smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)CN1C(=O)C(=CNCCC[NH+]2CCN(C)CC2)C(=O)[N-]C1=S ZINC000029003323 660089808 /nfs/dbraw/zinc/08/98/08/660089808.db2.gz REDMFAJXSQXRCT-KAMYIIQDSA-N 0 3 367.519 -0.003 20 10 FBCDHN C[NH+]1CCC(O)(CNC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CC1 ZINC000267137802 484440004 /nfs/dbraw/zinc/44/00/04/484440004.db2.gz GSJAZVFDWCYYFB-UHFFFAOYSA-N 0 3 357.432 -0.050 20 10 FBCDHN CCN1CCN(c2ccc(CNC(=O)[C@@H](N)CC(N)=O)cc2F)CC1 ZINC000269591809 483469769 /nfs/dbraw/zinc/46/97/69/483469769.db2.gz CQVUXAPTWYMEBF-AWEZNQCLSA-N 0 3 351.426 -0.214 20 10 FBCDHN CCN1CCN(c2ccc(CNC(=O)[C@H](N)CC(N)=O)cc2F)CC1 ZINC000269591811 483469202 /nfs/dbraw/zinc/46/92/02/483469202.db2.gz CQVUXAPTWYMEBF-CQSZACIVSA-N 0 3 351.426 -0.214 20 10 FBCDHN COc1ccc(N2CCN(CCCNC(=O)[C@@H](N)CC(N)=O)CC2)cc1 ZINC000269708184 483478155 /nfs/dbraw/zinc/47/81/55/483478155.db2.gz NILNDABUBWKYLV-INIZCTEOSA-N 0 3 363.462 -0.474 20 10 FBCDHN COc1ccc(N2CCN(CCCNC(=O)[C@H](N)CC(N)=O)CC2)cc1 ZINC000269708187 483477606 /nfs/dbraw/zinc/47/76/06/483477606.db2.gz NILNDABUBWKYLV-MRXNPFEDSA-N 0 3 363.462 -0.474 20 10 FBCDHN COc1ccc(N2CCN(CCCNC(=O)CNC(=O)CN)CC2)cc1 ZINC000274406277 483645051 /nfs/dbraw/zinc/64/50/51/483645051.db2.gz HZMQHJAOAAFEQW-UHFFFAOYSA-N 0 3 363.462 -0.602 20 10 FBCDHN CCN1CCN(c2ccc(CNC(=O)CNC(=O)CN)cc2F)CC1 ZINC000274456152 483647934 /nfs/dbraw/zinc/64/79/34/483647934.db2.gz UFGUYJYXYXRLKE-UHFFFAOYSA-N 0 3 351.426 -0.341 20 10 FBCDHN CC1C(=O)N(C)S(=O)(=O)N1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000298349883 483578763 /nfs/dbraw/zinc/57/87/63/483578763.db2.gz SSAWMZKWFYPGAT-LLVKDONJSA-N 0 3 354.432 -0.224 20 10 FBCDHN CC1C(=O)N(C)S(=O)(=O)N1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000298349889 483579043 /nfs/dbraw/zinc/57/90/43/483579043.db2.gz SSAWMZKWFYPGAT-NSHDSACASA-N 0 3 354.432 -0.224 20 10 FBCDHN CC(C)CN1C(=O)C(=CNCCC[NH+]2CCN(C)CC2)C(=O)[N-]C1=S ZINC000730971038 660142296 /nfs/dbraw/zinc/14/22/96/660142296.db2.gz REDMFAJXSQXRCT-SDNWHVSQSA-N 0 3 367.519 -0.003 20 10 FBCDHN COc1ccc(N2CCN(C[C@H](O)CN(CCO)CCO)CC2)cc1 ZINC000754028540 660653633 /nfs/dbraw/zinc/65/36/33/660653633.db2.gz YMNWQRRIJUFKMD-KRWDZBQOSA-N 0 3 353.463 -0.535 20 10 FBCDHN COc1ccc(N2CCN(C[C@@H](O)CN(CCO)CCO)CC2)cc1 ZINC000754028542 660653590 /nfs/dbraw/zinc/65/35/90/660653590.db2.gz YMNWQRRIJUFKMD-QGZVFWFLSA-N 0 3 353.463 -0.535 20 10 FBCDHN COc1ccc(N2CCN(C[C@@H](O)CN3C[C@@H](O)[C@@H](O)C3)CC2)cc1 ZINC000754049110 660654034 /nfs/dbraw/zinc/65/40/34/660654034.db2.gz HMZZSXJNYLVNAN-NXHRZFHOSA-N 0 3 351.447 -0.785 20 10 FBCDHN COc1ccc(N2CCN(C[C@H](O)CN3C[C@@H](O)[C@@H](O)C3)CC2)cc1 ZINC000754049117 660654050 /nfs/dbraw/zinc/65/40/50/660654050.db2.gz HMZZSXJNYLVNAN-RYQLBKOJSA-N 0 3 351.447 -0.785 20 10 FBCDHN CS(=O)(=O)Nc1ccc(O)c(C(=O)N[C@@H](CO)CN2CCCC2)c1 ZINC000816626055 661037312 /nfs/dbraw/zinc/03/73/12/661037312.db2.gz TWGOYDLJYHBSFP-GFCCVEGCSA-N 0 3 357.432 -0.050 20 10 FBCDHN CS(=O)(=O)Nc1ccc(O)c(C(=O)N[C@H](CO)CN2CCCC2)c1 ZINC000816626056 661037353 /nfs/dbraw/zinc/03/73/53/661037353.db2.gz TWGOYDLJYHBSFP-LBPRGKRZSA-N 0 3 357.432 -0.050 20 10 FBCDHN COc1ccc(N2CCN(C[C@@H](O)CNCC(=O)N(C)C)CC2)cc1 ZINC000818940873 661064845 /nfs/dbraw/zinc/06/48/45/661064845.db2.gz IQTKNRSZCGWYSJ-INIZCTEOSA-N 0 3 350.463 -0.144 20 10 FBCDHN COc1ccc(N2CCN(C[C@H](O)CNCC(=O)N(C)C)CC2)cc1 ZINC000818940874 661064848 /nfs/dbraw/zinc/06/48/48/661064848.db2.gz IQTKNRSZCGWYSJ-MRXNPFEDSA-N 0 3 350.463 -0.144 20 10 FBCDHN COc1ccc(N2CCN(C[C@@H](O)CNCCS(C)(=O)=O)CC2)cc1 ZINC000818963548 661064776 /nfs/dbraw/zinc/06/47/76/661064776.db2.gz VCRODZKGAHAUSU-INIZCTEOSA-N 0 3 371.503 -0.188 20 10 FBCDHN COc1ccc(N2CCN(C[C@H](O)CNCCS(C)(=O)=O)CC2)cc1 ZINC000818963549 661064898 /nfs/dbraw/zinc/06/48/98/661064898.db2.gz VCRODZKGAHAUSU-MRXNPFEDSA-N 0 3 371.503 -0.188 20 10 FBCDHN O=C(C[C@H]1CNCCO1)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000827389089 661118921 /nfs/dbraw/zinc/11/89/21/661118921.db2.gz KPYLVGVNTBCJJS-INIZCTEOSA-N 0 3 367.471 -0.084 20 10 FBCDHN O=C(C[C@@H]1CNCCO1)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000827389091 661118786 /nfs/dbraw/zinc/11/87/86/661118786.db2.gz KPYLVGVNTBCJJS-MRXNPFEDSA-N 0 3 367.471 -0.084 20 10 FBCDHN COCCNCC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000827391183 661118806 /nfs/dbraw/zinc/11/88/06/661118806.db2.gz YDSLJAYKLKYDSU-UHFFFAOYSA-N 0 3 355.460 -0.226 20 10 FBCDHN CN(C)c1ccc([C@@H](N)CNC(=O)CN(C)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000832299538 661155297 /nfs/dbraw/zinc/15/52/97/661155297.db2.gz CMGDGEKGXMIQQN-CVEARBPZSA-N 0 3 368.503 -0.013 20 10 FBCDHN CN(C)c1ccc([C@@H](N)CNC(=O)CN(C)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000832299539 661155441 /nfs/dbraw/zinc/15/54/41/661155441.db2.gz CMGDGEKGXMIQQN-HOTGVXAUSA-N 0 3 368.503 -0.013 20 10 FBCDHN CN(C)c1ccc([C@H](N)CNC(=O)CN(C)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000832299540 661155509 /nfs/dbraw/zinc/15/55/09/661155509.db2.gz CMGDGEKGXMIQQN-HZPDHXFCSA-N 0 3 368.503 -0.013 20 10 FBCDHN CN(C)c1ccc([C@H](N)CNC(=O)CN(C)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000832299541 661155325 /nfs/dbraw/zinc/15/53/25/661155325.db2.gz CMGDGEKGXMIQQN-JKSUJKDBSA-N 0 3 368.503 -0.013 20 10 FBCDHN COc1ccc(N2CCN(C[C@@H](O)CN[C@@H]3COC[C@H]3O)CC2)cc1 ZINC000843116716 661196987 /nfs/dbraw/zinc/19/69/87/661196987.db2.gz LTJTZPOBCBQEQH-CGTJXYLNSA-N 0 3 351.447 -0.473 20 10 FBCDHN COc1ccc(N2CCN(C[C@H](O)CN[C@@H]3COC[C@H]3O)CC2)cc1 ZINC000843116735 661196833 /nfs/dbraw/zinc/19/68/33/661196833.db2.gz LTJTZPOBCBQEQH-KBAYOESNSA-N 0 3 351.447 -0.473 20 10 FBCDHN CN(C)c1ccc([C@@H](N)CNC(=O)CN2CCS(=O)(=O)CC2)cc1 ZINC000844162532 661211171 /nfs/dbraw/zinc/21/11/71/661211171.db2.gz HNFQIPDARMLMSY-HNNXBMFYSA-N 0 3 354.476 -0.401 20 10 FBCDHN CN(C)c1ccc([C@H](N)CNC(=O)CN2CCS(=O)(=O)CC2)cc1 ZINC000844162533 661211271 /nfs/dbraw/zinc/21/12/71/661211271.db2.gz HNFQIPDARMLMSY-OAHLLOKOSA-N 0 3 354.476 -0.401 20 10 FBCDHN CC1(OCC(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)CNC1 ZINC000844174343 661211505 /nfs/dbraw/zinc/21/15/05/661211505.db2.gz WJSZGGMJJABCAC-UHFFFAOYSA-N 0 3 367.471 -0.084 20 10 FBCDHN CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CCN3C[C@H](O)C[C@H]3C2)c1 ZINC000848306360 661261160 /nfs/dbraw/zinc/26/11/60/661261160.db2.gz PZRPYUNFBGYGIF-NWDGAFQWSA-N 0 3 355.416 -0.345 20 10 FBCDHN COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)[C@@H](C)N)CC2)cc1 ZINC000851643395 661297099 /nfs/dbraw/zinc/29/70/99/661297099.db2.gz WPMZTYXXFVJBSK-CYBMUJFWSA-N 0 3 370.475 -0.390 20 10 FBCDHN COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)[C@H](C)N)CC2)cc1 ZINC000851643397 661296905 /nfs/dbraw/zinc/29/69/05/661296905.db2.gz WPMZTYXXFVJBSK-ZDUSSCGKSA-N 0 3 370.475 -0.390 20 10 FBCDHN COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)CN)CC2)cc1 ZINC000852904849 661309871 /nfs/dbraw/zinc/30/98/71/661309871.db2.gz IACIOKLTDQWFEB-UHFFFAOYSA-N 0 3 356.448 -0.778 20 10 FBCDHN COc1ccc(N2CCN(C[C@@H](O)CN3C[C@H](O)[C@@H](O)C3)CC2)cc1 ZINC000859455413 661377133 /nfs/dbraw/zinc/37/71/33/661377133.db2.gz HMZZSXJNYLVNAN-NJAFHUGGSA-N 0 3 351.447 -0.785 20 10 FBCDHN COc1ccc(N2CCN(C[C@H](O)CN3C[C@H](O)[C@@H](O)C3)CC2)cc1 ZINC000859455414 661377121 /nfs/dbraw/zinc/37/71/21/661377121.db2.gz HMZZSXJNYLVNAN-SZMVWBNQSA-N 0 3 351.447 -0.785 20 10 FBCDHN COc1ccc(N2CCN(C[C@@H](O)CN[C@@H]3COC[C@@H]3O)CC2)cc1 ZINC000872218280 661493644 /nfs/dbraw/zinc/49/36/44/661493644.db2.gz LTJTZPOBCBQEQH-JQHSSLGASA-N 0 3 351.447 -0.473 20 10 FBCDHN COc1ccc(N2CCN(C[C@H](O)CN[C@@H]3COC[C@@H]3O)CC2)cc1 ZINC000872218284 661493570 /nfs/dbraw/zinc/49/35/70/661493570.db2.gz LTJTZPOBCBQEQH-NXHRZFHOSA-N 0 3 351.447 -0.473 20 10 FBCDHN CNS(=O)(=O)NCC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891247036 657376465 /nfs/dbraw/zinc/37/64/65/657376465.db2.gz GTWCQZSGWGJPBM-AWEZNQCLSA-N 0 3 357.480 -0.475 20 10 FBCDHN CNS(=O)(=O)NCC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891247038 657376456 /nfs/dbraw/zinc/37/64/56/657376456.db2.gz GTWCQZSGWGJPBM-CQSZACIVSA-N 0 3 357.480 -0.475 20 10 FBCDHN CN(C)c1ccc([C@H](CNC(=O)CNS(=O)(=O)N(C)C)N(C)C)cc1 ZINC000891247250 657376352 /nfs/dbraw/zinc/37/63/52/657376352.db2.gz HSCUSSBFQIVFHG-HNNXBMFYSA-N 0 3 371.507 -0.133 20 10 FBCDHN CN(C)c1ccc([C@@H](CNC(=O)CNS(=O)(=O)N(C)C)N(C)C)cc1 ZINC000891247252 657376427 /nfs/dbraw/zinc/37/64/27/657376427.db2.gz HSCUSSBFQIVFHG-OAHLLOKOSA-N 0 3 371.507 -0.133 20 10 FBCDHN CN1CCN(c2ccc(CN3CCN4[C@@H](CNS4(=O)=O)C3)cc2)CC1 ZINC000897279608 659879351 /nfs/dbraw/zinc/87/93/51/659879351.db2.gz UTNPUDCUBXYJQE-KRWDZBQOSA-N 0 3 365.503 -0.227 20 10 FBCDHN CN1CCN(c2ccc(CN3CCN4[C@H](CNS4(=O)=O)C3)cc2)CC1 ZINC000897279609 659879206 /nfs/dbraw/zinc/87/92/06/659879206.db2.gz UTNPUDCUBXYJQE-QGZVFWFLSA-N 0 3 365.503 -0.227 20 10 FBCDHN O=C(NCCCSc1nccs1)C(=O)N1CCNCCNCC1 ZINC000911054901 660058842 /nfs/dbraw/zinc/05/88/42/660058842.db2.gz KUEKUCFHNXTKGC-UHFFFAOYSA-N 0 3 357.505 -0.237 20 10 FBCDHN CN(C)c1ccc(CNC(=O)C(=O)N2CCNCCNCC2)cc1F ZINC000911115271 660062629 /nfs/dbraw/zinc/06/26/29/660062629.db2.gz UUWLNPOEQGMDDO-UHFFFAOYSA-N 0 3 351.426 -0.471 20 10 FBCDHN CN(C)c1ccc([C@H](CNC(=O)C(=O)NCCCON)N(C)C)cc1 ZINC000911515952 660078673 /nfs/dbraw/zinc/07/86/73/660078673.db2.gz JCGGWVHBDQCVME-HNNXBMFYSA-N 0 3 351.451 -0.132 20 10 FBCDHN CN(C)c1ccc([C@@H](CNC(=O)C(=O)NCCCON)N(C)C)cc1 ZINC000911515953 660078805 /nfs/dbraw/zinc/07/88/05/660078805.db2.gz JCGGWVHBDQCVME-OAHLLOKOSA-N 0 3 351.451 -0.132 20 10 FBCDHN O=S(=O)(NCc1ccc(N2CCOCC2)c(F)c1)N1CCNCC1 ZINC000923592072 660525130 /nfs/dbraw/zinc/52/51/30/660525130.db2.gz JCIRYCIAPOIWLF-UHFFFAOYSA-N 0 3 358.439 -0.098 20 10 FBCDHN O=S(=O)(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)C1CNC1 ZINC000923603955 661168414 /nfs/dbraw/zinc/16/84/14/661168414.db2.gz QSIYGJATBCJRMD-UHFFFAOYSA-N 0 3 359.473 -0.687 20 10 FBCDHN COc1ccc(N2CCN(CCNS(=O)(=O)C3CNC3)CC2)cc1 ZINC000923609379 661479296 /nfs/dbraw/zinc/47/92/96/661479296.db2.gz LZEUOEFISMCSLF-UHFFFAOYSA-N 0 3 354.476 -0.292 20 10 FBCDHN O=S(=O)(NCc1ccc(N2CCC(O)CC2)cc1)N1CCNCC1 ZINC000923659577 661541811 /nfs/dbraw/zinc/54/18/11/661541811.db2.gz XLXFVZFMRXULFY-UHFFFAOYSA-N 0 3 354.476 -0.113 20 10 FBCDHN COc1ccc(N2CCN(S(=O)(=O)N3CCNCC3)CC2)c(OC)c1 ZINC000923665629 661543821 /nfs/dbraw/zinc/54/38/21/661543821.db2.gz OENPVXANSZZHGZ-UHFFFAOYSA-N 0 3 370.475 -0.024 20 10 FBCDHN [NH3+][C@H](CC(=O)NCCS(=O)(=O)N1CCNCC1)c1ccccc1[O-] ZINC001219678546 844952828 /nfs/dbraw/zinc/95/28/28/844952828.db2.gz SHTATWINCIMYDJ-CYBMUJFWSA-N 0 3 356.448 -0.867 20 10 FBCDHN COC(=O)[C@@H]1CNCCN1Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC001236058432 846033431 /nfs/dbraw/zinc/03/34/31/846033431.db2.gz QPTYGZFTTSGSFJ-INIZCTEOSA-N 0 3 367.471 -0.132 20 10 FBCDHN C[NH+](C)CCN1CCO[C@H]2CN(C(=O)c3cc(O)c([O-])c(O)c3)C[C@H]21 ZINC001272048118 836437152 /nfs/dbraw/zinc/43/71/52/836437152.db2.gz GQWKNWFHFZKKES-DOMZBBRYSA-N 0 3 351.403 -0.110 20 10 FBCDHN C[NH+](C)CCN1CCO[C@H]2CN(C(=O)c3cc(O)c([O-])c(O)c3)C[C@@H]21 ZINC001272048120 836437079 /nfs/dbraw/zinc/43/70/79/836437079.db2.gz GQWKNWFHFZKKES-WFASDCNBSA-N 0 3 351.403 -0.110 20 10 FBCDHN C[NH+](C)CCN1C[C@@H]2COC[C@H](C1)N2C(=O)c1cc(O)c([O-])c(O)c1 ZINC001272048819 836436662 /nfs/dbraw/zinc/43/66/62/836436662.db2.gz MZLRZDCHBZKBGK-BETUJISGSA-N 0 3 351.403 -0.110 20 10 FBCDHN C[NH+](C)CCN1C[C@@H]2CN(C(=O)c3cc(O)c([O-])c(O)c3)C[C@H](C1)O2 ZINC001272049463 836436564 /nfs/dbraw/zinc/43/65/64/836436564.db2.gz QQYZQSQTGFZXTA-BETUJISGSA-N 0 3 351.403 -0.110 20 10 FBCDHN CN(C)S(=O)(=O)N1CCO[C@H]2CN(Cc3c(O)cc(O)cc3O)C[C@H]21 ZINC001278428561 846094827 /nfs/dbraw/zinc/09/48/27/846094827.db2.gz PRQAPQAIZFMTFU-DOMZBBRYSA-N 0 3 373.431 -0.505 20 10 FBCDHN CN(C)S(=O)(=O)N1CCO[C@H]2CN(Cc3c(O)cc(O)cc3O)C[C@@H]21 ZINC001278428562 846094717 /nfs/dbraw/zinc/09/47/17/846094717.db2.gz PRQAPQAIZFMTFU-WFASDCNBSA-N 0 3 373.431 -0.505 20 10 FBCDHN CN(C)C(=O)CN1CCO[C@H]2CN(Cc3c(O)cc(O)cc3O)C[C@@H]21 ZINC001278428754 846094867 /nfs/dbraw/zinc/09/48/67/846094867.db2.gz UTBLDEPJSZFWSL-BBRMVZONSA-N 0 3 351.403 -0.223 20 10 FBCDHN CN(C)C(=O)CN1CCO[C@H]2CN(Cc3c(O)cc(O)cc3O)C[C@H]21 ZINC001278428755 846094517 /nfs/dbraw/zinc/09/45/17/846094517.db2.gz UTBLDEPJSZFWSL-CJNGLKHVSA-N 0 3 351.403 -0.223 20 10 FBCDHN CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CC([NH2+][C@@H]3CCOC3)C2)c1 ZINC001304085592 848143180 /nfs/dbraw/zinc/14/31/80/848143180.db2.gz UDTZXVOFOPMCSR-LLVKDONJSA-N 0 3 355.416 -0.033 20 10 FBCDHN CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CC([NH2+][C@H]3CCOC3)C2)c1 ZINC001304085593 848143669 /nfs/dbraw/zinc/14/36/69/848143669.db2.gz UDTZXVOFOPMCSR-NSHDSACASA-N 0 3 355.416 -0.033 20 10 FBCDHN COC(=O)CNC(=O)CNCc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001333368525 850358845 /nfs/dbraw/zinc/35/88/45/850358845.db2.gz GNTYRQSPOYFARF-UHFFFAOYSA-N 0 3 352.410 -0.044 20 10 FBCDHN CNC(=O)[C@H](C)NC[C@@H](O)CN1CCN(c2ccc(OC)cc2)CC1 ZINC001336783918 850784224 /nfs/dbraw/zinc/78/42/24/850784224.db2.gz LKDGFBFWOQFZOY-GOEBONIOSA-N 0 3 350.463 -0.098 20 10 FBCDHN CNC(=O)[C@H](C)NC[C@H](O)CN1CCN(c2ccc(OC)cc2)CC1 ZINC001336783921 850784777 /nfs/dbraw/zinc/78/47/77/850784777.db2.gz LKDGFBFWOQFZOY-HOCLYGCPSA-N 0 3 350.463 -0.098 20 10 FBCDHN CN1CCN(c2ccc(CNC(=O)[C@@H](N)CCS(C)(=O)=O)cc2)CC1 ZINC001337069737 850797542 /nfs/dbraw/zinc/79/75/42/850797542.db2.gz ZJTCWDHFPVEGSN-INIZCTEOSA-N 0 3 368.503 -0.183 20 10 FBCDHN CN(C)c1ccc([C@@H](CNC(=O)C2CNCCS2(=O)=O)N(C)C)cc1 ZINC001341514307 851106996 /nfs/dbraw/zinc/10/69/96/851106996.db2.gz XIKKJKMXTGRKGP-CVEARBPZSA-N 0 3 368.503 -0.142 20 10 FBCDHN CN(C)c1ccc([C@H](CNC(=O)C2CNCCS2(=O)=O)N(C)C)cc1 ZINC001341514309 851107089 /nfs/dbraw/zinc/10/70/89/851107089.db2.gz XIKKJKMXTGRKGP-HOTGVXAUSA-N 0 3 368.503 -0.142 20 10 FBCDHN CN(C)c1ccc([C@@H](CNC(=O)C2CNCCS2(=O)=O)N(C)C)cc1 ZINC001341514311 851106898 /nfs/dbraw/zinc/10/68/98/851106898.db2.gz XIKKJKMXTGRKGP-HZPDHXFCSA-N 0 3 368.503 -0.142 20 10 FBCDHN CN(C)c1ccc([C@H](CNC(=O)C2CNCCS2(=O)=O)N(C)C)cc1 ZINC001341514312 851107175 /nfs/dbraw/zinc/10/71/75/851107175.db2.gz XIKKJKMXTGRKGP-JKSUJKDBSA-N 0 3 368.503 -0.142 20 10 FBCDHN CCNC(=O)CNC[C@H](O)CN1CCN(c2ccc(OC)cc2)CC1 ZINC001346236322 851673159 /nfs/dbraw/zinc/67/31/59/851673159.db2.gz DWXGTOIJTQCHOX-INIZCTEOSA-N 0 3 350.463 -0.096 20 10 FBCDHN CCNC(=O)CNC[C@@H](O)CN1CCN(c2ccc(OC)cc2)CC1 ZINC001346236323 851673117 /nfs/dbraw/zinc/67/31/17/851673117.db2.gz DWXGTOIJTQCHOX-MRXNPFEDSA-N 0 3 350.463 -0.096 20 10 FBCDHN CNC(=O)[C@@H](C)NC[C@@H](O)CN1CCN(c2ccc(OC)cc2)CC1 ZINC001346236861 851673193 /nfs/dbraw/zinc/67/31/93/851673193.db2.gz LKDGFBFWOQFZOY-GDBMZVCRSA-N 0 3 350.463 -0.098 20 10 FBCDHN CNC(=O)[C@@H](C)NC[C@H](O)CN1CCN(c2ccc(OC)cc2)CC1 ZINC001346236862 851673104 /nfs/dbraw/zinc/67/31/04/851673104.db2.gz LKDGFBFWOQFZOY-ZBFHGGJFSA-N 0 3 350.463 -0.098 20 10 FBCDHN