)C(=O)N[C@@H]1CCc2ncnn2C1	ZINC000161261327	551592301	/nfs/dbraw/zinc/59/23/01/551592301.db2.gz	DZZRVCFTEUJFHA-VXGBXAGGSA-N	0	0	378.274	2.758	10	70		GFIERN
O=C(NC[C@@H]1CCCC[C@@H]1O)C(=O)Nc1cc(Cl)ccc1Br	ZINC000161379677	551594106	/nfs/dbraw/zinc/59/41/06/551594106.db2.gz	MFXMBFJNDZTNSU-ZANVPECISA-N	0	0	389.677	2.708	10	70		GFIERN
C[C@H](c1cc(Cl)ccc1Cl)n1nccc1NC(=O)NCCOCCO	ZINC000160820030	551585611	/nfs/dbraw/zinc/58/56/11/551585611.db2.gz	NKFDRFZSGUQLNR-LLVKDONJSA-N	0	0	387.267	2.930	10	70		GFIERN
O=S(=O)(C[C@H](O)CNc1ccnc2c(F)cc(F)cc12)c1cccs1	ZINC000160077549	551575310	/nfs/dbraw/zinc/57/53/10/551575310.db2.gz	PWGHNOYYHAVTJH-LLVKDONJSA-N	0	0	384.429	2.821	10	70		GFIERN
C[C@H](NC(=O)Nc1ccnn1[C@H]1CCS(=O)(=O)C1)c1cccc(Cl)c1	ZINC000160753238	551585033	/nfs/dbraw/zinc/58/50/33/551585033.db2.gz	KSWFMGCOPGQHDO-FZMZJTMJSA-N	0	0	382.873	2.779	10	70		GFIERN
COC(=O)c1csc(NC(=O)C(=O)N[C@@H]2CCc3cc(Cl)ccc32)c1	ZINC000161346413	551593612	/nfs/dbraw/zinc/59/36/12/551593612.db2.gz	AUESYLAXXRELJU-CYBMUJFWSA-N	0	0	378.837	2.930	10	70		GFIERN
C[C@@H](c1cc(Cl)ccc1Cl)n1nccc1NC(=O)NC1(C(N)=O)CC1	ZINC000160835479	551585772	/nfs/dbraw/zinc/58/57/72/551585772.db2.gz	KHSHGSQCUDIKJN-VIFPVBQESA-N	0	0	382.251	2.939	10	70		GFIERN
C[C@H](c1ccccc1Br)N(C)C(=O)N[C@H]1CCc2ncnn2C1	ZINC000161261564	551592115	/nfs/dbraw/zinc/59/21/15/551592115.db2.gz	DZZRVCFTEUJFHA-NEPJUHHUSA-N	0	0	378.274	2.758	10	70		GFIERN
C[C@@H]1CN([C@@H](CNC(=O)C[C@@H]2CSCCS2)c2cccs2)CCO1	ZINC000160535760	551582350	/nfs/dbraw/zinc/58/23/50/551582350.db2.gz	WIOOSYDRMODCDK-KFWWJZLASA-N	0	0	386.608	2.865	10	70		GFIERN
CN(CCNC(=O)N1CCC[C@@H]1c1ccco1)S(=O)(=O)c1cccs1	ZINC000159784346	551570802	/nfs/dbraw/zinc/57/08/02/551570802.db2.gz	GRLSKXBJXMOTSE-CYBMUJFWSA-N	0	0	383.495	2.508	10	70		GFIERN
Cc1nc(C)n(C[C@H]2CCCN(C(=O)c3ccc(Br)c(O)c3)C2)n1	ZINC000160440458	551580771	/nfs/dbraw/zinc/58/07/71/551580771.db2.gz	MLCSZHCEHHPCAA-ZDUSSCGKSA-N	0	0	393.285	2.915	10	70		GFIERN
CN1CCO[C@@H](CNC(=O)c2ccc(Br)c(C(F)(F)F)c2)C1	ZINC000159587924	551567394	/nfs/dbraw/zinc/56/73/94/551567394.db2.gz	SYGYKIQALMBYMS-JTQLQIEISA-N	0	0	381.192	2.528	10	70		GFIERN
CC(C)COc1ccc([C@@H](C)NC(=O)c2csc(S(N)(=O)=O)c2)cc1	ZINC000159853988	551572167	/nfs/dbraw/zinc/57/21/67/551572167.db2.gz	FJSXWIPTDSDGHE-GFCCVEGCSA-N	0	0	382.507	2.921	10	70		GFIERN
COC(=O)c1csc(NC(=O)N2CCN(Cc3cnc(C)s3)CC2)c1	ZINC000160656572	551583856	/nfs/dbraw/zinc/58/38/56/551583856.db2.gz	GIZIMMSSDOTJIU-UHFFFAOYSA-N	0	0	380.495	2.649	10	70		GFIERN
COCCN1CCN(C(=O)c2c[nH]c3cccc(Br)c23)C[C@H]1C	ZINC000160888278	551587015	/nfs/dbraw/zinc/58/70/15/551587015.db2.gz	KLOPYYRNPBYWLZ-GFCCVEGCSA-N	0	0	380.286	2.723	10	70		GFIERN
O=C(NC[C@H]1CCCC[C@H]1O)C(=O)Nc1cc(Cl)ccc1Br	ZINC000161380063	551593844	/nfs/dbraw/zinc/59/38/44/551593844.db2.gz	MFXMBFJNDZTNSU-NOZJJQNGSA-N	0	0	389.677	2.708	10	70		GFIERN
CC(=O)N[C@@H]1CCCN(C(=O)[C@@H](C)CC(=O)c2cccc(Br)c2)C1	ZINC000160965072	551588481	/nfs/dbraw/zinc/58/84/81/551588481.db2.gz	XJUKDKOHPDMUBG-BLLLJJGKSA-N	0	0	395.297	2.785	10	70		GFIERN
Cc1noc([C@H]2COCCN2Cc2cc(Br)cc3c2OCC3)n1	ZINC000161053270	551589703	/nfs/dbraw/zinc/58/97/03/551589703.db2.gz	KFVHCBJKVIKYRI-CQSZACIVSA-N	0	0	380.242	2.649	10	70		GFIERN
COc1ccc(Br)c(CC(=O)N[C@H](C)c2nnc3n2CCCC3)c1	ZINC000161294905	551592827	/nfs/dbraw/zinc/59/28/27/551592827.db2.gz	KWBNXPFSCKVHKU-LLVKDONJSA-N	0	0	393.285	2.805	10	70		GFIERN
Cc1nccn1C[C@H]1CCCN1[C@H](C(N)=O)c1cccc(Br)c1	ZINC000160684826	551584392	/nfs/dbraw/zinc/58/43/92/551584392.db2.gz	RHOAKWLYLYZYQP-CVEARBPZSA-N	0	0	377.286	2.645	10	70		GFIERN
NC(=O)[C@H](c1cccc(Br)c1)N1CC[C@H](Oc2cccnc2)C1	ZINC000161444526	551594516	/nfs/dbraw/zinc/59/45/16/551594516.db2.gz	QMHLDTBHZJHLJO-HOTGVXAUSA-N	0	0	376.254	2.524	10	70		GFIERN
O=C(NC[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl)NC[C@@H]1CCCS1(=O)=O	ZINC000160119726	551575705	/nfs/dbraw/zinc/57/57/05/551575705.db2.gz	TYGPUJRMVWBAAW-VHRBIJSZSA-N	0	0	391.320	2.973	10	70		GFIERN
O=C(N[C@H]1CCc2ncnn2C1)c1ccc(Br)c(C(F)(F)F)c1	ZINC000160332930	551579462	/nfs/dbraw/zinc/57/94/62/551579462.db2.gz	NHVYOOCNMHKNSK-VIFPVBQESA-N	0	0	389.175	2.804	10	70		GFIERN
Cc1ccccc1[C@H](C)NC(=O)NCCN(C)S(=O)(=O)c1cccs1	ZINC000159825697	551571598	/nfs/dbraw/zinc/57/15/98/551571598.db2.gz	YUHHDWCVVANPJX-AWEZNQCLSA-N	0	0	381.523	2.737	10	70		GFIERN
C[C@@H](c1cc(Cl)ccc1Cl)n1nccc1NC(=O)N(CCO)CCO	ZINC000160805758	551585992	/nfs/dbraw/zinc/58/59/92/551585992.db2.gz	RWFJQWQZIFONJK-NSHDSACASA-N	0	0	387.267	2.618	10	70		GFIERN
COC(=O)[C@@H]1CCCN(C(=O)Cc2c[nH]c3cc(Br)ccc23)C1	ZINC000161367469	551594159	/nfs/dbraw/zinc/59/41/59/551594159.db2.gz	BSDXWNHHTIHZGY-LLVKDONJSA-N	0	0	379.254	2.885	10	70		GFIERN
O=C(NCc1ccc(Br)cc1Oc1ccccc1)[C@@H]1COCCN1	ZINC000159511590	551566392	/nfs/dbraw/zinc/56/63/92/551566392.db2.gz	VJGZUWNRHRYCTI-INIZCTEOSA-N	0	0	391.265	2.846	10	70		GFIERN
COC(=O)c1csc(NC(=O)C(=O)N[C@H]2CCC[C@@H](C(F)(F)F)C2)c1	ZINC000159920444	551573156	/nfs/dbraw/zinc/57/31/56/551573156.db2.gz	IUNNFBFEMRULLI-ZJUUUORDSA-N	0	0	378.372	2.711	10	70		GFIERN
CN(C[C@H](c1cccs1)N1CCOCC1)C(=O)C[C@@H]1CSCCS1	ZINC000160527357	551581841	/nfs/dbraw/zinc/58/18/41/551581841.db2.gz	UOPWJBRRQQHMTE-HUUCEWRRSA-N	0	0	386.608	2.819	10	70		GFIERN
C[C@H](c1cc(Cl)ccc1Cl)n1nccc1NC(=O)N1CCNC(=O)C1	ZINC000160785412	551585540	/nfs/dbraw/zinc/58/55/40/551585540.db2.gz	AGBNDMKXNXBQFI-SNVBAGLBSA-N	0	0	382.251	2.763	10	70		GFIERN
Cc1ccccc1[C@@H](C)NC(=O)NCCN(C)S(=O)(=O)c1cccs1	ZINC000159825563	551571619	/nfs/dbraw/zinc/57/16/19/551571619.db2.gz	YUHHDWCVVANPJX-CQSZACIVSA-N	0	0	381.523	2.737	10	70		GFIERN
Cc1nc(C)n(C[C@@H]2CCCN(C(=O)c3ccc(Br)c(O)c3)C2)n1	ZINC000160440319	551580418	/nfs/dbraw/zinc/58/04/18/551580418.db2.gz	MLCSZHCEHHPCAA-CYBMUJFWSA-N	0	0	393.285	2.915	10	70		GFIERN
COc1cc(Br)c(CN2CCOC[C@@H]2c2nc(C)no2)cc1OC	ZINC000161032430	551588866	/nfs/dbraw/zinc/58/88/66/551588866.db2.gz	RTQCGTXYBUMEOP-CYBMUJFWSA-N	0	0	398.257	2.731	10	70		GFIERN
CN1CCO[C@H](CNC(=O)c2ccc(Br)c(C(F)(F)F)c2)C1	ZINC000159587767	551567560	/nfs/dbraw/zinc/56/75/60/551567560.db2.gz	SYGYKIQALMBYMS-SNVBAGLBSA-N	0	0	381.192	2.528	10	70		GFIERN
C[C@@H](NC(=O)NC[C@@H]1CCCS1(=O)=O)c1ccc(OC(F)(F)F)cc1	ZINC000159847552	551571994	/nfs/dbraw/zinc/57/19/94/551571994.db2.gz	LYFYPRATQGZQBQ-MFKMUULPSA-N	0	0	380.388	2.523	10	70		GFIERN
C[C@@H](CNC(=O)c1cc(C(F)(F)F)ccc1Br)N1CCOCC1	ZINC000160831935	551585668	/nfs/dbraw/zinc/58/56/68/551585668.db2.gz	QADYIFGNXNFXFS-JTQLQIEISA-N	0	0	395.219	2.918	10	70		GFIERN
C[C@H](NC(=O)Nc1ccnn1[C@H]1CCS(=O)(=O)C1)c1ccc(Cl)s1	ZINC000160805309	551585887	/nfs/dbraw/zinc/58/58/87/551585887.db2.gz	SQZLGEXSLAANRC-UWVGGRQHSA-N	0	0	388.902	2.840	10	70		GFIERN
Cc1cc(S(N)(=O)=O)sc1C(=O)N[C@@H](C)c1ccc(F)c(Cl)c1	ZINC000161010729	551589123	/nfs/dbraw/zinc/58/91/23/551589123.db2.gz	BGOOQJGASRJKIF-QMMMGPOBSA-N	0	0	376.862	2.987	10	70		GFIERN
NC(=O)[C@@H](c1cccc(Br)c1)N1CC[C@H](Oc2cccnc2)C1	ZINC000161444659	551594413	/nfs/dbraw/zinc/59/44/13/551594413.db2.gz	QMHLDTBHZJHLJO-JKSUJKDBSA-N	0	0	376.254	2.524	10	70		GFIERN
O[C@@]12CCCC[C@@H]1CN(Cc1nnnn1-c1ccccc1Br)CC2	ZINC000161092032	551590321	/nfs/dbraw/zinc/59/03/21/551590321.db2.gz	HYSQSMYALCPHJX-CXAGYDPISA-N	0	0	392.301	2.552	10	70		GFIERN
CN(C[C@H](c1cccs1)N1CCOCC1)C(=O)C[C@H]1CSCCS1	ZINC000160527593	551581450	/nfs/dbraw/zinc/58/14/50/551581450.db2.gz	UOPWJBRRQQHMTE-LSDHHAIUSA-N	0	0	386.608	2.819	10	70		GFIERN
C[C@@H](NC(=O)Nc1ccnn1[C@H]1CCS(=O)(=O)C1)c1ccc(Cl)s1	ZINC000160805425	551585968	/nfs/dbraw/zinc/58/59/68/551585968.db2.gz	SQZLGEXSLAANRC-ZJUUUORDSA-N	0	0	388.902	2.840	10	70		GFIERN
CCC[C@@H](NC(=O)c1cnn2cc(Br)cnc12)C(=O)OC(C)(C)C	ZINC000161505300	551594864	/nfs/dbraw/zinc/59/48/64/551594864.db2.gz	ABPHKCXQQJKVAE-GFCCVEGCSA-N	0	0	397.273	2.732	10	70		GFIERN
COc1cc(CNS(=O)(=O)c2ccccc2)cc(Br)c1OC	ZINC000159778845	551570668	/nfs/dbraw/zinc/57/06/68/551570668.db2.gz	GHZRLUNLKOTTOF-UHFFFAOYSA-N	0	0	386.267	2.945	10	70		GFIERN
CC(C)COc1ccc([C@H](C)NC(=O)c2csc(S(N)(=O)=O)c2)cc1	ZINC000159854113	551572025	/nfs/dbraw/zinc/57/20/25/551572025.db2.gz	FJSXWIPTDSDGHE-LBPRGKRZSA-N	0	0	382.507	2.921	10	70		GFIERN
COc1ccc(Br)c(CC(=O)N[C@@H](C)c2nnc3n2CCCC3)c1	ZINC000161294796	551592799	/nfs/dbraw/zinc/59/27/99/551592799.db2.gz	KWBNXPFSCKVHKU-NSHDSACASA-N	0	0	393.285	2.805	10	70		GFIERN
C[C@H](c1cc(Cl)ccc1Cl)n1nccc1NC(=O)NC1(C(N)=O)CC1	ZINC000160835603	551585632	/nfs/dbraw/zinc/58/56/32/551585632.db2.gz	KHSHGSQCUDIKJN-SECBINFHSA-N	0	0	382.251	2.939	10	70		GFIERN
C[C@@H](NC(=O)c1csc([C@H]2CCCO2)n1)c1ccc(S(C)(=O)=O)cc1	ZINC000160903396	551587441	/nfs/dbraw/zinc/58/74/41/551587441.db2.gz	GJJMPJMLVQHPRB-IAQYHMDHSA-N	0	0	380.491	2.889	10	70		GFIERN
Cc1cc(S(N)(=O)=O)sc1C(=O)N[C@H](C)c1ccc(F)c(Cl)c1	ZINC000161010860	551589072	/nfs/dbraw/zinc/58/90/72/551589072.db2.gz	BGOOQJGASRJKIF-MRVPVSSYSA-N	0	0	376.862	2.987	10	70		GFIERN
O=C(c1cccc(-c2ncc[nH]2)c1)N1CCCn2nc([C@H](O)C3CC3)cc2C1	ZINC000218775138	570340658	/nfs/dbraw/zinc/34/06/58/570340658.db2.gz	KUXIWAJCSPZGBJ-LJQANCHMSA-N	0	0	377.448	2.763	10	70		GFIERN
CC(C)c1nc2n(n1)C[C@H](NC(=O)N(C)Cc1ccc(Br)o1)CC2	ZINC000161422021	551594530	/nfs/dbraw/zinc/59/45/30/551594530.db2.gz	AZLWGLCZVSMOOO-LLVKDONJSA-N	0	0	396.289	2.913	10	70		GFIERN
CC(=O)N[C@H]1CCCN(C(=O)[C@H](C)CC(=O)c2cccc(Br)c2)C1	ZINC000160964967	551588417	/nfs/dbraw/zinc/58/84/17/551588417.db2.gz	XJUKDKOHPDMUBG-WBMJQRKESA-N	0	0	395.297	2.785	10	70		GFIERN
CCN(Cc1cc(Br)ccc1F)C(=O)N[C@@H]1CCc2ncnn2C1	ZINC000161074290	551590152	/nfs/dbraw/zinc/59/01/52/551590152.db2.gz	SXQPGHGFAMAHRW-CYBMUJFWSA-N	0	0	396.264	2.726	10	70		GFIERN
CC(C)c1nc2n(n1)C[C@@H](NC(=O)N(C)Cc1ccc(Br)o1)CC2	ZINC000161422149	551594486	/nfs/dbraw/zinc/59/44/86/551594486.db2.gz	AZLWGLCZVSMOOO-NSHDSACASA-N	0	0	396.289	2.913	10	70		GFIERN
CCc1cc(=O)n2nc(N(Cc3cccs3)C[C@@H]3CCCO3)sc2n1	ZINC000159573278	551566910	/nfs/dbraw/zinc/56/69/10/551566910.db2.gz	UOTRKLRCHIVXIN-ZDUSSCGKSA-N	0	0	376.507	2.961	10	70		GFIERN
NC(=O)[C@H](c1ccc(Br)cc1F)N1CCC(c2cc[nH]n2)CC1	ZINC000160071009	551574889	/nfs/dbraw/zinc/57/48/89/551574889.db2.gz	LCFGHMJRMWOWJF-HNNXBMFYSA-N	0	0	381.249	2.717	10	70		GFIERN
Cc1noc(Cl)c1CC(=O)Nc1ccc(NS(C)(=O)=O)c(Cl)c1	ZINC000159606659	551567842	/nfs/dbraw/zinc/56/78/42/551567842.db2.gz	UAXXPCXJMLYOJA-UHFFFAOYSA-N	0	0	378.237	2.843	10	70		GFIERN
C[C@@H](c1cc(Cl)ccc1Cl)n1nccc1NC(=O)N1CCNC(=O)C1	ZINC000160785282	551585505	/nfs/dbraw/zinc/58/55/05/551585505.db2.gz	AGBNDMKXNXBQFI-JTQLQIEISA-N	0	0	382.251	2.763	10	70		GFIERN