smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCc1cc(C)c(C(=O)[N-]c2nc(CS(C)(=O)=O)no2)o1 ZINC000161307193 290783150 /nfs/dbraw/zinc/78/31/50/290783150.db2.gz RHBLMSVIZACQEI-UHFFFAOYSA-N -1 3 313.335 1.330 20 70 DDIDHM O=C(Cc1ccc([O-])cc1Cl)NCCCO[C@H]1CCOC1 ZINC000159376718 408402350 /nfs/dbraw/zinc/40/23/50/408402350.db2.gz YESPYNDBOSOXLI-ZDUSSCGKSA-N -1 3 313.781 1.900 20 70 DDIDHM Cc1cccc([C@H](C)CNC(=O)C2CC3(C2)NC(=O)[N-]C3=O)c1 ZINC000159654569 408421238 /nfs/dbraw/zinc/42/12/38/408421238.db2.gz LOEPQEXTVPKCKY-FFLHNBHYSA-N -1 3 315.373 1.203 20 70 DDIDHM CCOC(=O)NCCCC(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000160501590 408490192 /nfs/dbraw/zinc/49/01/92/408490192.db2.gz OXDQGKLXCZWVSU-UHFFFAOYSA-N -1 3 309.248 1.288 20 70 DDIDHM CCOC(=O)NCCCC(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000160501590 408490197 /nfs/dbraw/zinc/49/01/97/408490197.db2.gz OXDQGKLXCZWVSU-UHFFFAOYSA-N -1 3 309.248 1.288 20 70 DDIDHM NC(=O)[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccc(F)cc2F)C1 ZINC000160247217 408465950 /nfs/dbraw/zinc/46/59/50/408465950.db2.gz RQMZNHBHDFUVEG-PSASIEDQSA-N -1 3 318.345 1.287 20 70 DDIDHM CC1(O)CCN(C(=O)c2ccc([N-]S(C)(=O)=O)cc2)CC1 ZINC000161236844 408576998 /nfs/dbraw/zinc/57/69/98/408576998.db2.gz FCRXCCZVNYMKBH-UHFFFAOYSA-N -1 3 312.391 1.045 20 70 DDIDHM Cc1ccc(NC(=O)c2cccc([C@@]3(C)NC(=O)[N-]C3=O)c2)nc1 ZINC000159525880 290759392 /nfs/dbraw/zinc/75/93/92/290759392.db2.gz HLATVHZTARLPNH-QGZVFWFLSA-N -1 3 324.340 1.697 20 70 DDIDHM O=C(NCCCCC1CCCC1)C1CC2(C1)NC(=O)[N-]C2=O ZINC000159799635 408435499 /nfs/dbraw/zinc/43/54/99/408435499.db2.gz PUBWSMBLFVFAPT-UHFFFAOYSA-N -1 3 307.394 1.451 20 70 DDIDHM C[C@@H](NC(=O)C1CC2(C1)NC(=O)[N-]C2=O)[C@H](C)c1ccccc1 ZINC000159882796 408441487 /nfs/dbraw/zinc/44/14/87/408441487.db2.gz MSBVXPKLTAQNJF-KOEZHHSISA-N -1 3 315.373 1.283 20 70 DDIDHM CCc1cc(=O)[n-]c(CN2CCN(Cc3ccccn3)CC2)n1 ZINC000160598900 408503237 /nfs/dbraw/zinc/50/32/37/408503237.db2.gz YWDPNTZHBZSEPZ-UHFFFAOYSA-N -1 3 313.405 1.457 20 70 DDIDHM COC(=O)c1cc(F)ccc1S(=O)(=O)[N-]Cc1ccncc1 ZINC000159509820 408414292 /nfs/dbraw/zinc/41/42/92/408414292.db2.gz IIJDCSBBEIHRCQ-UHFFFAOYSA-N -1 3 324.333 1.486 20 70 DDIDHM CCCC[C@@H](CCC)CNC(=O)C1CC2(C1)NC(=O)[N-]C2=O ZINC000160197200 408463247 /nfs/dbraw/zinc/46/32/47/408463247.db2.gz OPXAONQCQDRUTM-OPGSHWCFSA-N -1 3 309.410 1.697 20 70 DDIDHM CCC(CC)([N-]S(=O)(=O)c1cc(C)ccc1F)C(N)=O ZINC000161215321 408572941 /nfs/dbraw/zinc/57/29/41/408572941.db2.gz QCQQOXXSUSHHHA-UHFFFAOYSA-N -1 3 302.371 1.457 20 70 DDIDHM Cc1ccc(S(=O)(=O)[N-]CCSCCCO)c(F)c1 ZINC000161329020 408588789 /nfs/dbraw/zinc/58/87/89/408588789.db2.gz QGGRDMHKQRXRNM-UHFFFAOYSA-N -1 3 307.412 1.528 20 70 DDIDHM Cc1ccc(-c2nnc(NC(=O)CS(=O)(=O)C(C)C)[n-]2)o1 ZINC000160408911 525849793 /nfs/dbraw/zinc/84/97/93/525849793.db2.gz SEQAVJRPOXUKGW-UHFFFAOYSA-N -1 3 312.351 1.135 20 70 DDIDHM Cc1ccc(-c2n[n-]c(NC(=O)CS(=O)(=O)C(C)C)n2)o1 ZINC000160408911 525849803 /nfs/dbraw/zinc/84/98/03/525849803.db2.gz SEQAVJRPOXUKGW-UHFFFAOYSA-N -1 3 312.351 1.135 20 70 DDIDHM Cc1ccc(-c2nc(NC(=O)CS(=O)(=O)C(C)C)n[n-]2)o1 ZINC000160408911 525849809 /nfs/dbraw/zinc/84/98/09/525849809.db2.gz SEQAVJRPOXUKGW-UHFFFAOYSA-N -1 3 312.351 1.135 20 70 DDIDHM Cc1ccc(NC(=O)c2cccc([C@]3(C)NC(=O)[N-]C3=O)c2)nc1 ZINC000159526001 290759233 /nfs/dbraw/zinc/75/92/33/290759233.db2.gz HLATVHZTARLPNH-KRWDZBQOSA-N -1 3 324.340 1.697 20 70 DDIDHM NC(=O)[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccc(F)c(F)c2)C1 ZINC000160200091 290767932 /nfs/dbraw/zinc/76/79/32/290767932.db2.gz GDMCNEPVJWQTAF-DTWKUNHWSA-N -1 3 318.345 1.287 20 70 DDIDHM CCCn1c(=O)[n-]nc1S(=O)(=O)Cc1csc(C)n1 ZINC000160919188 354241897 /nfs/dbraw/zinc/24/18/97/354241897.db2.gz VSDYOFMNCPQFOE-UHFFFAOYSA-N -1 3 302.381 1.133 20 70 DDIDHM C[C@H]1CC(C)(C)CC[C@@H]1NC(=O)C1CC2(C1)NC(=O)[N-]C2=O ZINC000160010983 299712689 /nfs/dbraw/zinc/71/26/89/299712689.db2.gz MGTOBJARJKLYFZ-HGCMGNBYSA-N -1 3 307.394 1.306 20 70 DDIDHM CC(C)(O)C[N-]S(=O)(=O)Cc1cc(-c2ccccc2)no1 ZINC000161003980 539220858 /nfs/dbraw/zinc/22/08/58/539220858.db2.gz AZARFKXJOXPKCW-UHFFFAOYSA-N -1 3 310.375 1.532 20 70 DDIDHM C[C@H](NC(=O)C1CC2(C1)NC(=O)[N-]C2=O)[C@@H](C)C1CCCCC1 ZINC000159976878 408448254 /nfs/dbraw/zinc/44/82/54/408448254.db2.gz XEVIDICNJFPTHW-WQVCDBLGSA-N -1 3 321.421 1.696 20 70 DDIDHM COc1ccc(C(=O)N[C@@H]2CCN(c3ccccn3)C2)c([O-])c1 ZINC000161329036 408589060 /nfs/dbraw/zinc/58/90/60/408589060.db2.gz IPSWZSZLGUQIJM-GFCCVEGCSA-N -1 3 313.357 1.805 20 70 DDIDHM CC(C)CC1(CNC(=O)C2CC3(C2)NC(=O)[N-]C3=O)CCCC1 ZINC000160240061 278743917 /nfs/dbraw/zinc/74/39/17/278743917.db2.gz ZKDSBZPSWBFJKG-UHFFFAOYSA-N -1 3 321.421 1.697 20 70 DDIDHM NC(=O)[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccc(F)cc2F)C1 ZINC000160246941 290769305 /nfs/dbraw/zinc/76/93/05/290769305.db2.gz RQMZNHBHDFUVEG-WCBMZHEXSA-N -1 3 318.345 1.287 20 70 DDIDHM COCc1nsc([N-]C(=O)c2cnc(C(F)(F)F)nc2)n1 ZINC000160353190 290770885 /nfs/dbraw/zinc/77/08/85/290770885.db2.gz CRGKIPNHIFVYLV-UHFFFAOYSA-N -1 3 319.268 1.746 20 70 DDIDHM CN1C[C@@H]([N-]S(=O)(=O)c2cccc(Cl)c2F)CCC1=O ZINC000160077783 197384247 /nfs/dbraw/zinc/38/42/47/197384247.db2.gz KJEDHCLAICVDRP-QMMMGPOBSA-N -1 3 320.773 1.378 20 70 DDIDHM O=C(Cc1ccc([O-])cc1Cl)N1CC(=O)N[C@@H]2CCCC[C@H]21 ZINC000160578907 408499327 /nfs/dbraw/zinc/49/93/27/408499327.db2.gz MNOZTEAYRUZKNM-ZIAGYGMSSA-N -1 3 322.792 1.858 20 70 DDIDHM O=S(=O)([N-][C@@H](C[C@@H]1CCOC1)c1ccccc1)c1c[nH]cn1 ZINC000159815050 539219348 /nfs/dbraw/zinc/21/93/48/539219348.db2.gz CUSDPVXXSIZIJT-JSGCOSHPSA-N -1 3 321.402 1.856 20 70 DDIDHM CCC(=O)N1CC[C@@H](C(=O)Nc2nnc(C(F)(F)F)[n-]2)C1 ZINC000159595781 186129792 /nfs/dbraw/zinc/12/97/92/186129792.db2.gz GXLCDWLNCHRJSO-ZCFIWIBFSA-N -1 3 305.260 1.021 20 70 DDIDHM CCC(=O)N1CC[C@@H](C(=O)Nc2nc(C(F)(F)F)n[n-]2)C1 ZINC000159595781 186129793 /nfs/dbraw/zinc/12/97/93/186129793.db2.gz GXLCDWLNCHRJSO-ZCFIWIBFSA-N -1 3 305.260 1.021 20 70 DDIDHM Cc1noc(C)c1S(=O)(=O)[N-]C[C@@H](O)c1cccc(F)c1 ZINC000160042830 197382130 /nfs/dbraw/zinc/38/21/30/197382130.db2.gz DHTUQZIUQNIYDM-GFCCVEGCSA-N -1 3 314.338 1.442 20 70 DDIDHM O=C(Cc1ccc([O-])cc1Cl)N1CC(=O)N[C@H]2CCCC[C@H]21 ZINC000160578790 408500466 /nfs/dbraw/zinc/50/04/66/408500466.db2.gz MNOZTEAYRUZKNM-UONOGXRCSA-N -1 3 322.792 1.858 20 70 DDIDHM Cc1ccc(F)c(S(=O)(=O)[N-][C@@H]2CCC[C@H](C(N)=O)C2)c1 ZINC000160224388 408465900 /nfs/dbraw/zinc/46/59/00/408465900.db2.gz OXCQSFAVNNPPIH-WDEREUQCSA-N -1 3 314.382 1.457 20 70 DDIDHM Cc1ccc(F)c(S(=O)(=O)[N-][C@H]2CCC[C@H](C(N)=O)C2)c1 ZINC000160224504 290768557 /nfs/dbraw/zinc/76/85/57/290768557.db2.gz OXCQSFAVNNPPIH-QWRGUYRKSA-N -1 3 314.382 1.457 20 70 DDIDHM O=S(=O)(c1ccc([O-])cc1)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000160811232 408527744 /nfs/dbraw/zinc/52/77/44/408527744.db2.gz NKMUESJOCRFPGM-DOMZBBRYSA-N -1 3 311.403 1.708 20 70 DDIDHM Cc1ccc(F)c(S(=O)(=O)[N-][C@H]2CCC(=O)N(C)C2)c1 ZINC000160077220 197383418 /nfs/dbraw/zinc/38/34/18/197383418.db2.gz NAYMIOQBLQDKGC-JTQLQIEISA-N -1 3 300.355 1.033 20 70 DDIDHM Cc1ccc(-c2nnc(NC(=O)CNC(=O)OC(C)(C)C)[n-]2)o1 ZINC000160374508 408476145 /nfs/dbraw/zinc/47/61/45/408476145.db2.gz YDUKMPBFMZKILQ-UHFFFAOYSA-N -1 3 321.337 1.836 20 70 DDIDHM Cc1ccc(-c2n[n-]c(NC(=O)CNC(=O)OC(C)(C)C)n2)o1 ZINC000160374508 408476148 /nfs/dbraw/zinc/47/61/48/408476148.db2.gz YDUKMPBFMZKILQ-UHFFFAOYSA-N -1 3 321.337 1.836 20 70 DDIDHM Cc1ccc(-c2nc(NC(=O)CNC(=O)OC(C)(C)C)n[n-]2)o1 ZINC000160374508 408476150 /nfs/dbraw/zinc/47/61/50/408476150.db2.gz YDUKMPBFMZKILQ-UHFFFAOYSA-N -1 3 321.337 1.836 20 70 DDIDHM CC(C)CC1(CNC(=O)C2CC3(C2)NC(=O)[N-]C3=O)CCC1 ZINC000160379943 519625841 /nfs/dbraw/zinc/62/58/41/519625841.db2.gz VEKKXXCGXJPQDP-UHFFFAOYSA-N -1 3 307.394 1.307 20 70 DDIDHM CC[C@@](C)(O)C[N-]S(=O)(=O)c1cc(C(C)=O)ccc1Cl ZINC000160286042 536010696 /nfs/dbraw/zinc/01/06/96/536010696.db2.gz VKJMNEDEIXZUDN-CYBMUJFWSA-N -1 3 319.810 1.982 20 70 DDIDHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000160519196 408490943 /nfs/dbraw/zinc/49/09/43/408490943.db2.gz VJRURYOHMUZNGT-TXEJJXNPSA-N -1 3 318.421 1.342 20 70 DDIDHM O=S(=O)([N-]C[C@H](O)COCC1CC1)c1ccc(F)cc1F ZINC000160699817 408515106 /nfs/dbraw/zinc/51/51/06/408515106.db2.gz DRMUEFWZDCQVRW-NSHDSACASA-N -1 3 321.345 1.031 20 70 DDIDHM CCC(CC)([N-]S(=O)(=O)c1cc(F)cc(F)c1)C(N)=O ZINC000161213734 408573172 /nfs/dbraw/zinc/57/31/72/408573172.db2.gz RBGFTOYTCAWMHS-UHFFFAOYSA-N -1 3 306.334 1.287 20 70 DDIDHM Cc1cc(C)c2[n-]cc(C(=O)NCC(=O)NC3CC3)c(=O)c2c1 ZINC000161365076 408595141 /nfs/dbraw/zinc/59/51/41/408595141.db2.gz OKWQZQYGGKEZGN-UHFFFAOYSA-N -1 3 313.357 1.566 20 70 DDIDHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-]Cc1ccncc1 ZINC000159527623 290759345 /nfs/dbraw/zinc/75/93/45/290759345.db2.gz AHUPSHZAJDFBOL-UHFFFAOYSA-N -1 3 324.333 1.486 20 70 DDIDHM COc1ccc(C(=O)[N-]c2n[nH]c(-c3ccc(C)cc3)n2)nn1 ZINC000159814895 354236360 /nfs/dbraw/zinc/23/63/60/354236360.db2.gz OWEAVWFQVHWMSS-UHFFFAOYSA-N -1 3 310.317 1.831 20 70 DDIDHM CC(C)C[C@H]1CCCCCN1C(=O)C1CC2(C1)NC(=O)[N-]C2=O ZINC000159823368 408434938 /nfs/dbraw/zinc/43/49/38/408434938.db2.gz URZWKOCRICMZFD-UIORMTCPSA-N -1 3 321.421 1.792 20 70 DDIDHM O=C(N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O)c1c[n-]nn1 ZINC000159905602 408442805 /nfs/dbraw/zinc/44/28/05/408442805.db2.gz MXACOFRAUWCLCW-JTQLQIEISA-N -1 3 323.715 1.133 20 70 DDIDHM O=C(N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O)c1cnn[n-]1 ZINC000159905602 408442812 /nfs/dbraw/zinc/44/28/12/408442812.db2.gz MXACOFRAUWCLCW-JTQLQIEISA-N -1 3 323.715 1.133 20 70 DDIDHM O=C(N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O)c1cn[n-]n1 ZINC000159905602 408442815 /nfs/dbraw/zinc/44/28/15/408442815.db2.gz MXACOFRAUWCLCW-JTQLQIEISA-N -1 3 323.715 1.133 20 70 DDIDHM Cc1ccc(S(=O)(=O)[N-]C[C@@H](O)COCC2CC2)c(F)c1 ZINC000160693261 408513342 /nfs/dbraw/zinc/51/33/42/408513342.db2.gz LJRRJCLCSTYGAH-GFCCVEGCSA-N -1 3 317.382 1.200 20 70 DDIDHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)CCn3cccn3)cc2)n1 ZINC000161181869 408568579 /nfs/dbraw/zinc/56/85/79/408568579.db2.gz 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/nfs/dbraw/zinc/47/80/68/408478068.db2.gz VRHFFONIYUEJAO-MNOVXSKESA-N -1 3 320.349 1.896 20 70 DDIDHM Cc1ccc(-c2nc(NC(=O)[C@@H](C)OC[C@@H]3CCCO3)n[n-]2)o1 ZINC000160393326 408478071 /nfs/dbraw/zinc/47/80/71/408478071.db2.gz VRHFFONIYUEJAO-MNOVXSKESA-N -1 3 320.349 1.896 20 70 DDIDHM CCC(CC)[C@@H](O)C[N-]S(=O)(=O)c1cn(CC)c(C)n1 ZINC000218076459 163332196 /nfs/dbraw/zinc/33/21/96/163332196.db2.gz DJWQNLQXGWSMGA-LBPRGKRZSA-N -1 3 303.428 1.287 20 70 DDIDHM CC(C)[C@H](NC(=O)C1CC2(C1)NC(=O)[N-]C2=O)c1ccccc1 ZINC000159697211 519818249 /nfs/dbraw/zinc/81/82/49/519818249.db2.gz YUBAXXKFGNLOTH-JZLYGMAVSA-N -1 3 315.373 1.488 20 70 DDIDHM CC1=C(C(=O)NCCCNC(=O)c2cccc([O-])c2)CCCO1 ZINC000160279999 197397399 /nfs/dbraw/zinc/39/73/99/197397399.db2.gz QTQDDUOSIPKUOW-UHFFFAOYSA-N -1 3 318.373 1.713 20 70 DDIDHM O=C(CCC(=O)NC1CCCC1)NCc1ccc([O-])c(F)c1 ZINC000160314565 408471248 /nfs/dbraw/zinc/47/12/48/408471248.db2.gz UAXXWZKNJZGONU-UHFFFAOYSA-N -1 3 308.353 1.987 20 70 DDIDHM 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Cc1ccc(-c2n[n-]c(NC(=O)[C@@H]3CCc4c[nH]nc4C3)n2)o1 ZINC000160370034 408476221 /nfs/dbraw/zinc/47/62/21/408476221.db2.gz GSNKMUMJMKCVJJ-SECBINFHSA-N -1 3 312.333 1.840 20 70 DDIDHM Cc1ccc(-c2nc(NC(=O)[C@@H]3CCc4c[nH]nc4C3)n[n-]2)o1 ZINC000160370034 408476226 /nfs/dbraw/zinc/47/62/26/408476226.db2.gz GSNKMUMJMKCVJJ-SECBINFHSA-N -1 3 312.333 1.840 20 70 DDIDHM CCc1cc(C(=O)Nc2nc(CC(=O)OC)n[n-]2)oc1CC ZINC000160961578 408545633 /nfs/dbraw/zinc/54/56/33/408545633.db2.gz YPIKRACDEDQBEQ-UHFFFAOYSA-N -1 3 306.322 1.490 20 70 DDIDHM CCc1cc(C(=O)Nc2nnc(CC(=O)OC)[n-]2)oc1CC ZINC000160961578 408545639 /nfs/dbraw/zinc/54/56/39/408545639.db2.gz YPIKRACDEDQBEQ-UHFFFAOYSA-N -1 3 306.322 1.490 20 70 DDIDHM CCc1cc(C(=O)Nc2n[n-]c(CC(=O)OC)n2)oc1CC ZINC000160961578 408545641 /nfs/dbraw/zinc/54/56/41/408545641.db2.gz YPIKRACDEDQBEQ-UHFFFAOYSA-N -1 3 306.322 1.490 20 70 DDIDHM CCCn1c(=O)[n-]nc1S(=O)(=O)CCOc1ccccc1 ZINC000160924964 408540306 /nfs/dbraw/zinc/54/03/06/408540306.db2.gz 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408431955 /nfs/dbraw/zinc/43/19/55/408431955.db2.gz AXIOCGCYCHSXEX-UHFFFAOYSA-N -1 3 321.421 1.642 20 70 DDIDHM CCn1cc(S(=O)(=O)[N-][C@@H](CCO)C(C)(C)C)nc1C ZINC000218075371 163332862 /nfs/dbraw/zinc/33/28/62/163332862.db2.gz SPFPTHHGEUHNFS-NSHDSACASA-N -1 3 303.428 1.287 20 70 DDIDHM O=C(N[C@H]1C[C@H]1C1CCCCC1)C1CC2(C1)NC(=O)[N-]C2=O ZINC000159716896 408426867 /nfs/dbraw/zinc/42/68/67/408426867.db2.gz IJFGKNKARKQXPW-SLMGRZLQSA-N -1 3 305.378 1.060 20 70 DDIDHM C[C@H](O)CCN(C)C(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000159917376 408444001 /nfs/dbraw/zinc/44/40/01/408444001.db2.gz DRKYPJZUVGZNJL-GXTWGEPZSA-N -1 3 320.389 1.226 20 70 DDIDHM Cc1ccc(-c2nnc(NC(=O)CCCNC(=O)C3CC3)[n-]2)o1 ZINC000160428350 408481065 /nfs/dbraw/zinc/48/10/65/408481065.db2.gz AMGAGTTXOUIAHN-UHFFFAOYSA-N -1 3 317.349 1.618 20 70 DDIDHM Cc1ccc(-c2n[n-]c(NC(=O)CCCNC(=O)C3CC3)n2)o1 ZINC000160428350 408481070 /nfs/dbraw/zinc/48/10/70/408481070.db2.gz AMGAGTTXOUIAHN-UHFFFAOYSA-N -1 3 317.349 1.618 20 70 DDIDHM Cc1ccc(-c2nc(NC(=O)CCCNC(=O)C3CC3)n[n-]2)o1 ZINC000160428350 408481078 /nfs/dbraw/zinc/48/10/78/408481078.db2.gz AMGAGTTXOUIAHN-UHFFFAOYSA-N -1 3 317.349 1.618 20 70 DDIDHM Cc1ccc(-c2nnc(NC(=O)[C@H](C)NC(=O)C(C)(C)C)[n-]2)o1 ZINC000160166191 197390827 /nfs/dbraw/zinc/39/08/27/197390827.db2.gz KSPLSORJMGQOPI-VIFPVBQESA-N -1 3 319.365 1.862 20 70 DDIDHM Cc1ccc(-c2n[n-]c(NC(=O)[C@H](C)NC(=O)C(C)(C)C)n2)o1 ZINC000160166191 197390829 /nfs/dbraw/zinc/39/08/29/197390829.db2.gz KSPLSORJMGQOPI-VIFPVBQESA-N -1 3 319.365 1.862 20 70 DDIDHM Cc1ccc(-c2nc(NC(=O)[C@H](C)NC(=O)C(C)(C)C)n[n-]2)o1 ZINC000160166191 197390831 /nfs/dbraw/zinc/39/08/31/197390831.db2.gz KSPLSORJMGQOPI-VIFPVBQESA-N -1 3 319.365 1.862 20 70 DDIDHM C[C@@]1(c2cccc(C(=O)N[C@@H]3C=CCCC3)c2)NC(=O)[N-]C1=O ZINC000160382315 408476839 /nfs/dbraw/zinc/47/68/39/408476839.db2.gz AHSNPZVEBIVYPP-DYVFJYSZSA-N -1 3 313.357 1.580 20 70 DDIDHM Cc1noc([N-]C(=O)c2ccnc(OCC(F)(F)F)c2)n1 ZINC000161251370 408578881 /nfs/dbraw/zinc/57/88/81/408578881.db2.gz DHNRXQLKCLJZBU-UHFFFAOYSA-N -1 3 302.212 1.966 20 70 DDIDHM O=S(=O)([N-]CCSCCCO)c1cc(F)cc(F)c1 ZINC000161329733 408590224 /nfs/dbraw/zinc/59/02/24/408590224.db2.gz PKFUSMIKFCLLRW-UHFFFAOYSA-N -1 3 311.375 1.359 20 70 DDIDHM CCC[C@H](CCO)C[N-]S(=O)(=O)c1cn(CC)c(C)n1 ZINC000218084400 163332931 /nfs/dbraw/zinc/33/29/31/163332931.db2.gz GTZNRTKOMGGABO-GFCCVEGCSA-N -1 3 303.428 1.288 20 70 DDIDHM Cc1nc(S(=O)(=O)[N-]C2CCC(OC(C)C)CC2)cn1C ZINC000159382604 539218631 /nfs/dbraw/zinc/21/86/31/539218631.db2.gz QQEWUBCBKYGOSL-UHFFFAOYSA-N -1 3 315.439 1.743 20 70 DDIDHM NC(=O)[C@H]1CCC[C@H]([N-]S(=O)(=O)c2ccc(Cl)s2)C1 ZINC000160248187 290769147 /nfs/dbraw/zinc/76/91/47/290769147.db2.gz YQHWYPJXZQELSP-YUMQZZPRSA-N -1 3 322.839 1.724 20 70 DDIDHM CCO[N-]C(=O)[C@H]1CCCN(C(=O)c2ccc3n[nH]cc3c2)C1 ZINC000159469518 408410779 /nfs/dbraw/zinc/41/07/79/408410779.db2.gz NKTSWDKWAYCJED-LBPRGKRZSA-N -1 3 316.361 1.483 20 70 DDIDHM CC[C@H](O)CCNC(=O)c1c[n-]c2cc(OC)ccc2c1=O ZINC000160903384 408537020 /nfs/dbraw/zinc/53/70/20/408537020.db2.gz HUYJWMDZXIYKDF-JTQLQIEISA-N -1 3 304.346 1.840 20 70 DDIDHM CC(C)CCN(CCC(C)C)C(=O)C1CC2(C1)NC(=O)[N-]C2=O ZINC000159678904 408424476 /nfs/dbraw/zinc/42/44/76/408424476.db2.gz IMZSGEISDREWBA-UHFFFAOYSA-N -1 3 323.437 1.895 20 70 DDIDHM C[C@]([N-]S(=O)(=O)c1ccccc1F)(C(N)=O)c1ccccc1 ZINC000161226922 408576140 /nfs/dbraw/zinc/57/61/40/408576140.db2.gz KNHVXXCDYPSKLC-OAHLLOKOSA-N -1 3 322.361 1.505 20 70 DDIDHM Cc1ccc(-c2nnc(NC(=O)COCc3nc(C)no3)[n-]2)o1 ZINC000160403666 525846527 /nfs/dbraw/zinc/84/65/27/525846527.db2.gz QJBUNRARFTVLFE-UHFFFAOYSA-N -1 3 318.293 1.220 20 70 DDIDHM Cc1ccc(-c2n[n-]c(NC(=O)COCc3nc(C)no3)n2)o1 ZINC000160403666 525846532 /nfs/dbraw/zinc/84/65/32/525846532.db2.gz QJBUNRARFTVLFE-UHFFFAOYSA-N -1 3 318.293 1.220 20 70 DDIDHM Cc1ccc(-c2nc(NC(=O)COCc3nc(C)no3)n[n-]2)o1 ZINC000160403666 525846538 /nfs/dbraw/zinc/84/65/38/525846538.db2.gz QJBUNRARFTVLFE-UHFFFAOYSA-N -1 3 318.293 1.220 20 70 DDIDHM CC[C@](C)(O)C[N-]S(=O)(=O)c1cc(C(C)=O)ccc1Cl ZINC000160285888 535858914 /nfs/dbraw/zinc/85/89/14/535858914.db2.gz VKJMNEDEIXZUDN-ZDUSSCGKSA-N -1 3 319.810 1.982 20 70 DDIDHM