smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(C1CC2(C1)NC(=O)[N-]C2=O)N1CCC[C@@H]1CCC1CCCCC1 ZINC000160989465 463388632 /nfs/dbraw/zinc/38/86/32/463388632.db2.gz XYSKNUWDWVUCRS-XAUUPUKJSA-N -1 3 347.459 2.326 10 70 EEIEHM CC[C@H]([N-]S(=O)(=O)c1ccc(C(=O)OC)cc1)c1nccs1 ZINC000159934872 463311779 /nfs/dbraw/zinc/31/17/79/463311779.db2.gz RZTYENBDSDFFDK-LBPRGKRZSA-N -1 3 340.426 2.359 10 70 EEIEHM CC(C)c1ccc([C@@H]2CCCCN2C(=O)CN2CC(=O)[N-]C2=O)cc1 ZINC000160371361 463331838 /nfs/dbraw/zinc/33/18/38/463331838.db2.gz DHIJRBMXVBRCBG-INIZCTEOSA-N -1 3 343.427 2.415 10 70 EEIEHM COc1cccc(C(=O)N2CCC(N3CCCCC3=O)CC2)c1[O-] ZINC000159458143 206247541 /nfs/dbraw/zinc/24/75/41/206247541.db2.gz NAFMVKASNAOUIB-UHFFFAOYSA-N -1 3 332.400 2.018 10 70 EEIEHM CC[C@H]([N-]S(=O)(=O)c1cnc2onc(C)c2c1)c1nccs1 ZINC000159910596 463309909 /nfs/dbraw/zinc/30/99/09/463309909.db2.gz ZNHKVEMSABIWEC-NSHDSACASA-N -1 3 338.414 2.417 10 70 EEIEHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3ccc(N(C)C)nc3)cc2)n1 ZINC000161176643 463406486 /nfs/dbraw/zinc/40/64/86/463406486.db2.gz GSSPIKIEKAQAKP-UHFFFAOYSA-N -1 3 349.394 2.459 10 70 EEIEHM CCCn1c(=O)[n-]nc1SCc1nnc(-c2ccccc2)n1C ZINC000160974530 311360480 /nfs/dbraw/zinc/36/04/80/311360480.db2.gz VCSCHYKJTZJZBA-UHFFFAOYSA-N -1 3 330.417 2.482 10 70 EEIEHM O=C(C1CC2(C1)NC(=O)[N-]C2=O)N1CCCCC[C@@H]1c1ccccc1 ZINC000159816121 295436778 /nfs/dbraw/zinc/43/67/78/295436778.db2.gz XAVGGSAJFZTFOD-XAUUPUKJSA-N -1 3 341.411 2.119 10 70 EEIEHM Cc1cccc2c(=O)c(C(=O)NCc3nnc4ccccn43)c[n-]c12 ZINC000161287563 463417055 /nfs/dbraw/zinc/41/70/55/463417055.db2.gz IDQITMCOQAXMIF-UHFFFAOYSA-N -1 3 333.351 2.222 10 70 EEIEHM CC[C@H]([N-]S(=O)(=O)c1cccc(C(=O)OC)c1)c1nccs1 ZINC000159985113 311348815 /nfs/dbraw/zinc/34/88/15/311348815.db2.gz MUKDJBSMIVJBMS-LBPRGKRZSA-N -1 3 340.426 2.359 10 70 EEIEHM CCCn1c(=O)[n-]nc1S(=O)(=O)Cc1csc(C(C)(C)C)n1 ZINC000160921015 463382942 /nfs/dbraw/zinc/38/29/42/463382942.db2.gz YVZXLEDOTZDSOW-UHFFFAOYSA-N -1 3 344.462 2.122 10 70 EEIEHM Cc1ccc(-c2nnc(NC(=O)C[C@@H]3C(=O)Nc4ccccc43)[n-]2)o1 ZINC000160355575 463330678 /nfs/dbraw/zinc/33/06/78/463330678.db2.gz BANXCARSWRKSOB-NSHDSACASA-N -1 3 337.339 2.438 10 70 EEIEHM Cc1ccc(-c2n[n-]c(NC(=O)C[C@@H]3C(=O)Nc4ccccc43)n2)o1 ZINC000160355575 463330681 /nfs/dbraw/zinc/33/06/81/463330681.db2.gz BANXCARSWRKSOB-NSHDSACASA-N -1 3 337.339 2.438 10 70 EEIEHM Cc1ccc(-c2nc(NC(=O)C[C@@H]3C(=O)Nc4ccccc43)n[n-]2)o1 ZINC000160355575 463330684 /nfs/dbraw/zinc/33/06/84/463330684.db2.gz BANXCARSWRKSOB-NSHDSACASA-N -1 3 337.339 2.438 10 70 EEIEHM COc1ccsc1S(=O)(=O)[N-]C[C@H]1CCCN1CC(C)C ZINC000160301509 533102194 /nfs/dbraw/zinc/10/21/94/533102194.db2.gz FEOFSCFGGVNAIF-GFCCVEGCSA-N -1 3 332.491 2.155 10 70 EEIEHM CCCn1c(=O)[n-]nc1S(=O)(=O)Cc1c(F)cccc1Cl ZINC000160918919 463381392 /nfs/dbraw/zinc/38/13/92/463381392.db2.gz GQGFFSJKIUQGSX-UHFFFAOYSA-N -1 3 333.772 2.160 10 70 EEIEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)N1CCCCC[C@H]1c1ccc(Cl)cc1 ZINC000161202380 463409522 /nfs/dbraw/zinc/40/95/22/463409522.db2.gz AROIFPMGKMSKLM-KBPBESRZSA-N -1 3 349.818 2.382 10 70 EEIEHM O=C(CN1CC(=O)[N-]C1=O)N[C@H](c1cccc(Cl)c1)C1CCCC1 ZINC000159847678 534517721 /nfs/dbraw/zinc/51/77/21/534517721.db2.gz NGLMFNWYVYLNER-INIZCTEOSA-N -1 3 349.818 2.239 10 70 EEIEHM Cc1noc(CCC(=O)Nc2ccc(-c3nc(C)cc(=O)[n-]3)cc2)n1 ZINC000161184157 463408400 /nfs/dbraw/zinc/40/84/00/463408400.db2.gz DJHKABRJJQZOSW-UHFFFAOYSA-N -1 3 339.355 2.008 10 70 EEIEHM CCCn1c(=O)[n-]nc1S(=O)(=O)CCc1ccccc1Cl ZINC000160919880 463382967 /nfs/dbraw/zinc/38/29/67/463382967.db2.gz PVOPBUMOQSVFBZ-UHFFFAOYSA-N -1 3 329.809 2.064 10 70 EEIEHM Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)c(=O)n(C)c2)c(F)c1 ZINC000160254301 311352204 /nfs/dbraw/zinc/35/22/04/311352204.db2.gz XAYZOMJKOMAMHI-UHFFFAOYSA-N -1 3 330.768 2.287 10 70 EEIEHM O=c1[n-]nc(SCCc2ccc(F)c(F)c2)n1C[C@@H]1CCCO1 ZINC000161286788 463417306 /nfs/dbraw/zinc/41/73/06/463417306.db2.gz YAXZMNJKOROAIA-NSHDSACASA-N -1 3 341.383 2.363 10 70 EEIEHM CC[C@H]([N-]S(=O)(=O)c1cccc2c1OCCO2)c1nccs1 ZINC000159967938 311348267 /nfs/dbraw/zinc/34/82/67/311348267.db2.gz FFPYLYKSNVTPQQ-JTQLQIEISA-N -1 3 340.426 2.344 10 70 EEIEHM Cc1cccc2c(=O)c(C(=O)N(C)CC(=O)NC(C)(C)C)c[n-]c12 ZINC000161356540 463424077 /nfs/dbraw/zinc/42/40/77/463424077.db2.gz WJFIJYZDRMNKPL-UHFFFAOYSA-N -1 3 329.400 2.236 10 70 EEIEHM Cc1ccc(-c2nnc(NC(=O)Cn3ccc(=O)c4ccccc43)[n-]2)o1 ZINC000160373949 463331641 /nfs/dbraw/zinc/33/16/41/463331641.db2.gz HNXYVLKAASYLTQ-UHFFFAOYSA-N -1 3 349.350 2.327 10 70 EEIEHM Cc1ccc(-c2n[n-]c(NC(=O)Cn3ccc(=O)c4ccccc43)n2)o1 ZINC000160373949 463331646 /nfs/dbraw/zinc/33/16/46/463331646.db2.gz HNXYVLKAASYLTQ-UHFFFAOYSA-N -1 3 349.350 2.327 10 70 EEIEHM Cc1ccc(-c2nc(NC(=O)Cn3ccc(=O)c4ccccc43)n[n-]2)o1 ZINC000160373949 463331650 /nfs/dbraw/zinc/33/16/50/463331650.db2.gz HNXYVLKAASYLTQ-UHFFFAOYSA-N -1 3 349.350 2.327 10 70 EEIEHM Cc1cnn(Cc2cc(C(=O)NCc3ccc([O-])c(F)c3)no2)c1 ZINC000160310761 311352537 /nfs/dbraw/zinc/35/25/37/311352537.db2.gz LSXZAZLUTAZNAT-UHFFFAOYSA-N -1 3 330.319 2.003 10 70 EEIEHM CCCC[C@H](NC(=O)NCC)C(=O)NCc1ccc([O-])c(F)c1 ZINC000159756658 463304528 /nfs/dbraw/zinc/30/45/28/463304528.db2.gz CRVAWWKMUFYXFF-ZDUSSCGKSA-N -1 3 325.384 2.025 10 70 EEIEHM CC[C@@H]([N-]S(=O)(=O)c1ccc(C(=O)OC)s1)c1nccs1 ZINC000159956612 463312431 /nfs/dbraw/zinc/31/24/31/463312431.db2.gz ARIYXJTVPXQPDH-MRVPVSSYSA-N -1 3 346.455 2.421 10 70 EEIEHM CCN(CC(=O)NCc1ccc(F)cc1)Cc1nc(C)ccc1[O-] ZINC000160231619 311351881 /nfs/dbraw/zinc/35/18/81/311351881.db2.gz MAZDJYIRMYALKE-UHFFFAOYSA-N -1 3 331.391 2.373 10 70 EEIEHM CCCn1c(=O)[n-]nc1S(=O)(=O)Cc1cc(Cl)ccc1OC ZINC000160925647 463382804 /nfs/dbraw/zinc/38/28/04/463382804.db2.gz UDFNFPSLCLILES-UHFFFAOYSA-N -1 3 345.808 2.030 10 70 EEIEHM Cc1cccc2c(=O)c(C(=O)N3CCC(C(=O)N(C)C)CC3)c[n-]c12 ZINC000161132738 206329913 /nfs/dbraw/zinc/32/99/13/206329913.db2.gz QLTJCVCCOVYQAM-UHFFFAOYSA-N -1 3 341.411 2.189 10 70 EEIEHM O=c1[n-]nc(SCCc2ccc(F)c(F)c2)n1C[C@H]1CCCO1 ZINC000161286892 463417379 /nfs/dbraw/zinc/41/73/79/463417379.db2.gz YAXZMNJKOROAIA-LLVKDONJSA-N -1 3 341.383 2.363 10 70 EEIEHM COc1ccccc1[C@H](O)C[N-]S(=O)(=O)c1cc(C)ccc1F ZINC000159374630 533023100 /nfs/dbraw/zinc/02/31/00/533023100.db2.gz ZZCHKSBWEPHOFD-CQSZACIVSA-N -1 3 339.388 2.155 10 70 EEIEHM O=C(CC[N-]S(=O)(=O)c1ccccc1F)NCCC1=CCCC1 ZINC000161211398 311363430 /nfs/dbraw/zinc/36/34/30/311363430.db2.gz QROWRDNJMBHMAV-UHFFFAOYSA-N -1 3 340.420 2.111 10 70 EEIEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)N1CCCCC[C@@H]1c1ccc(Cl)cc1 ZINC000161202453 279792820 /nfs/dbraw/zinc/79/28/20/279792820.db2.gz AROIFPMGKMSKLM-UONOGXRCSA-N -1 3 349.818 2.382 10 70 EEIEHM CC[C@@H]([N-]S(=O)(=O)c1cccc2c1OCCO2)c1nccs1 ZINC000159968059 311348291 /nfs/dbraw/zinc/34/82/91/311348291.db2.gz FFPYLYKSNVTPQQ-SNVBAGLBSA-N -1 3 340.426 2.344 10 70 EEIEHM Cc1ccc(-c2nnc(NC(=O)CNC(=O)c3ccccc3C)[n-]2)o1 ZINC000160167226 463321053 /nfs/dbraw/zinc/32/10/53/463321053.db2.gz AYNKNJSXULGPJO-UHFFFAOYSA-N -1 3 339.355 2.050 10 70 EEIEHM Cc1ccc(-c2n[n-]c(NC(=O)CNC(=O)c3ccccc3C)n2)o1 ZINC000160167226 463321057 /nfs/dbraw/zinc/32/10/57/463321057.db2.gz AYNKNJSXULGPJO-UHFFFAOYSA-N -1 3 339.355 2.050 10 70 EEIEHM Cc1ccc(-c2nc(NC(=O)CNC(=O)c3ccccc3C)n[n-]2)o1 ZINC000160167226 463321061 /nfs/dbraw/zinc/32/10/61/463321061.db2.gz AYNKNJSXULGPJO-UHFFFAOYSA-N -1 3 339.355 2.050 10 70 EEIEHM O=C(C1CC2(C1)NC(=O)[N-]C2=O)N1CCCCC[C@H]1c1ccccc1 ZINC000159815995 463306663 /nfs/dbraw/zinc/30/66/63/463306663.db2.gz XAVGGSAJFZTFOD-HVEKOLDVSA-N -1 3 341.411 2.119 10 70 EEIEHM CCCC1(CNC(=O)[C@H](C)[N-]S(=O)(=O)c2ccccc2F)CC1 ZINC000160689277 463362273 /nfs/dbraw/zinc/36/22/73/463362273.db2.gz SEDDNJOEUKRHKK-LBPRGKRZSA-N -1 3 342.436 2.189 10 70 EEIEHM CC[C@@H]([N-]S(=O)(=O)c1cnc2onc(C)c2c1)c1nccs1 ZINC000159910731 463310239 /nfs/dbraw/zinc/31/02/39/463310239.db2.gz ZNHKVEMSABIWEC-LLVKDONJSA-N -1 3 338.414 2.417 10 70 EEIEHM CC[C@H]([N-]S(=O)(=O)c1ccc(C(=O)OC)s1)c1nccs1 ZINC000159956489 463312766 /nfs/dbraw/zinc/31/27/66/463312766.db2.gz ARIYXJTVPXQPDH-QMMMGPOBSA-N -1 3 346.455 2.421 10 70 EEIEHM O=C(NCc1ccc([O-])c(F)c1)N[C@H]1CCN(c2ccccc2)C1=O ZINC000159539457 143799449 /nfs/dbraw/zinc/79/94/49/143799449.db2.gz MPBLPCBRECSJFA-HNNXBMFYSA-N -1 3 343.358 2.136 10 70 EEIEHM Cc1cc(F)c(S(=O)(=O)[N-]CCc2ccccc2O)cc1F ZINC000159664230 463298134 /nfs/dbraw/zinc/29/81/34/463298134.db2.gz OYFOACMGYYKNHA-UHFFFAOYSA-N -1 3 327.352 2.500 10 70 EEIEHM COC(=O)c1ccc(S(=O)(=O)[N-]Cc2ccncc2)c(Cl)c1 ZINC000159493955 311342121 /nfs/dbraw/zinc/34/21/21/311342121.db2.gz GGDWREUNXLRFHH-UHFFFAOYSA-N -1 3 340.788 2.000 10 70 EEIEHM CC(=O)NCc1ccc(C(=O)Nc2nnc(-c3ccc(C)o3)[n-]2)s1 ZINC000160440206 463338977 /nfs/dbraw/zinc/33/89/77/463338977.db2.gz NSDFVPMCIYFVIL-UHFFFAOYSA-N -1 3 345.384 2.323 10 70 EEIEHM CC(=O)NCc1ccc(C(=O)Nc2nc(-c3ccc(C)o3)n[n-]2)s1 ZINC000160440206 463338981 /nfs/dbraw/zinc/33/89/81/463338981.db2.gz NSDFVPMCIYFVIL-UHFFFAOYSA-N -1 3 345.384 2.323 10 70 EEIEHM CC(=O)NCc1ccc(C(=O)Nc2n[n-]c(-c3ccc(C)o3)n2)s1 ZINC000160440206 463338985 /nfs/dbraw/zinc/33/89/85/463338985.db2.gz NSDFVPMCIYFVIL-UHFFFAOYSA-N -1 3 345.384 2.323 10 70 EEIEHM CCOCCO[C@H](C)C(=O)Nc1ccc(-c2nc(C)cc(=O)[n-]2)cc1 ZINC000161153854 463405590 /nfs/dbraw/zinc/40/55/90/463405590.db2.gz XBAXSPYOKLGMPN-CYBMUJFWSA-N -1 3 345.399 2.125 10 70 EEIEHM Cc1cc(S(=O)(=O)[N-]c2ccc(=O)n(C)c2)c(Cl)cc1F ZINC000159787064 311346071 /nfs/dbraw/zinc/34/60/71/311346071.db2.gz FYNJRPAIOQPHSC-UHFFFAOYSA-N -1 3 330.768 2.287 10 70 EEIEHM COc1cc(C(=O)N2CCN(c3ccccc3)CC2)cc(OC)c1[O-] ZINC000160678982 463361672 /nfs/dbraw/zinc/36/16/72/463361672.db2.gz LIHNXERXOUQQPZ-UHFFFAOYSA-N -1 3 342.395 2.372 10 70 EEIEHM CC(=O)Nc1ccc([O-])c(C(=O)NCc2nc3c(cccc3C)[nH]2)c1 ZINC000160475751 311354718 /nfs/dbraw/zinc/35/47/18/311354718.db2.gz UMYJOTFWJYYQMK-UHFFFAOYSA-N -1 3 338.367 2.465 10 70 EEIEHM CC(=O)Nc1ccc([O-])c(C(=O)NCc2nc3cccc(C)c3[nH]2)c1 ZINC000160475751 311354720 /nfs/dbraw/zinc/35/47/20/311354720.db2.gz UMYJOTFWJYYQMK-UHFFFAOYSA-N -1 3 338.367 2.465 10 70 EEIEHM Cc1ccccc1[C@@H](NC(=O)C1CC2(C1)NC(=O)[N-]C2=O)C(C)(C)C ZINC000160213806 463323753 /nfs/dbraw/zinc/32/37/53/463323753.db2.gz ISBZFFVNCAMCNL-GBRVTDDUSA-N -1 3 343.427 2.187 10 70 EEIEHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3cccnc3N(C)C)cc2)n1 ZINC000161141836 311362914 /nfs/dbraw/zinc/36/29/14/311362914.db2.gz ZUIUKRBWIASNNB-UHFFFAOYSA-N -1 3 349.394 2.459 10 70 EEIEHM CCCC[C@@H](NC(=O)NCC)C(=O)NCc1ccc([O-])c(F)c1 ZINC000159756776 463303957 /nfs/dbraw/zinc/30/39/57/463303957.db2.gz CRVAWWKMUFYXFF-CYBMUJFWSA-N -1 3 325.384 2.025 10 70 EEIEHM Cc1ccc(-c2nnc(NC(=O)c3cccc(-n4cncn4)c3)[n-]2)o1 ZINC000160293786 463327606 /nfs/dbraw/zinc/32/76/06/463327606.db2.gz MEWJWQWBYJIVHQ-UHFFFAOYSA-N -1 3 335.327 2.206 10 70 EEIEHM Cc1ccc(-c2n[n-]c(NC(=O)c3cccc(-n4cncn4)c3)n2)o1 ZINC000160293786 463327608 /nfs/dbraw/zinc/32/76/08/463327608.db2.gz MEWJWQWBYJIVHQ-UHFFFAOYSA-N -1 3 335.327 2.206 10 70 EEIEHM Cc1ccc(-c2nc(NC(=O)c3cccc(-n4cncn4)c3)n[n-]2)o1 ZINC000160293786 463327610 /nfs/dbraw/zinc/32/76/10/463327610.db2.gz MEWJWQWBYJIVHQ-UHFFFAOYSA-N -1 3 335.327 2.206 10 70 EEIEHM O=C(Cn1cc(-c2ccccc2)nn1)NCc1ccc([O-])c(F)c1 ZINC000161021170 463391525 /nfs/dbraw/zinc/39/15/25/463391525.db2.gz CZWPIIUJICVEBQ-UHFFFAOYSA-N -1 3 326.331 2.106 10 70 EEIEHM CC[C@@H]([N-]S(=O)(=O)c1ccc2c(c1)OCCO2)c1nccs1 ZINC000159945356 311348252 /nfs/dbraw/zinc/34/82/52/311348252.db2.gz SIFZFFQXWRMETE-LLVKDONJSA-N -1 3 340.426 2.344 10 70 EEIEHM Cc1cccc([C@H](NC(=O)C2CC3(C2)NC(=O)[N-]C3=O)C(C)(C)C)c1 ZINC000160233328 463324281 /nfs/dbraw/zinc/32/42/81/463324281.db2.gz MLXPFDSPZNDRSV-BIWSTMPVSA-N -1 3 343.427 2.187 10 70 EEIEHM O=C(NCc1ccc([O-])c(F)c1)N[C@@H]1CCN(c2ccccc2)C1=O ZINC000159539569 143799294 /nfs/dbraw/zinc/79/92/94/143799294.db2.gz MPBLPCBRECSJFA-OAHLLOKOSA-N -1 3 343.358 2.136 10 70 EEIEHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)C(=O)Nc3ccccc3)cc2)n1 ZINC000161175733 463406409 /nfs/dbraw/zinc/40/64/09/463406409.db2.gz LKYLFYQAWXUCOF-UHFFFAOYSA-N -1 3 348.362 2.323 10 70 EEIEHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)CCc3cnn(C)c3)cc2)n1 ZINC000161156642 463405372 /nfs/dbraw/zinc/40/53/72/463405372.db2.gz IITNVZBSYPMTRA-UHFFFAOYSA-N -1 3 337.383 2.050 10 70 EEIEHM CC(C)c1ccc([C@H]2CCCCN2C(=O)CN2CC(=O)[N-]C2=O)cc1 ZINC000160371520 528146295 /nfs/dbraw/zinc/14/62/95/528146295.db2.gz DHIJRBMXVBRCBG-MRXNPFEDSA-N -1 3 343.427 2.415 10 70 EEIEHM CCS(=O)(=O)[N-]c1ccc(NC(=O)[C@@H]2CC2(C)C)cc1OC ZINC000159863250 225292985 /nfs/dbraw/zinc/29/29/85/225292985.db2.gz SQYBNYGNOZQMST-NSHDSACASA-N -1 3 326.418 2.441 10 70 EEIEHM Cc1ccccc1[C@H](NC(=O)C1CC2(C1)NC(=O)[N-]C2=O)C(C)(C)C ZINC000160213670 302188011 /nfs/dbraw/zinc/18/80/11/302188011.db2.gz ISBZFFVNCAMCNL-MMSRSVNZSA-N -1 3 343.427 2.187 10 70 EEIEHM Cc1ccc(-c2nnc(NC(=O)C[C@H]3C(=O)Nc4ccccc43)[n-]2)o1 ZINC000160355443 463330482 /nfs/dbraw/zinc/33/04/82/463330482.db2.gz BANXCARSWRKSOB-LLVKDONJSA-N -1 3 337.339 2.438 10 70 EEIEHM Cc1ccc(-c2n[n-]c(NC(=O)C[C@H]3C(=O)Nc4ccccc43)n2)o1 ZINC000160355443 463330487 /nfs/dbraw/zinc/33/04/87/463330487.db2.gz BANXCARSWRKSOB-LLVKDONJSA-N -1 3 337.339 2.438 10 70 EEIEHM Cc1ccc(-c2nc(NC(=O)C[C@H]3C(=O)Nc4ccccc43)n[n-]2)o1 ZINC000160355443 463330491 /nfs/dbraw/zinc/33/04/91/463330491.db2.gz BANXCARSWRKSOB-LLVKDONJSA-N -1 3 337.339 2.438 10 70 EEIEHM CCc1cc(=O)[n-]c(CN2CCC(C(=O)N3CCCCCC3)CC2)n1 ZINC000160586839 463352831 /nfs/dbraw/zinc/35/28/31/463352831.db2.gz OLUXWTPQYNYILO-UHFFFAOYSA-N -1 3 346.475 2.359 10 70 EEIEHM CCCn1c(=O)[n-]nc1S(=O)(=O)Cc1cc(-c2ccccc2)on1 ZINC000160924400 463382339 /nfs/dbraw/zinc/38/23/39/463382339.db2.gz FJOBSEASNLOQOA-UHFFFAOYSA-N -1 3 348.384 2.023 10 70 EEIEHM Cc1ccc([C@H](C)NC(=O)c2cccc([C@]3(C)NC(=O)[N-]C3=O)c2)o1 ZINC000161253947 463413982 /nfs/dbraw/zinc/41/39/82/463413982.db2.gz QAJCKSMNUAMDPR-VOJFVSQTSA-N -1 3 341.367 2.134 10 70 EEIEHM Cc1ccc(-c2nnc(NC(=O)c3ccc(-n4cncn4)cc3)[n-]2)o1 ZINC000160310156 463326832 /nfs/dbraw/zinc/32/68/32/463326832.db2.gz BCYAEDCDJYJTAK-UHFFFAOYSA-N -1 3 335.327 2.206 10 70 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