smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH+]1CCN([C@H]2COC3(C2)CC[NH+](CC2CCOCC2)CC3)CC1 ZINC000096048868 441996600 /nfs/dbraw/zinc/99/66/00/441996600.db2.gz NFWVPHQJSQJUAO-GOSISDBHSA-N 2 1 337.508 1.284 40 0 EDABMP C[NH+](C)CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1ccc2c(c1)OCO2 ZINC000096186212 442060807 /nfs/dbraw/zinc/06/08/07/442060807.db2.gz OFFBFCJNZMXVLA-HZPDHXFCSA-N 2 1 345.443 1.542 40 0 EDABMP O=C(C[NH+]1CCCC1)N1CC[C@](O)(C[N@H+]2CCc3ccccc3C2)C1 ZINC000257323232 443146649 /nfs/dbraw/zinc/14/66/49/443146649.db2.gz WJGJXEGIJSPBBS-FQEVSTJZSA-N 2 1 343.471 1.104 40 0 EDABMP Nc1nc2c(c(N)n1)C[C@@]1(CCC[N@@H+](Cc3cccc(O)c3)CC1)O2 ZINC000257211060 443124748 /nfs/dbraw/zinc/12/47/48/443124748.db2.gz BXIXYDPKHHAVCR-SFHVURJKSA-N 2 1 341.415 1.706 40 0 EDABMP c1cc(C[N@H+]2CC[C@@H]3C[NH+](C4CCOCC4)CCO[C@@H]3C2)ccn1 ZINC000096249667 442103553 /nfs/dbraw/zinc/10/35/53/442103553.db2.gz UWVMDBCTJNPHSM-IEBWSBKVSA-N 2 1 331.460 1.783 40 0 EDABMP c1cc(C[NH+]2CC[C@@H]3C[N@@H+](C4CCOCC4)CCO[C@@H]3C2)ccn1 ZINC000096249667 442103554 /nfs/dbraw/zinc/10/35/54/442103554.db2.gz UWVMDBCTJNPHSM-IEBWSBKVSA-N 2 1 331.460 1.783 40 0 EDABMP c1cc(C[NH+]2CC[C@@H]3C[N@H+](C4CCOCC4)CCO[C@@H]3C2)ccn1 ZINC000096249667 442103555 /nfs/dbraw/zinc/10/35/55/442103555.db2.gz UWVMDBCTJNPHSM-IEBWSBKVSA-N 2 1 331.460 1.783 40 0 EDABMP Cn1nc(C2CCN(C(=O)[C@@H]3CCC[NH2+]C3)CC2)cc1C[NH+](C)C ZINC000019710236 202017312 /nfs/dbraw/zinc/01/73/12/202017312.db2.gz DMTOBOIEVOUGQC-OAHLLOKOSA-N 2 1 333.480 1.187 40 0 EDABMP C[NH+](C)CCOCc1nnc2n1CC[N@H+](Cc1ccsc1)CC2 ZINC000096058865 442007218 /nfs/dbraw/zinc/00/72/18/442007218.db2.gz ZHDFBSMYGKMQJE-UHFFFAOYSA-N 2 1 335.477 1.476 40 0 EDABMP CN1CC[NH+](C[C@@H]2OC[C@H]3C[N@@H+](Cc4cccc(F)c4)CC[C@@H]23)CC1 ZINC000096185271 442059376 /nfs/dbraw/zinc/05/93/76/442059376.db2.gz XTGKNDUGFSTZCB-RLLQIKCJSA-N 2 1 347.478 1.910 40 0 EDABMP C[NH+]1CCN(C[C@@H]2OC[C@H]3C[N@H+](Cc4cccc(F)c4)CC[C@@H]23)CC1 ZINC000096185271 442059378 /nfs/dbraw/zinc/05/93/78/442059378.db2.gz XTGKNDUGFSTZCB-RLLQIKCJSA-N 2 1 347.478 1.910 40 0 EDABMP C[NH+]1CCN(C[C@@H]2OC[C@H]3C[N@@H+](Cc4cccc(F)c4)CC[C@@H]23)CC1 ZINC000096185271 442059380 /nfs/dbraw/zinc/05/93/80/442059380.db2.gz XTGKNDUGFSTZCB-RLLQIKCJSA-N 2 1 347.478 1.910 40 0 EDABMP C[NH+](C)CC(=O)N(c1ccc(F)cc1)[C@H]1COC2(C1)CC[NH2+]CC2 ZINC000257339162 443153941 /nfs/dbraw/zinc/15/39/41/443153941.db2.gz ZALACKPMCIJWOI-MRXNPFEDSA-N 2 1 335.423 1.631 40 0 EDABMP C[NH+](C)Cc1cnc(CC2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)cn1 ZINC000257321895 443146862 /nfs/dbraw/zinc/14/68/62/443146862.db2.gz WDSQOUYHJFPQIE-SFHVURJKSA-N 2 1 345.491 1.414 40 0 EDABMP CCC[NH+]1CCC2(CC1)C[N@H+](C)Cc1nnc(-c3cccnc3)n12 ZINC000306144111 444288386 /nfs/dbraw/zinc/28/83/86/444288386.db2.gz YWHOMKDZUPFRJQ-UHFFFAOYSA-N 2 1 326.448 1.987 40 0 EDABMP CCC[NH+]1CCC2(CC1)C[N@@H+](C)Cc1nnc(-c3cccnc3)n12 ZINC000306144111 444288387 /nfs/dbraw/zinc/28/83/87/444288387.db2.gz YWHOMKDZUPFRJQ-UHFFFAOYSA-N 2 1 326.448 1.987 40 0 EDABMP C[NH+]1CCN(c2ncc3c(n2)CC[C@H]([NH2+]Cc2nccs2)C3)CC1 ZINC000306130983 444286354 /nfs/dbraw/zinc/28/63/54/444286354.db2.gz JUATWALSFWFUHT-AWEZNQCLSA-N 2 1 344.488 1.332 40 0 EDABMP C[C@H](Cc1ccccn1)NC(=O)C1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000019457020 202008609 /nfs/dbraw/zinc/00/86/09/202008609.db2.gz GITIQSKMMSYTGM-MRXNPFEDSA-N 2 1 344.503 1.935 40 0 EDABMP CN(C)c1cc(CC[C@@H]2C[N@H+](CC3(O)CCOCC3)CCO2)cc[nH+]1 ZINC000257277071 244394444 /nfs/dbraw/zinc/39/44/44/244394444.db2.gz NWHZTUYYFXRFCG-QGZVFWFLSA-N 2 1 349.475 1.323 40 0 EDABMP CN(C)c1cc(CC[C@@H]2C[N@@H+](CC3(O)CCOCC3)CCO2)cc[nH+]1 ZINC000257277071 244394449 /nfs/dbraw/zinc/39/44/49/244394449.db2.gz NWHZTUYYFXRFCG-QGZVFWFLSA-N 2 1 349.475 1.323 40 0 EDABMP CCOC(=O)[C@@]1(Cc2cc([C@H]3CCC[NH2+]C3)no2)CCC[N@@H+](C)C1 ZINC000012275172 441130325 /nfs/dbraw/zinc/13/03/25/441130325.db2.gz PTWLDRVNIUIKQH-KBXCAEBGSA-N 2 1 335.448 1.959 40 0 EDABMP CCC[NH+]1CCN(C(=O)c2cncc([C@H]3CCC[N@H+](C)C3)n2)CC1 ZINC000257223189 244190766 /nfs/dbraw/zinc/19/07/66/244190766.db2.gz DWHOJEFZJQHDGT-HNNXBMFYSA-N 2 1 331.464 1.454 40 0 EDABMP CCC[NH+]1CCN(C(=O)c2cncc([C@H]3CCC[N@@H+](C)C3)n2)CC1 ZINC000257223189 244190773 /nfs/dbraw/zinc/19/07/73/244190773.db2.gz DWHOJEFZJQHDGT-HNNXBMFYSA-N 2 1 331.464 1.454 40 0 EDABMP Cc1cc(C(=O)NCC[NH+]2CCCC2)nc([C@H]2CCC[N@H+](C)C2)n1 ZINC000072369319 203209511 /nfs/dbraw/zinc/20/95/11/203209511.db2.gz ZVIKFXIRQVVOQI-HNNXBMFYSA-N 2 1 331.464 1.420 40 0 EDABMP CCOC(=O)c1c[nH+]c2cc(OC)c(OC)cc2c1N1CC[NH2+]CC1 ZINC000062718762 441309015 /nfs/dbraw/zinc/30/90/15/441309015.db2.gz RZTFYDWEFRFKJT-UHFFFAOYSA-N 2 1 345.399 1.838 40 0 EDABMP COCC[N@H+]1CCOC[C@]2(CC[C@@H](C[NH+](C)Cc3cccnc3)O2)C1 ZINC000248021405 442877585 /nfs/dbraw/zinc/87/75/85/442877585.db2.gz FNNWWUWDPQERJP-OALUTQOASA-N 2 1 349.475 1.410 40 0 EDABMP COCC[NH+]1CCOC[C@]2(CC[C@@H](C[N@H+](C)Cc3cccnc3)O2)C1 ZINC000248021405 442877590 /nfs/dbraw/zinc/87/75/90/442877590.db2.gz FNNWWUWDPQERJP-OALUTQOASA-N 2 1 349.475 1.410 40 0 EDABMP COCC[NH+]1CCOC[C@]2(CC[C@@H](C[N@@H+](C)Cc3cccnc3)O2)C1 ZINC000248021405 442877594 /nfs/dbraw/zinc/87/75/94/442877594.db2.gz FNNWWUWDPQERJP-OALUTQOASA-N 2 1 349.475 1.410 40 0 EDABMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+](CC(=O)NCc2ccccn2)C1 ZINC000036752978 213117016 /nfs/dbraw/zinc/11/70/16/213117016.db2.gz VMKRUGLBPVEKDU-MRXNPFEDSA-N 2 1 327.432 1.615 40 0 EDABMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+](CC(=O)NCc2ccccn2)C1 ZINC000036752978 213117020 /nfs/dbraw/zinc/11/70/20/213117020.db2.gz VMKRUGLBPVEKDU-MRXNPFEDSA-N 2 1 327.432 1.615 40 0 EDABMP c1ccc(C[N@H+]2CCOC[C@]3(CC[C@H](C[NH+]4CCCC4)O3)C2)nc1 ZINC000096052341 442001833 /nfs/dbraw/zinc/00/18/33/442001833.db2.gz SNDXCMOLZYGYGD-MOPGFXCFSA-N 2 1 331.460 1.927 40 0 EDABMP c1ccc(C[N@@H+]2CCOC[C@]3(CC[C@H](C[NH+]4CCCC4)O3)C2)nc1 ZINC000096052341 442001838 /nfs/dbraw/zinc/00/18/38/442001838.db2.gz SNDXCMOLZYGYGD-MOPGFXCFSA-N 2 1 331.460 1.927 40 0 EDABMP O=C(NCC[NH+]1CCCC1)[C@@H]1C[C@H]2[C@H](CC[N@H+]2Cc2cccnc2)O1 ZINC000096186578 442062908 /nfs/dbraw/zinc/06/29/08/442062908.db2.gz UTGGNRWBCUHFTA-BZSNNMDCSA-N 2 1 344.459 1.025 40 0 EDABMP CN(C)C(=O)C[N@@H+]1CCOCC2(CC[NH+](Cc3ccco3)CC2)C1 ZINC000096239863 442099450 /nfs/dbraw/zinc/09/94/50/442099450.db2.gz ZZLXJQVDIIOOMI-UHFFFAOYSA-N 2 1 335.448 1.282 40 0 EDABMP CN(C)C(=O)C[N@H+]1CCOCC2(CC[NH+](Cc3ccco3)CC2)C1 ZINC000096239863 442099453 /nfs/dbraw/zinc/09/94/53/442099453.db2.gz ZZLXJQVDIIOOMI-UHFFFAOYSA-N 2 1 335.448 1.282 40 0 EDABMP Cn1cc(C[C@H]2[C@H](N3CC[NH+](C)CC3)CC[N@@H+]2Cc2ccco2)cn1 ZINC000096061725 442010133 /nfs/dbraw/zinc/01/01/33/442010133.db2.gz VDAAOLGJWXVVIO-MOPGFXCFSA-N 2 1 343.475 1.446 40 0 EDABMP Cn1cc(C[C@H]2[C@H](N3CC[NH+](C)CC3)CC[N@H+]2Cc2ccco2)cn1 ZINC000096061725 442010136 /nfs/dbraw/zinc/01/01/36/442010136.db2.gz VDAAOLGJWXVVIO-MOPGFXCFSA-N 2 1 343.475 1.446 40 0 EDABMP COCC[N@H+]1CCOC[C@@]2(CC[C@H](C[NH+](C)Cc3cccnc3)O2)C1 ZINC000096160647 442050196 /nfs/dbraw/zinc/05/01/96/442050196.db2.gz FNNWWUWDPQERJP-RTBURBONSA-N 2 1 349.475 1.410 40 0 EDABMP COCC[NH+]1CCOC[C@@]2(CC[C@H](C[N@H+](C)Cc3cccnc3)O2)C1 ZINC000096160647 442050202 /nfs/dbraw/zinc/05/02/02/442050202.db2.gz FNNWWUWDPQERJP-RTBURBONSA-N 2 1 349.475 1.410 40 0 EDABMP COCC[NH+]1CCOC[C@@]2(CC[C@H](C[N@@H+](C)Cc3cccnc3)O2)C1 ZINC000096160647 442050209 /nfs/dbraw/zinc/05/02/09/442050209.db2.gz FNNWWUWDPQERJP-RTBURBONSA-N 2 1 349.475 1.410 40 0 EDABMP C[NH+](C)CCN1CCO[C@@H]2C[N@@H+](Cc3ccc(F)cc3)CC[C@@H]2C1 ZINC000096249587 442102486 /nfs/dbraw/zinc/10/24/86/442102486.db2.gz BTJPZBDRDRVFBE-IEBWSBKVSA-N 2 1 335.467 1.910 40 0 EDABMP O=C(C[NH+]1CCCC1)N1CC[C@@](O)(C[N@H+]2CCc3ccccc3C2)C1 ZINC000257323233 443147068 /nfs/dbraw/zinc/14/70/68/443147068.db2.gz WJGJXEGIJSPBBS-HXUWFJFHSA-N 2 1 343.471 1.104 40 0 EDABMP COc1ccc(C[N@@H+]2C[C@@H]3COC[C@H](N4CC[NH+](C)CC4)[C@@H]3C2)cc1 ZINC000096185726 442061218 /nfs/dbraw/zinc/06/12/18/442061218.db2.gz SXFVPSZSJNNESO-RLLQIKCJSA-N 2 1 345.487 1.389 40 0 EDABMP COc1ccc(C[N@H+]2C[C@@H]3COC[C@H](N4CC[NH+](C)CC4)[C@@H]3C2)cc1 ZINC000096185726 442061224 /nfs/dbraw/zinc/06/12/24/442061224.db2.gz SXFVPSZSJNNESO-RLLQIKCJSA-N 2 1 345.487 1.389 40 0 EDABMP C(C[NH+]1CCCC1)OCc1nnn2c1C[N@@H+](C[C@@H]1CCOC1)CCC2 ZINC000096258990 442107229 /nfs/dbraw/zinc/10/72/29/442107229.db2.gz WMBDJHMZAZCBOY-INIZCTEOSA-N 2 1 349.479 1.133 40 0 EDABMP C[NH+]1CCC([N@@H+]2CCC[C@@H](Cc3cc(C(N)=O)ncn3)CC2)CC1 ZINC000257317589 443145128 /nfs/dbraw/zinc/14/51/28/443145128.db2.gz VKKHHNYSXDFWHJ-CQSZACIVSA-N 2 1 331.464 1.314 40 0 EDABMP C[NH+]1CCC([N@H+]2CCC[C@@H](Cc3cc(C(N)=O)ncn3)CC2)CC1 ZINC000257317589 443145131 /nfs/dbraw/zinc/14/51/31/443145131.db2.gz VKKHHNYSXDFWHJ-CQSZACIVSA-N 2 1 331.464 1.314 40 0 EDABMP CN(C)c1cc(CC[C@H]2CN(C(=O)C3CC[NH2+]CC3)CCO2)cc[nH+]1 ZINC000257283382 443129415 /nfs/dbraw/zinc/12/94/15/443129415.db2.gz OYBAIPCKJFMEEY-KRWDZBQOSA-N 2 1 346.475 1.307 40 0 EDABMP c1ccc(C[N@H+]2CCOC[C@@]3(CC[C@@H](C[NH+]4CCCC4)O3)C2)nc1 ZINC000253596539 244031055 /nfs/dbraw/zinc/03/10/55/244031055.db2.gz SNDXCMOLZYGYGD-RBUKOAKNSA-N 2 1 331.460 1.927 40 0 EDABMP c1ccc(C[N@@H+]2CCOC[C@@]3(CC[C@@H](C[NH+]4CCCC4)O3)C2)nc1 ZINC000253596539 244031065 /nfs/dbraw/zinc/03/10/65/244031065.db2.gz SNDXCMOLZYGYGD-RBUKOAKNSA-N 2 1 331.460 1.927 40 0 EDABMP c1cc(C[N@H+]2CCOC[C@]3(C[C@H](C[NH+]4CCCC4)CO3)C2)ccn1 ZINC000096052029 441999791 /nfs/dbraw/zinc/99/97/91/441999791.db2.gz MDFLFNLRLXNNOU-MOPGFXCFSA-N 2 1 331.460 1.785 40 0 EDABMP c1cc(C[N@@H+]2CCOC[C@]3(C[C@H](C[NH+]4CCCC4)CO3)C2)ccn1 ZINC000096052029 441999795 /nfs/dbraw/zinc/99/97/95/441999795.db2.gz MDFLFNLRLXNNOU-MOPGFXCFSA-N 2 1 331.460 1.785 40 0 EDABMP C[N@H+]1CCC[C@@H](CNC(=O)c2ccccc2-n2cc(C[NH3+])cn2)C1 ZINC000257214891 536364446 /nfs/dbraw/zinc/36/44/46/536364446.db2.gz CNWRHTHKALIHRI-AWEZNQCLSA-N 2 1 327.432 1.403 40 0 EDABMP c1cncc(C[N@H+]2CCOC[C@]3(CC[C@H](C[NH+]4CCCC4)O3)C2)c1 ZINC000096052343 442000892 /nfs/dbraw/zinc/00/08/92/442000892.db2.gz FZTUUTIRZIHIFQ-MOPGFXCFSA-N 2 1 331.460 1.927 40 0 EDABMP c1cncc(C[N@@H+]2CCOC[C@]3(CC[C@H](C[NH+]4CCCC4)O3)C2)c1 ZINC000096052343 442000898 /nfs/dbraw/zinc/00/08/98/442000898.db2.gz FZTUUTIRZIHIFQ-MOPGFXCFSA-N 2 1 331.460 1.927 40 0 EDABMP C[NH+](C)C[C@H]1CC[C@]2(COCC[N@H+](Cc3ccc4c(c3)OCO4)C2)O1 ZINC000248125016 442883183 /nfs/dbraw/zinc/88/31/83/442883183.db2.gz OJPUKMKVQWLMGV-APWZRJJASA-N 2 1 348.443 1.727 40 0 EDABMP C[NH+](C)C[C@H]1CC[C@]2(COCC[N@@H+](Cc3ccc4c(c3)OCO4)C2)O1 ZINC000248125016 442883189 /nfs/dbraw/zinc/88/31/89/442883189.db2.gz OJPUKMKVQWLMGV-APWZRJJASA-N 2 1 348.443 1.727 40 0 EDABMP Cn1cc(C[NH+]2CCC3(C[N@@H+](C)C[C@@H]3COCC3CC3)CC2)cn1 ZINC000585102742 448686390 /nfs/dbraw/zinc/68/63/90/448686390.db2.gz CSBZDICFUYLFLG-GOSISDBHSA-N 2 1 332.492 1.991 40 0 EDABMP CCC[NH+]1CCN(C(=O)c2cc([C@@H]3CCC[N@H+](C)C3)nc(C)n2)CC1 ZINC000257284984 443130392 /nfs/dbraw/zinc/13/03/92/443130392.db2.gz PFDRLDWHTOEUAC-MRXNPFEDSA-N 2 1 345.491 1.762 40 0 EDABMP CCC[NH+]1CCN(C(=O)c2cc([C@@H]3CCC[N@@H+](C)C3)nc(C)n2)CC1 ZINC000257284984 443130394 /nfs/dbraw/zinc/13/03/94/443130394.db2.gz PFDRLDWHTOEUAC-MRXNPFEDSA-N 2 1 345.491 1.762 40 0 EDABMP Cc1[nH+]ccn1CC1(O)CC[NH+](C[C@@H](O)c2ccc(F)cc2)CC1 ZINC000019287933 441255203 /nfs/dbraw/zinc/25/52/03/441255203.db2.gz CIKFPAWFCMJKNL-QGZVFWFLSA-N 2 1 333.407 1.891 40 0 EDABMP COc1ccc(C[N@H+]2CCOC[C@]3(C[C@H](C[NH+](C)C)CO3)C2)cc1 ZINC000096051942 442000122 /nfs/dbraw/zinc/00/01/22/442000122.db2.gz OUECYEPEFWWLKF-MJGOQNOKSA-N 2 1 334.460 1.864 40 0 EDABMP C[NH+]1CCN(C(=O)C[C@@H]2CC3(CC[NH2+]CC3)c3ccccc32)CC1 ZINC000306124916 444285174 /nfs/dbraw/zinc/28/51/74/444285174.db2.gz CCAZXZBTUBLAKL-MRXNPFEDSA-N 2 1 327.472 1.959 40 0 EDABMP C[NH+](C)CCOC[C@H]1Cn2nccc2C[N@H+](Cc2ccccn2)C1 ZINC000096188969 442066248 /nfs/dbraw/zinc/06/62/48/442066248.db2.gz SAONKBMGJSGFMV-MRXNPFEDSA-N 2 1 329.448 1.488 40 0 EDABMP C[NH+](C)CCOC[C@H]1Cn2nccc2C[N@@H+](Cc2ccccn2)C1 ZINC000096188969 442066257 /nfs/dbraw/zinc/06/62/57/442066257.db2.gz SAONKBMGJSGFMV-MRXNPFEDSA-N 2 1 329.448 1.488 40 0 EDABMP CC1CC[NH+]([C@H]2[C@@H](C[NH2+]C3CCCCC3)O[C@@H](CO)[C@H]2O)CC1 ZINC000020466030 212135094 /nfs/dbraw/zinc/13/50/94/212135094.db2.gz XKJYRWWNDZAZDB-VSZNYVQBSA-N 2 1 326.481 1.130 40 0 biogenic,in-vitro EDABMP C[N@@H+]1Cc2nnc(-c3cccnc3)n2C2(CC[NH+](CC3CC3)CC2)C1 ZINC000306139939 444287145 /nfs/dbraw/zinc/28/71/45/444287145.db2.gz UERPZNLCOSLUAL-UHFFFAOYSA-N 2 1 338.459 1.987 40 0 EDABMP C[N@H+]1Cc2nnc(-c3cccnc3)n2C2(CC[NH+](CC3CC3)CC2)C1 ZINC000306139939 444287147 /nfs/dbraw/zinc/28/71/47/444287147.db2.gz UERPZNLCOSLUAL-UHFFFAOYSA-N 2 1 338.459 1.987 40 0 EDABMP C[NH+](C)Cc1cnn(-c2ccccc2C(=O)N[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000257240577 536060922 /nfs/dbraw/zinc/06/09/22/536060922.db2.gz HUEBSTFOWXQYFJ-MRXNPFEDSA-N 2 1 341.459 1.758 40 0 EDABMP Cn1ccnc1C[N@@H+]1CC[C@@H]2O[C@@H](COCC[NH+]3CCCC3)CC[C@@H]21 ZINC000096064785 442012094 /nfs/dbraw/zinc/01/20/94/442012094.db2.gz QQOXEKMJUBYVPP-SQNIBIBYSA-N 2 1 348.491 1.654 40 0 EDABMP Cn1ccnc1C[N@H+]1CC[C@@H]2O[C@@H](COCC[NH+]3CCCC3)CC[C@@H]21 ZINC000096064785 442012098 /nfs/dbraw/zinc/01/20/98/442012098.db2.gz QQOXEKMJUBYVPP-SQNIBIBYSA-N 2 1 348.491 1.654 40 0 EDABMP Cc1ccc(C[N@H+]2Cc3ccnn3C[C@H](C(=O)NCC[NH+](C)C)C2)o1 ZINC000096188836 442067390 /nfs/dbraw/zinc/06/73/90/442067390.db2.gz WENSYPLULXFFQP-OAHLLOKOSA-N 2 1 345.447 1.094 40 0 EDABMP Cc1ccc(C[N@@H+]2Cc3ccnn3C[C@H](C(=O)NCC[NH+](C)C)C2)o1 ZINC000096188836 442067392 /nfs/dbraw/zinc/06/73/92/442067392.db2.gz WENSYPLULXFFQP-OAHLLOKOSA-N 2 1 345.447 1.094 40 0 EDABMP Cn1cc(C[N@H+]2CC[C@@H]3O[C@H](COCC[NH+]4CCCC4)CC[C@@H]32)cn1 ZINC000096186091 442061606 /nfs/dbraw/zinc/06/16/06/442061606.db2.gz SHDUAHAYYDVSSA-FHWLQOOXSA-N 2 1 348.491 1.654 40 0 EDABMP c1ccc(C[N@H+]2CCOC[C@@]3(CC[C@H](C[NH+]4CCCC4)O3)C2)nc1 ZINC000096052342 442001608 /nfs/dbraw/zinc/00/16/08/442001608.db2.gz SNDXCMOLZYGYGD-RTBURBONSA-N 2 1 331.460 1.927 40 0 EDABMP c1ccc(C[N@@H+]2CCOC[C@@]3(CC[C@H](C[NH+]4CCCC4)O3)C2)nc1 ZINC000096052342 442001613 /nfs/dbraw/zinc/00/16/13/442001613.db2.gz SNDXCMOLZYGYGD-RTBURBONSA-N 2 1 331.460 1.927 40 0 EDABMP Cn1cc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccncc4)CCO[C@@H]3C2)cn1 ZINC000096055177 442003515 /nfs/dbraw/zinc/00/35/15/442003515.db2.gz JMUSMSCRIPKWPQ-RTBURBONSA-N 2 1 341.459 1.538 40 0 EDABMP Cn1cc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccncc4)CCO[C@@H]3C2)cn1 ZINC000096055177 442003519 /nfs/dbraw/zinc/00/35/19/442003519.db2.gz JMUSMSCRIPKWPQ-RTBURBONSA-N 2 1 341.459 1.538 40 0 EDABMP Cn1cc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccncc4)CCO[C@@H]3C2)cn1 ZINC000096055177 442003523 /nfs/dbraw/zinc/00/35/23/442003523.db2.gz JMUSMSCRIPKWPQ-RTBURBONSA-N 2 1 341.459 1.538 40 0 EDABMP Cn1cc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccncc4)CCO[C@@H]3C2)cn1 ZINC000096055177 442003526 /nfs/dbraw/zinc/00/35/26/442003526.db2.gz JMUSMSCRIPKWPQ-RTBURBONSA-N 2 1 341.459 1.538 40 0 EDABMP C[C@@H]1C[N@@H+](Cc2cccnc2)C[C@]12CCN(CC[NH+]1CCCC1)C2=O ZINC000096201714 442076234 /nfs/dbraw/zinc/07/62/34/442076234.db2.gz IZLRNFRGKOLIFV-YLJYHZDGSA-N 2 1 342.487 1.848 40 0 EDABMP C[NH+]1CCC(COC[C@H]2CC[C@H]3[C@H](CC[N@H+]3[C@H]3CCOC3)O2)CC1 ZINC000096064791 442012244 /nfs/dbraw/zinc/01/22/44/442012244.db2.gz JBNLUMBLMXQMSH-RDGPPVDQSA-N 2 1 338.492 1.756 40 0 EDABMP CN1CC[NH+](C[C@@H]2OC[C@H]3C[N@@H+](CCc4ccccc4)CC[C@@H]23)CC1 ZINC000107201814 441404234 /nfs/dbraw/zinc/40/42/34/441404234.db2.gz DUTFFPJOWDFWMY-NJYVYQBISA-N 2 1 343.515 1.813 40 0 EDABMP C[NH+]1CCN(C[C@@H]2OC[C@H]3C[N@H+](CCc4ccccc4)CC[C@@H]23)CC1 ZINC000107201814 441404236 /nfs/dbraw/zinc/40/42/36/441404236.db2.gz DUTFFPJOWDFWMY-NJYVYQBISA-N 2 1 343.515 1.813 40 0 EDABMP C[NH+]1CCN(C[C@@H]2OC[C@H]3C[N@@H+](CCc4ccccc4)CC[C@@H]23)CC1 ZINC000107201814 441404237 /nfs/dbraw/zinc/40/42/37/441404237.db2.gz DUTFFPJOWDFWMY-NJYVYQBISA-N 2 1 343.515 1.813 40 0 EDABMP C[NH+](C)CCN1CCOC[C@@]2(C[N@H+](Cc3cccs3)CCO2)C1 ZINC000096049772 441997659 /nfs/dbraw/zinc/99/76/59/441997659.db2.gz UXOVFFIUPNLMJI-KRWDZBQOSA-N 2 1 339.505 1.213 40 0 EDABMP C[NH+](C)CCN1CCOC[C@@]2(C[N@@H+](Cc3cccs3)CCO2)C1 ZINC000096049772 441997664 /nfs/dbraw/zinc/99/76/64/441997664.db2.gz UXOVFFIUPNLMJI-KRWDZBQOSA-N 2 1 339.505 1.213 40 0 EDABMP C[NH+](C)CCO[C@@H]1C[C@H]2CN(Cc3ccc4c(c3)OCO4)CC[N@H+]2C1 ZINC000096183160 442056324 /nfs/dbraw/zinc/05/63/24/442056324.db2.gz QQCVBUODOMJFBT-DLBZAZTESA-N 2 1 347.459 1.252 40 0 EDABMP C[NH+]1CCN(c2ncc(-c3ccncc3)c([C@H]3CCC[NH2+]C3)n2)CC1 ZINC000257332338 273900797 /nfs/dbraw/zinc/90/07/97/273900797.db2.gz XWVXRRUWDHAXKF-INIZCTEOSA-N 2 1 338.459 1.757 40 0 EDABMP C[NH+](C)CCOCc1nnn2c1C[N@H+](Cc1cccnc1)CCC2 ZINC000096084341 442024641 /nfs/dbraw/zinc/02/46/41/442024641.db2.gz GUAJSORIRGPRIM-UHFFFAOYSA-N 2 1 330.436 1.157 40 0 EDABMP C[NH+](C)CCOCc1nnn2c1C[N@@H+](Cc1cccnc1)CCC2 ZINC000096084341 442024647 /nfs/dbraw/zinc/02/46/47/442024647.db2.gz GUAJSORIRGPRIM-UHFFFAOYSA-N 2 1 330.436 1.157 40 0 EDABMP C[NH+](C)CCN1C(=O)CC[C@@]12CCC[N@@H+](Cc1cccnc1)CC2 ZINC000096217710 442087807 /nfs/dbraw/zinc/08/78/07/442087807.db2.gz KBDQYJDURGYAHD-LJQANCHMSA-N 2 1 330.476 1.990 40 0 EDABMP Nc1nc2c(c(N)n1)C[C@@]1(CCC[N@@H+](Cc3ccncc3)CC1)O2 ZINC000257200606 443124240 /nfs/dbraw/zinc/12/42/40/443124240.db2.gz AEAIMMXWLVLXRR-KRWDZBQOSA-N 2 1 326.404 1.396 40 0 EDABMP C[NH+](C)CCn1c(=O)ccc2c1CC[N@@H+](Cc1cccnc1)CC2 ZINC000096196649 442069574 /nfs/dbraw/zinc/06/95/74/442069574.db2.gz ZAPBIRIWZVQVQS-UHFFFAOYSA-N 2 1 326.444 1.406 40 0 EDABMP C[NH+]1CCN(C(=O)C[C@H]2C[C@H]3C[N@H+](Cc4ccsc4)C[C@H]3O2)CC1 ZINC000096207268 442081370 /nfs/dbraw/zinc/08/13/70/442081370.db2.gz MBAYCLYXSCFFTD-GVDBMIGSSA-N 2 1 349.500 1.502 40 0 EDABMP C[NH+]1CCN(C(=O)C[C@H]2C[C@H]3C[N@@H+](Cc4ccsc4)C[C@H]3O2)CC1 ZINC000096207268 442081373 /nfs/dbraw/zinc/08/13/73/442081373.db2.gz MBAYCLYXSCFFTD-GVDBMIGSSA-N 2 1 349.500 1.502 40 0 EDABMP C[NH+](C)C[C@H]1CC[C@@]2(COCC[N@H+](Cc3ccc4c(c3)OCO4)C2)O1 ZINC000248125019 442883334 /nfs/dbraw/zinc/88/33/34/442883334.db2.gz OJPUKMKVQWLMGV-VQIMIIECSA-N 2 1 348.443 1.727 40 0 EDABMP C[NH+](C)C[C@H]1CC[C@@]2(COCC[N@@H+](Cc3ccc4c(c3)OCO4)C2)O1 ZINC000248125019 442883339 /nfs/dbraw/zinc/88/33/39/442883339.db2.gz OJPUKMKVQWLMGV-VQIMIIECSA-N 2 1 348.443 1.727 40 0 EDABMP C[NH+](C)CC(=O)N(c1ccc(F)cc1)[C@@H]1COC2(C1)CC[NH2+]CC2 ZINC000257339161 443154196 /nfs/dbraw/zinc/15/41/96/443154196.db2.gz ZALACKPMCIJWOI-INIZCTEOSA-N 2 1 335.423 1.631 40 0 EDABMP C[NH+]1CCN(C[C@H]2OC[C@@H]3CC[N@@H+](Cc4cccc(F)c4)C[C@@H]32)CC1 ZINC000306135920 444286521 /nfs/dbraw/zinc/28/65/21/444286521.db2.gz PEJZPTKVRANILE-YSIASYRMSA-N 2 1 347.478 1.910 40 0 EDABMP CN1CC[NH+](C[C@H]2OC[C@@H]3CC[N@H+](Cc4cccc(F)c4)C[C@@H]32)CC1 ZINC000306135920 444286523 /nfs/dbraw/zinc/28/65/23/444286523.db2.gz PEJZPTKVRANILE-YSIASYRMSA-N 2 1 347.478 1.910 40 0 EDABMP CN1CC[NH+](C[C@H]2OC[C@@H]3CC[N@@H+](Cc4cccc(F)c4)C[C@@H]32)CC1 ZINC000306135920 444286525 /nfs/dbraw/zinc/28/65/25/444286525.db2.gz PEJZPTKVRANILE-YSIASYRMSA-N 2 1 347.478 1.910 40 0 EDABMP COCC[N@H+]1CCC[C@H]1CNC(=O)N1CCC[C@H](c2ncc[nH]2)C1 ZINC000332823890 141239892 /nfs/dbraw/zinc/23/98/92/141239892.db2.gz GORFUKMZFZTXGJ-GJZGRUSLSA-N 2 1 335.452 1.410 40 0 EDABMP c1ccc(C[N@@H+]2CCC[C@@]3(C[C@@H](C[NH+]4CCOCC4)CO3)C2)nc1 ZINC000107790459 441430753 /nfs/dbraw/zinc/43/07/53/441430753.db2.gz BPLOUSSOLLXXLJ-PKOBYXMFSA-N 2 1 331.460 1.785 40 0 EDABMP CC(C)[N@H+]1[C@H](Cn2cncn2)C[C@@H]2C[NH+](C[C@@H]3CCOC3)CC[C@@H]21 ZINC000096185640 442059960 /nfs/dbraw/zinc/05/99/60/442059960.db2.gz AWXUIIIUBATQGI-MHORFTMASA-N 2 1 333.480 1.488 40 0 EDABMP CC(C)[NH+]1[C@H](Cn2cncn2)C[C@@H]2C[N@H+](C[C@@H]3CCOC3)CC[C@@H]21 ZINC000096185640 442059966 /nfs/dbraw/zinc/05/99/66/442059966.db2.gz AWXUIIIUBATQGI-MHORFTMASA-N 2 1 333.480 1.488 40 0 EDABMP CC(C)[NH+]1[C@H](Cn2cncn2)C[C@@H]2C[N@@H+](C[C@@H]3CCOC3)CC[C@@H]21 ZINC000096185640 442059968 /nfs/dbraw/zinc/05/99/68/442059968.db2.gz AWXUIIIUBATQGI-MHORFTMASA-N 2 1 333.480 1.488 40 0 EDABMP COCC[N@@H+]1CC2(C[C@H]1COC)CC[NH+](Cc1cc(C)on1)CC2 ZINC000096208489 442083345 /nfs/dbraw/zinc/08/33/45/442083345.db2.gz BEULSADPWJXPQO-KRWDZBQOSA-N 2 1 337.464 1.932 40 0 EDABMP COCC[N@H+]1CC2(C[C@H]1COC)CC[NH+](Cc1cc(C)on1)CC2 ZINC000096208489 442083349 /nfs/dbraw/zinc/08/33/49/442083349.db2.gz BEULSADPWJXPQO-KRWDZBQOSA-N 2 1 337.464 1.932 40 0 EDABMP Cn1cncc1C[N@H+]1CC[C@H]2OCCN(CC[NH+]3CCCC3)[C@H]2CC1 ZINC000096249353 279391545 /nfs/dbraw/zinc/39/15/45/279391545.db2.gz HARWFUYIDBABLF-RBUKOAKNSA-N 2 1 347.507 1.181 40 0 EDABMP CNC(=O)Oc1cc(C[NH+](C)C)c(OC(=O)NC)cc1C[NH+](C)C ZINC000001671481 440850742 /nfs/dbraw/zinc/85/07/42/440850742.db2.gz FQYGLASRTKDTKS-UHFFFAOYSA-N 2 1 338.408 1.246 40 0 EDABMP Cc1[nH+]ccn1CC1(O)CC[NH+](C[C@H](O)c2ccc(F)cc2)CC1 ZINC000019287935 441255005 /nfs/dbraw/zinc/25/50/05/441255005.db2.gz CIKFPAWFCMJKNL-KRWDZBQOSA-N 2 1 333.407 1.891 40 0 EDABMP Cn1ccnc1-c1nccnc1C[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000257224781 244198012 /nfs/dbraw/zinc/19/80/12/244198012.db2.gz FDIFZWSSCKWEGV-HNNXBMFYSA-N 2 1 340.475 1.836 40 0 EDABMP Cn1ccnc1-c1nccnc1C[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000257224781 244198016 /nfs/dbraw/zinc/19/80/16/244198016.db2.gz FDIFZWSSCKWEGV-HNNXBMFYSA-N 2 1 340.475 1.836 40 0 EDABMP CC[NH+](CC)CCN[C@@H]1CC[N@@H+](Cc2ccccc2OC)C[C@H]1O ZINC000057742172 441133045 /nfs/dbraw/zinc/13/30/45/441133045.db2.gz WDRFBVJNDPHLOV-QZTJIDSGSA-N 2 1 335.492 1.562 40 0 EDABMP C(C1CCOCC1)[N@H+]1CCOC[C@]2(CC[NH+](C3CCOCC3)C2)C1 ZINC000096062338 442009152 /nfs/dbraw/zinc/00/91/52/442009152.db2.gz XANRXDAMMQTVAV-LJQANCHMSA-N 2 1 338.492 1.616 40 0 EDABMP C(C1CCOCC1)[NH+]1CCOC[C@]2(CC[N@@H+](C3CCOCC3)C2)C1 ZINC000096062338 442009159 /nfs/dbraw/zinc/00/91/59/442009159.db2.gz XANRXDAMMQTVAV-LJQANCHMSA-N 2 1 338.492 1.616 40 0 EDABMP C(C1CCOCC1)[NH+]1CCOC[C@]2(CC[N@H+](C3CCOCC3)C2)C1 ZINC000096062338 442009163 /nfs/dbraw/zinc/00/91/63/442009163.db2.gz XANRXDAMMQTVAV-LJQANCHMSA-N 2 1 338.492 1.616 40 0 EDABMP CCc1[nH+]ccn1CCC(=O)N[C@@H]1CCCC[C@@H]([NH+]2CCCC2)[C@@H]1O ZINC000257332095 443151196 /nfs/dbraw/zinc/15/11/96/443151196.db2.gz XVSQEHOVFOXSND-GPMSIDNRSA-N 2 1 348.491 1.720 40 0 EDABMP O=C(NCC[NH+]1CCCC1)[C@@H]1C[C@@H]2[C@@H](CC[N@H+]2Cc2ccoc2)O1 ZINC000096110709 442036436 /nfs/dbraw/zinc/03/64/36/442036436.db2.gz JLSSCNIAWHLPGJ-ZACQAIPSSA-N 2 1 333.432 1.223 40 0 EDABMP c1cc(C[N@H+]2CCO[C@@H]3C[NH+](C4CCOCC4)CC[C@@H]3C2)ccn1 ZINC000096249721 442102378 /nfs/dbraw/zinc/10/23/78/442102378.db2.gz KNIICJKYSKMUAG-IEBWSBKVSA-N 2 1 331.460 1.783 40 0 EDABMP c1cc(C[NH+]2CCO[C@@H]3C[N@@H+](C4CCOCC4)CC[C@@H]3C2)ccn1 ZINC000096249721 442102383 /nfs/dbraw/zinc/10/23/83/442102383.db2.gz KNIICJKYSKMUAG-IEBWSBKVSA-N 2 1 331.460 1.783 40 0 EDABMP c1cc(C[NH+]2CCO[C@@H]3C[N@H+](C4CCOCC4)CC[C@@H]3C2)ccn1 ZINC000096249721 442102390 /nfs/dbraw/zinc/10/23/90/442102390.db2.gz KNIICJKYSKMUAG-IEBWSBKVSA-N 2 1 331.460 1.783 40 0 EDABMP CCC[NH+]1CCN(C(=O)c2cc([C@H]3CCC[N@H+](C)C3)nc(C)n2)CC1 ZINC000257284983 443130338 /nfs/dbraw/zinc/13/03/38/443130338.db2.gz PFDRLDWHTOEUAC-INIZCTEOSA-N 2 1 345.491 1.762 40 0 EDABMP CCC[NH+]1CCN(C(=O)c2cc([C@H]3CCC[N@@H+](C)C3)nc(C)n2)CC1 ZINC000257284983 443130341 /nfs/dbraw/zinc/13/03/41/443130341.db2.gz PFDRLDWHTOEUAC-INIZCTEOSA-N 2 1 345.491 1.762 40 0 EDABMP C[NH+](C)CCO[C@H]1C[N@@H+](Cc2ccc3c(c2)OCO3)[C@@H]2COC[C@H]12 ZINC000096184986 442058286 /nfs/dbraw/zinc/05/82/86/442058286.db2.gz RBXHFQGLBWBTSI-DAYGRLMNSA-N 2 1 334.416 1.193 40 0 EDABMP C[NH+](C)CCOCc1nnn2c1C[N@H+](Cc1ccncc1)CCC2 ZINC000096058830 442006456 /nfs/dbraw/zinc/00/64/56/442006456.db2.gz HXMMJXYNXKUPKW-UHFFFAOYSA-N 2 1 330.436 1.157 40 0 EDABMP C[NH+](C)CCOCc1nnn2c1C[N@@H+](Cc1ccncc1)CCC2 ZINC000096058830 442006458 /nfs/dbraw/zinc/00/64/58/442006458.db2.gz HXMMJXYNXKUPKW-UHFFFAOYSA-N 2 1 330.436 1.157 40 0 EDABMP C[NH+](C)C[C@@H]1C[C@@H]2C[N@H+]([C@H]3CCOC3)CC[C@@H]2N1c1nccs1 ZINC000107203052 204227651 /nfs/dbraw/zinc/22/76/51/204227651.db2.gz GFUPWYIPEOIFLO-UGUYLWEFSA-N 2 1 336.505 1.763 40 0 EDABMP c1cncc(C[N@H+]2CCOC[C@]3(C[C@@H](C[NH+]4CCCC4)CO3)C2)c1 ZINC000107738826 204246952 /nfs/dbraw/zinc/24/69/52/204246952.db2.gz QGXSIALJKWBLOP-OALUTQOASA-N 2 1 331.460 1.785 40 0 EDABMP c1cncc(C[N@@H+]2CCOC[C@]3(C[C@@H](C[NH+]4CCCC4)CO3)C2)c1 ZINC000107738826 204246955 /nfs/dbraw/zinc/24/69/55/204246955.db2.gz QGXSIALJKWBLOP-OALUTQOASA-N 2 1 331.460 1.785 40 0 EDABMP c1cc(C[N@H+]2CCOC[C@@]3(C[C@@H](C[NH+]4CCCC4)CO3)C2)ccn1 ZINC000107738833 204247724 /nfs/dbraw/zinc/24/77/24/204247724.db2.gz MDFLFNLRLXNNOU-RBUKOAKNSA-N 2 1 331.460 1.785 40 0 EDABMP c1cc(C[N@@H+]2CCOC[C@@]3(C[C@@H](C[NH+]4CCCC4)CO3)C2)ccn1 ZINC000107738833 204247726 /nfs/dbraw/zinc/24/77/26/204247726.db2.gz MDFLFNLRLXNNOU-RBUKOAKNSA-N 2 1 331.460 1.785 40 0 EDABMP C(C[NH+]1CCCC1)OCc1nnn2c1C[N@@H+](C[C@H]1CCOC1)CCC2 ZINC000096258991 442107547 /nfs/dbraw/zinc/10/75/47/442107547.db2.gz WMBDJHMZAZCBOY-MRXNPFEDSA-N 2 1 349.479 1.133 40 0 EDABMP CC(C)[N@H+]1CCOC[C@@]2(CC[C@@H](CNc3cc(N(C)C)ncn3)O2)C1 ZINC000248070925 442880833 /nfs/dbraw/zinc/88/08/33/442880833.db2.gz AWPUDCWVABNVPE-MAUKXSAKSA-N 2 1 349.479 1.613 40 0 EDABMP C[N@H+]1CCC[C@H]1CCNC(=O)c1ccccc1-n1cc(C[NH3+])cn1 ZINC000257283587 443130436 /nfs/dbraw/zinc/13/04/36/443130436.db2.gz OYXJLPDINHJXCF-HNNXBMFYSA-N 2 1 327.432 1.545 40 0 EDABMP C[NH+]1CCN([C@@H]2CC[N@H+](C[C@H]3CCOC3)[C@H]2Cc2cccnc2)CC1 ZINC000096070041 442017175 /nfs/dbraw/zinc/01/71/75/442017175.db2.gz HARQSXIXHFXPSW-AQNXPRMDSA-N 2 1 344.503 1.351 40 0 EDABMP C[NH+]1CCN([C@@H]2CC[N@@H+](C[C@H]3CCOC3)[C@H]2Cc2cccnc2)CC1 ZINC000096070041 442017178 /nfs/dbraw/zinc/01/71/78/442017178.db2.gz HARQSXIXHFXPSW-AQNXPRMDSA-N 2 1 344.503 1.351 40 0 EDABMP C[NH+](C)Cc1cccc([C@H]2CCCN2C(=O)CC[NH+]2CCOCC2)n1 ZINC000257199659 282149783 /nfs/dbraw/zinc/14/97/83/282149783.db2.gz AAIQMEBQUZJRPR-GOSISDBHSA-N 2 1 346.475 1.529 40 0 EDABMP COCC[N@H+]1CCC[C@H]1CNC(=O)N1CCC[C@@H](c2ncc[nH]2)C1 ZINC000332823888 141239669 /nfs/dbraw/zinc/23/96/69/141239669.db2.gz GORFUKMZFZTXGJ-CABCVRRESA-N 2 1 335.452 1.410 40 0 EDABMP CC(=O)N1[C@H](C[NH+](C)C)C[C@@H]2C[N@@H+](Cc3cccc(C)n3)CC[C@@H]21 ZINC000107202979 204228410 /nfs/dbraw/zinc/22/84/10/204228410.db2.gz SSQTUCXVOYKHJV-NEWSRXKRSA-N 2 1 330.476 1.763 40 0 EDABMP Cn1cc(C[NH+]2CCC3(CC2)C[N@H+](Cc2cccnc2)CCO3)cn1 ZINC000096158793 442048441 /nfs/dbraw/zinc/04/84/41/442048441.db2.gz DRXVUCMWLMGTGJ-UHFFFAOYSA-N 2 1 341.459 1.682 40 0 EDABMP Cn1cc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2cccnc2)CCO3)cn1 ZINC000096158793 442048446 /nfs/dbraw/zinc/04/84/46/442048446.db2.gz DRXVUCMWLMGTGJ-UHFFFAOYSA-N 2 1 341.459 1.682 40 0 EDABMP CN1CC[NH+](C[C@@H]2OC[C@H]3C[N@@H+](Cc4ccncc4)CC[C@H]32)CC1 ZINC000096185270 442060227 /nfs/dbraw/zinc/06/02/27/442060227.db2.gz QZKIYFFBWBPVGJ-QRVBRYPASA-N 2 1 330.476 1.166 40 0 EDABMP C[NH+]1CCN(C[C@@H]2OC[C@H]3C[N@H+](Cc4ccncc4)CC[C@H]32)CC1 ZINC000096185270 442060229 /nfs/dbraw/zinc/06/02/29/442060229.db2.gz QZKIYFFBWBPVGJ-QRVBRYPASA-N 2 1 330.476 1.166 40 0 EDABMP C[NH+]1CCN(C[C@@H]2OC[C@H]3C[N@@H+](Cc4ccncc4)CC[C@H]32)CC1 ZINC000096185270 442060236 /nfs/dbraw/zinc/06/02/36/442060236.db2.gz QZKIYFFBWBPVGJ-QRVBRYPASA-N 2 1 330.476 1.166 40 0 EDABMP COC[C@H]1CC2(C[N@H+]1CC(=O)N(C)C)CC[NH+](CC1CCC1)CC2 ZINC000096217706 442088139 /nfs/dbraw/zinc/08/81/39/442088139.db2.gz JQSDBKSYBFQJMU-QGZVFWFLSA-N 2 1 337.508 1.678 40 0 EDABMP C[NH+](C)Cc1cnc(CC2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)cn1 ZINC000257321894 443146613 /nfs/dbraw/zinc/14/66/13/443146613.db2.gz WDSQOUYHJFPQIE-GOSISDBHSA-N 2 1 345.491 1.414 40 0 EDABMP Cc1ccc(C[N@@H+]2CC[C@H]3CO[C@H](CN4CC[NH+](C)CC4)[C@H]3C2)o1 ZINC000096056258 442002706 /nfs/dbraw/zinc/00/27/06/442002706.db2.gz FYGFYXFWWMEPIK-YTQUADARSA-N 2 1 333.476 1.672 40 0 EDABMP Cc1ccc(C[N@H+]2CC[C@H]3CO[C@H](C[NH+]4CCN(C)CC4)[C@H]3C2)o1 ZINC000096056258 442002709 /nfs/dbraw/zinc/00/27/09/442002709.db2.gz FYGFYXFWWMEPIK-YTQUADARSA-N 2 1 333.476 1.672 40 0 EDABMP Cc1ccc(C[N@@H+]2CC[C@H]3CO[C@H](C[NH+]4CCN(C)CC4)[C@H]3C2)o1 ZINC000096056258 442002715 /nfs/dbraw/zinc/00/27/15/442002715.db2.gz FYGFYXFWWMEPIK-YTQUADARSA-N 2 1 333.476 1.672 40 0 EDABMP CCOC(=O)[C@@]12CN(CC[NH+](C)C)C[C@@H]1C[N@@H+](CC1CC1)CCC2 ZINC000096055948 442003464 /nfs/dbraw/zinc/00/34/64/442003464.db2.gz VXJOKBNVMNBFDA-HKUYNNGSSA-N 2 1 337.508 1.535 40 0 EDABMP CC[NH+]1CCN(C(=O)c2nccnc2C[C@H]2CCC[N@H+](C)C2)CC1 ZINC000257331927 443151381 /nfs/dbraw/zinc/15/13/81/443151381.db2.gz XUXKXIVHNRBHDL-OAHLLOKOSA-N 2 1 331.464 1.139 40 0 EDABMP CC[NH+]1CCN(C(=O)c2nccnc2C[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000257331927 443151385 /nfs/dbraw/zinc/15/13/85/443151385.db2.gz XUXKXIVHNRBHDL-OAHLLOKOSA-N 2 1 331.464 1.139 40 0 EDABMP c1ccc(C[N@H+]2CCOC[C@]3(C[C@H](C[NH+]4CCCC4)CO3)C2)nc1 ZINC000096052025 441999696 /nfs/dbraw/zinc/99/96/96/441999696.db2.gz KWMKAVWLAFKRHZ-MJGOQNOKSA-N 2 1 331.460 1.785 40 0 EDABMP c1ccc(C[N@@H+]2CCOC[C@]3(C[C@H](C[NH+]4CCCC4)CO3)C2)nc1 ZINC000096052025 441999699 /nfs/dbraw/zinc/99/96/99/441999699.db2.gz KWMKAVWLAFKRHZ-MJGOQNOKSA-N 2 1 331.460 1.785 40 0 EDABMP c1cc(C[N@H+]2CCOC[C@@]3(C[C@H](C[NH+]4CCCC4)CO3)C2)ccn1 ZINC000096052030 442000193 /nfs/dbraw/zinc/00/01/93/442000193.db2.gz MDFLFNLRLXNNOU-RTBURBONSA-N 2 1 331.460 1.785 40 0 EDABMP c1cc(C[N@@H+]2CCOC[C@@]3(C[C@H](C[NH+]4CCCC4)CO3)C2)ccn1 ZINC000096052030 442000199 /nfs/dbraw/zinc/00/01/99/442000199.db2.gz MDFLFNLRLXNNOU-RTBURBONSA-N 2 1 331.460 1.785 40 0 EDABMP C[N@@H+](Cc1ccc(F)cc1)[C@@H]1CN(C(=O)C2([NH3+])CCCC2)C[C@H]1O ZINC000257303191 443138979 /nfs/dbraw/zinc/13/89/79/443138979.db2.gz SGDZFXNVFKSTEV-HZPDHXFCSA-N 2 1 335.423 1.101 40 0 EDABMP C[NH+](C)CCOCc1nnc2n1CC[N@H+](Cc1ccc(F)cc1)CC2 ZINC000096058868 442006328 /nfs/dbraw/zinc/00/63/28/442006328.db2.gz ZOENBFHCWRPTLV-UHFFFAOYSA-N 2 1 347.438 1.554 40 0 EDABMP CC[N@H+]1CCC[C@@H]1CNC(=O)c1cc(C)nc(C2CC[NH+](C)CC2)n1 ZINC000072369312 216176013 /nfs/dbraw/zinc/17/60/13/216176013.db2.gz WUCXPCKDQGLVOS-MRXNPFEDSA-N 2 1 345.491 1.808 40 0 EDABMP CC(C)[NH+]1CCN(C(=O)c2cnc(C[C@H]3CCC[N@H+](C)C3)cn2)CC1 ZINC000072369347 216176438 /nfs/dbraw/zinc/17/64/38/216176438.db2.gz UFLCHOCDHLJJMP-MRXNPFEDSA-N 2 1 345.491 1.527 40 0 EDABMP CC(C)[NH+]1CCN(C(=O)c2cnc(C[C@H]3CCC[N@@H+](C)C3)cn2)CC1 ZINC000072369347 216176441 /nfs/dbraw/zinc/17/64/41/216176441.db2.gz UFLCHOCDHLJJMP-MRXNPFEDSA-N 2 1 345.491 1.527 40 0 EDABMP C[C@H]1C[N@H+](Cc2cccnc2)C[C@@]12COCC[NH+](C[C@H]1CCOC1)C2 ZINC000107221034 441404687 /nfs/dbraw/zinc/40/46/87/441404687.db2.gz PSKWXYMWDPHRRH-SXLOBPIMSA-N 2 1 345.487 1.888 40 0 EDABMP C[C@H]1C[N@@H+](Cc2cccnc2)C[C@@]12COCC[NH+](C[C@H]1CCOC1)C2 ZINC000107221034 441404688 /nfs/dbraw/zinc/40/46/88/441404688.db2.gz PSKWXYMWDPHRRH-SXLOBPIMSA-N 2 1 345.487 1.888 40 0 EDABMP C[C@H]1C[NH+](Cc2cccnc2)C[C@@]12COCC[N@H+](C[C@H]1CCOC1)C2 ZINC000107221034 441404690 /nfs/dbraw/zinc/40/46/90/441404690.db2.gz PSKWXYMWDPHRRH-SXLOBPIMSA-N 2 1 345.487 1.888 40 0 EDABMP C[C@H]1C[NH+](Cc2cccnc2)C[C@@]12COCC[N@@H+](C[C@H]1CCOC1)C2 ZINC000107221034 441404691 /nfs/dbraw/zinc/40/46/91/441404691.db2.gz PSKWXYMWDPHRRH-SXLOBPIMSA-N 2 1 345.487 1.888 40 0 EDABMP C[NH+]1CCN(C[C@H]2OC[C@@H]3CC[N@@H+](Cc4ccsc4)C[C@@H]32)CC1 ZINC000096083120 442024523 /nfs/dbraw/zinc/02/45/23/442024523.db2.gz AVSNQVQMNKPKGC-OKZBNKHCSA-N 2 1 335.517 1.832 40 0 EDABMP CN1CC[NH+](C[C@H]2OC[C@@H]3CC[N@H+](Cc4ccsc4)C[C@@H]32)CC1 ZINC000096083120 442024526 /nfs/dbraw/zinc/02/45/26/442024526.db2.gz AVSNQVQMNKPKGC-OKZBNKHCSA-N 2 1 335.517 1.832 40 0 EDABMP CN1CC[NH+](C[C@H]2OC[C@@H]3CC[N@@H+](Cc4ccsc4)C[C@@H]32)CC1 ZINC000096083120 442024532 /nfs/dbraw/zinc/02/45/32/442024532.db2.gz AVSNQVQMNKPKGC-OKZBNKHCSA-N 2 1 335.517 1.832 40 0 EDABMP Cc1ccc(C[N@H+]2CC[C@@H]3O[C@@H](C(=O)NCC[NH+]4CCCC4)C[C@@H]32)o1 ZINC000096183693 442058400 /nfs/dbraw/zinc/05/84/00/442058400.db2.gz UATUKDMVWPAUQS-OKZBNKHCSA-N 2 1 347.459 1.532 40 0 EDABMP C[C@H]1C[N@H+](Cc2cccnc2)C[C@@]12COCC[NH+](C[C@@H]1CCOC1)C2 ZINC000096202389 442078768 /nfs/dbraw/zinc/07/87/68/442078768.db2.gz PSKWXYMWDPHRRH-IHPCNDPISA-N 2 1 345.487 1.888 40 0 EDABMP C[C@H]1C[N@@H+](Cc2cccnc2)C[C@@]12COCC[NH+](C[C@@H]1CCOC1)C2 ZINC000096202389 442078774 /nfs/dbraw/zinc/07/87/74/442078774.db2.gz PSKWXYMWDPHRRH-IHPCNDPISA-N 2 1 345.487 1.888 40 0 EDABMP C[C@H]1C[NH+](Cc2cccnc2)C[C@@]12COCC[N@H+](C[C@@H]1CCOC1)C2 ZINC000096202389 442078776 /nfs/dbraw/zinc/07/87/76/442078776.db2.gz PSKWXYMWDPHRRH-IHPCNDPISA-N 2 1 345.487 1.888 40 0 EDABMP C[C@H]1C[NH+](Cc2cccnc2)C[C@@]12COCC[N@@H+](C[C@@H]1CCOC1)C2 ZINC000096202389 442078781 /nfs/dbraw/zinc/07/87/81/442078781.db2.gz PSKWXYMWDPHRRH-IHPCNDPISA-N 2 1 345.487 1.888 40 0 EDABMP CC(=O)N1[C@H](C[NH+]2CCCC2)C[C@@H]2C[N@@H+](Cc3ccncc3)CC[C@@H]21 ZINC000096185601 278075649 /nfs/dbraw/zinc/07/56/49/278075649.db2.gz VGTRHISWODUGQX-AABGKKOBSA-N 2 1 342.487 1.989 40 0 EDABMP C[NH+](C)Cc1cn(-c2ccccc2C(=O)N[C@@H]2CCC[N@H+](C)C2)cn1 ZINC000257295325 443135982 /nfs/dbraw/zinc/13/59/82/443135982.db2.gz QXWPQWPKYSZVQL-OAHLLOKOSA-N 2 1 341.459 1.758 40 0 EDABMP C[NH+](C)Cc1cn(-c2ccccc2C(=O)N[C@@H]2CCC[N@@H+](C)C2)cn1 ZINC000257295325 443135987 /nfs/dbraw/zinc/13/59/87/443135987.db2.gz QXWPQWPKYSZVQL-OAHLLOKOSA-N 2 1 341.459 1.758 40 0 EDABMP Cc1cccc(C[N@H+]2Cc3ccnn3C[C@H](COCC[NH+](C)C)C2)n1 ZINC000096188972 281217978 /nfs/dbraw/zinc/21/79/78/281217978.db2.gz GRYTXTMKFQYFOI-QGZVFWFLSA-N 2 1 343.475 1.797 40 0 EDABMP Cc1cccc(C[N@@H+]2Cc3ccnn3C[C@H](COCC[NH+](C)C)C2)n1 ZINC000096188972 281217979 /nfs/dbraw/zinc/21/79/79/281217979.db2.gz GRYTXTMKFQYFOI-QGZVFWFLSA-N 2 1 343.475 1.797 40 0 EDABMP C[NH+]1CCC(COC[C@H]2CC[C@H]3[C@H](CC[N@H+]3[C@@H]3CCOC3)O2)CC1 ZINC000096064790 442012347 /nfs/dbraw/zinc/01/23/47/442012347.db2.gz JBNLUMBLMXQMSH-YRXWBPOGSA-N 2 1 338.492 1.756 40 0 EDABMP COc1ccc(C[N@@H+]2C[C@@H]3COC[C@@H](N4CC[NH+](C)CC4)[C@@H]3C2)cc1 ZINC000096186828 442062749 /nfs/dbraw/zinc/06/27/49/442062749.db2.gz SXFVPSZSJNNESO-MISYRCLQSA-N 2 1 345.487 1.389 40 0 EDABMP COc1ccc(C[N@H+]2C[C@@H]3COC[C@@H](N4CC[NH+](C)CC4)[C@@H]3C2)cc1 ZINC000096186828 442062750 /nfs/dbraw/zinc/06/27/50/442062750.db2.gz SXFVPSZSJNNESO-MISYRCLQSA-N 2 1 345.487 1.389 40 0 EDABMP Cc1ccc(C[NH+]2CCC(C[N@H+](C)[C@@H]3COC[C@@H](O)[C@H]3O)CC2)cc1 ZINC000585290336 448735296 /nfs/dbraw/zinc/73/52/96/448735296.db2.gz BRCSIMBGETTXIE-AQNXPRMDSA-N 2 1 348.487 1.259 40 0 EDABMP COC(C)(C)C(=O)N1CCN(c2cc(C)[nH+]c([C@H]3CCC[NH2+]3)c2)CC1 ZINC000019697979 441258865 /nfs/dbraw/zinc/25/88/65/441258865.db2.gz NUIZTPUZXIGOGY-MRXNPFEDSA-N 2 1 346.475 1.888 40 0 EDABMP C[NH+]1CCN(C[C@H]2OC[C@@H]3CC[N@@H+](Cc4cccs4)C[C@@H]32)CC1 ZINC000096056256 442003814 /nfs/dbraw/zinc/00/38/14/442003814.db2.gz IUFHYGGIFITGMS-RYQLBKOJSA-N 2 1 335.517 1.832 40 0 EDABMP CN1CC[NH+](C[C@H]2OC[C@@H]3CC[N@H+](Cc4cccs4)C[C@@H]32)CC1 ZINC000096056256 442003817 /nfs/dbraw/zinc/00/38/17/442003817.db2.gz IUFHYGGIFITGMS-RYQLBKOJSA-N 2 1 335.517 1.832 40 0 EDABMP CN1CC[NH+](C[C@H]2OC[C@@H]3CC[N@@H+](Cc4cccs4)C[C@@H]32)CC1 ZINC000096056256 442003819 /nfs/dbraw/zinc/00/38/19/442003819.db2.gz IUFHYGGIFITGMS-RYQLBKOJSA-N 2 1 335.517 1.832 40 0 EDABMP C[NH+]1CCN(C(=O)C[C@H]2CC3(CC[NH2+]CC3)c3ccccc32)CC1 ZINC000306124915 444285342 /nfs/dbraw/zinc/28/53/42/444285342.db2.gz CCAZXZBTUBLAKL-INIZCTEOSA-N 2 1 327.472 1.959 40 0 EDABMP Cn1cc(C[N@@H+]2CCc3ncc(C[NH+]4CCCCC4)n3CC2)cn1 ZINC000096196881 442070618 /nfs/dbraw/zinc/07/06/18/442070618.db2.gz YEQDFOQPTNKBTB-UHFFFAOYSA-N 2 1 328.464 1.661 40 0 EDABMP C[NH+]1CCN(c2ncc(-c3ccncc3)c([C@@H]3CCC[NH2+]C3)n2)CC1 ZINC000257332339 443151121 /nfs/dbraw/zinc/15/11/21/443151121.db2.gz XWVXRRUWDHAXKF-MRXNPFEDSA-N 2 1 338.459 1.757 40 0 EDABMP CC[N@@H+](Cc1ccncc1)C[C@]1(O)CCCN(C(=O)C(C)(C)[NH3+])CC1 ZINC000257245483 244254660 /nfs/dbraw/zinc/25/46/60/244254660.db2.gz IPRUMDUEFTZBRH-IBGZPJMESA-N 2 1 348.491 1.384 40 0 EDABMP COCC[N@H+]1Cc2ccccc2C2(CC[NH+](CC(=O)N(C)C)CC2)C1 ZINC000096079596 277227857 /nfs/dbraw/zinc/22/78/57/277227857.db2.gz LGDZCEXADHQZHU-UHFFFAOYSA-N 2 1 345.487 1.570 40 0 EDABMP Cc1ccc(C[N@@H+]2CCc3ncnc(N4CC[NH+](C)CC4)c3CC2)o1 ZINC000096255673 442105840 /nfs/dbraw/zinc/10/58/40/442105840.db2.gz XQUYHTZQDXJVHE-UHFFFAOYSA-N 2 1 341.459 1.731 40 0 EDABMP Cc1ccc(C[N@H+]2CCc3ncnc(N4CC[NH+](C)CC4)c3CC2)o1 ZINC000096255673 442105843 /nfs/dbraw/zinc/10/58/43/442105843.db2.gz XQUYHTZQDXJVHE-UHFFFAOYSA-N 2 1 341.459 1.731 40 0 EDABMP c1ccc(C[N@@H+]2C[C@H]3CC[C@@H]([NH2+]CCN4CCOCC4)[C@@H]3C2)cc1 ZINC000195577907 241025762 /nfs/dbraw/zinc/02/57/62/241025762.db2.gz XLPNKMBUYSNUTG-VAMGGRTRSA-N 2 1 329.488 1.819 40 0 EDABMP O=C([C@@H]1CSC[NH2+]1)N1CC2(CC[NH2+]CC2)c2cc(Cl)ccc21 ZINC000096156949 442048102 /nfs/dbraw/zinc/04/81/02/442048102.db2.gz UQPXWBDXIVDGDC-ZDUSSCGKSA-N 2 1 337.876 1.970 40 0 EDABMP C[NH+](C)CC(=O)N1C[C@H]2[C@@H](C1)CCC[C@@H]2[N@@H+](C)Cc1cccnc1 ZINC000096182937 442056572 /nfs/dbraw/zinc/05/65/72/442056572.db2.gz OLFVTUQRFDMCJT-SQNIBIBYSA-N 2 1 330.476 1.702 40 0 EDABMP C[NH+](C)C1CCN(C(=O)[C@H]2C[C@H]3[C@H](CC[N@H+]3Cc3ccoc3)O2)CC1 ZINC000096183703 442057588 /nfs/dbraw/zinc/05/75/88/442057588.db2.gz YIDAMABCTKTUBJ-OKZBNKHCSA-N 2 1 347.459 1.564 40 0 EDABMP COc1ccc(CN2CC[N@H+]3C[C@H](OCC[NH+](C)C)C[C@H]3C2)cc1 ZINC000107197632 441402723 /nfs/dbraw/zinc/40/27/23/441402723.db2.gz QCWCFTFPJQUDMU-PKOBYXMFSA-N 2 1 333.476 1.532 40 0 EDABMP CC(C)[N@H+]1[C@H](Cn2cncn2)C[C@@H]2C[NH+](C[C@H]3CCOC3)CC[C@@H]21 ZINC000107203348 441404068 /nfs/dbraw/zinc/40/40/68/441404068.db2.gz AWXUIIIUBATQGI-BDXSIMOUSA-N 2 1 333.480 1.488 40 0 EDABMP CC(C)[NH+]1[C@H](Cn2cncn2)C[C@@H]2C[N@H+](C[C@H]3CCOC3)CC[C@@H]21 ZINC000107203348 441404072 /nfs/dbraw/zinc/40/40/72/441404072.db2.gz AWXUIIIUBATQGI-BDXSIMOUSA-N 2 1 333.480 1.488 40 0 EDABMP CC(C)[NH+]1[C@H](Cn2cncn2)C[C@@H]2C[N@@H+](C[C@H]3CCOC3)CC[C@@H]21 ZINC000107203348 441404075 /nfs/dbraw/zinc/40/40/75/441404075.db2.gz AWXUIIIUBATQGI-BDXSIMOUSA-N 2 1 333.480 1.488 40 0 EDABMP C[NH+](C)CC(=O)N1C[C@H]2[C@@H](C1)CCC[C@H]2[N@@H+](C)Cc1ccccn1 ZINC000096183074 442056035 /nfs/dbraw/zinc/05/60/35/442056035.db2.gz NPHDCNGQYQHHCM-BPQIPLTHSA-N 2 1 330.476 1.702 40 0 EDABMP c1cncc(C[N@H+]2CCOC[C@]3(CC[C@@H](C[NH+]4CCCC4)O3)C2)c1 ZINC000253595551 244028254 /nfs/dbraw/zinc/02/82/54/244028254.db2.gz FZTUUTIRZIHIFQ-OALUTQOASA-N 2 1 331.460 1.927 40 0 EDABMP c1cncc(C[N@@H+]2CCOC[C@]3(CC[C@@H](C[NH+]4CCCC4)O3)C2)c1 ZINC000253595551 244028259 /nfs/dbraw/zinc/02/82/59/244028259.db2.gz FZTUUTIRZIHIFQ-OALUTQOASA-N 2 1 331.460 1.927 40 0 EDABMP c1cncc(C[N@H+]2CCOC[C@@]3(CC[C@@H](C[NH+]4CCCC4)O3)C2)c1 ZINC000253595552 244028838 /nfs/dbraw/zinc/02/88/38/244028838.db2.gz FZTUUTIRZIHIFQ-RBUKOAKNSA-N 2 1 331.460 1.927 40 0 EDABMP c1cncc(C[N@@H+]2CCOC[C@@]3(CC[C@@H](C[NH+]4CCCC4)O3)C2)c1 ZINC000253595552 244028844 /nfs/dbraw/zinc/02/88/44/244028844.db2.gz FZTUUTIRZIHIFQ-RBUKOAKNSA-N 2 1 331.460 1.927 40 0 EDABMP c1ncc2c(c1COCC[NH+]1CCCC1)CC[N@@H+]([C@@H]1CCOC1)C2 ZINC000096067364 442016128 /nfs/dbraw/zinc/01/61/28/442016128.db2.gz XRQPFDRAMBNFNF-GOSISDBHSA-N 2 1 331.460 1.841 40 0 EDABMP c1ncc2c(c1COCC[NH+]1CCCC1)CC[N@H+]([C@@H]1CCOC1)C2 ZINC000096067364 442016135 /nfs/dbraw/zinc/01/61/35/442016135.db2.gz XRQPFDRAMBNFNF-GOSISDBHSA-N 2 1 331.460 1.841 40 0 EDABMP C[NH+]1CCN(C[C@H]2OC[C@@H]3CC[N@@H+](Cc4ccc(F)cc4)C[C@@H]32)CC1 ZINC000096185435 442059173 /nfs/dbraw/zinc/05/91/73/442059173.db2.gz IMBCDLIQBDFBAY-YSIASYRMSA-N 2 1 347.478 1.910 40 0 EDABMP CN1CC[NH+](C[C@H]2OC[C@@H]3CC[N@H+](Cc4ccc(F)cc4)C[C@@H]32)CC1 ZINC000096185435 442059174 /nfs/dbraw/zinc/05/91/74/442059174.db2.gz IMBCDLIQBDFBAY-YSIASYRMSA-N 2 1 347.478 1.910 40 0 EDABMP CN1CC[NH+](C[C@H]2OC[C@@H]3CC[N@@H+](Cc4ccc(F)cc4)C[C@@H]32)CC1 ZINC000096185435 442059177 /nfs/dbraw/zinc/05/91/77/442059177.db2.gz IMBCDLIQBDFBAY-YSIASYRMSA-N 2 1 347.478 1.910 40 0 EDABMP CCn1cc(C[N@@H+]2CCc3nc(C4CC[NH2+]CC4)[nH]c(=O)c3C2)cn1 ZINC000257296935 443135582 /nfs/dbraw/zinc/13/55/82/443135582.db2.gz RFBYEVCLFVOLQI-UHFFFAOYSA-N 2 1 342.447 1.424 40 0 EDABMP CCn1cc(C[N@H+]2CCc3nc(C4CC[NH2+]CC4)[nH]c(=O)c3C2)cn1 ZINC000257296935 443135586 /nfs/dbraw/zinc/13/55/86/443135586.db2.gz RFBYEVCLFVOLQI-UHFFFAOYSA-N 2 1 342.447 1.424 40 0 EDABMP CC[NH+]1CCN(C(=O)c2cncc(C[C@H]3CCC[N@H+](C)C3)c2)CC1 ZINC000257308816 443141555 /nfs/dbraw/zinc/14/15/55/443141555.db2.gz TYFJTNFERYQPLP-MRXNPFEDSA-N 2 1 330.476 1.744 40 0 EDABMP CC[NH+]1CCN(C(=O)c2cncc(C[C@H]3CCC[N@@H+](C)C3)c2)CC1 ZINC000257308816 443141558 /nfs/dbraw/zinc/14/15/58/443141558.db2.gz TYFJTNFERYQPLP-MRXNPFEDSA-N 2 1 330.476 1.744 40 0 EDABMP C[NH+]1CCN(c2ncnc3c2CC[N@H+](Cc2ccccc2)CC3)CC1 ZINC000096255677 277115313 /nfs/dbraw/zinc/11/53/13/277115313.db2.gz FZGMGUBQIPHQKI-UHFFFAOYSA-N 2 1 337.471 1.829 40 0 EDABMP C[NH+]1CCN(c2ncnc3c2CC[N@@H+](Cc2ccccc2)CC3)CC1 ZINC000096255677 277115315 /nfs/dbraw/zinc/11/53/15/277115315.db2.gz FZGMGUBQIPHQKI-UHFFFAOYSA-N 2 1 337.471 1.829 40 0 EDABMP Cn1ccnc1C[N@@H+]1CCC[C@@]2(CCN(CC[NH+]3CCCC3)C2=O)C1 ZINC000096224250 442092435 /nfs/dbraw/zinc/09/24/35/442092435.db2.gz ATDMDDOPHKPLTQ-LJQANCHMSA-N 2 1 345.491 1.330 40 0 EDABMP Cn1ccnc1C[N@H+]1CCC[C@@]2(CCN(CC[NH+]3CCCC3)C2=O)C1 ZINC000096224250 442092440 /nfs/dbraw/zinc/09/24/40/442092440.db2.gz ATDMDDOPHKPLTQ-LJQANCHMSA-N 2 1 345.491 1.330 40 0 EDABMP Cn1cncc1C[N@H+]1CC[C@H]2OCCN(CC[NH+]3CCCC3)[C@@H]2CC1 ZINC000096249352 442103453 /nfs/dbraw/zinc/10/34/53/442103453.db2.gz HARWFUYIDBABLF-RTBURBONSA-N 2 1 347.507 1.181 40 0 EDABMP Cc1ccc(C[NH+]2CC[C@@H]3C[N@H+](CC(=O)N(C)C)CCO[C@@H]3C2)cc1 ZINC000096249651 442102966 /nfs/dbraw/zinc/10/29/66/442102966.db2.gz HJMIWAGGQAGHNJ-RTBURBONSA-N 2 1 345.487 1.606 40 0 EDABMP Cc1ccc(C[NH+]2CC[C@@H]3C[N@@H+](CC(=O)N(C)C)CCO[C@@H]3C2)cc1 ZINC000096249651 442102973 /nfs/dbraw/zinc/10/29/73/442102973.db2.gz HJMIWAGGQAGHNJ-RTBURBONSA-N 2 1 345.487 1.606 40 0 EDABMP Cc1ccc(C[N@@H+]2CC[C@@H]3C[NH+](CC(=O)N(C)C)CCO[C@@H]3C2)cc1 ZINC000096249651 442102976 /nfs/dbraw/zinc/10/29/76/442102976.db2.gz HJMIWAGGQAGHNJ-RTBURBONSA-N 2 1 345.487 1.606 40 0 EDABMP Cc1ccc(C[N@H+]2CC[C@@H]3C[NH+](CC(=O)N(C)C)CCO[C@@H]3C2)cc1 ZINC000096249651 442102980 /nfs/dbraw/zinc/10/29/80/442102980.db2.gz HJMIWAGGQAGHNJ-RTBURBONSA-N 2 1 345.487 1.606 40 0 EDABMP COCC[N@H+]1C[C@H](COC)C2(C1)CC[NH+](Cc1ccccn1)CC2 ZINC000247829397 442869632 /nfs/dbraw/zinc/86/96/32/442869632.db2.gz HCNWYXGZFGUJML-QGZVFWFLSA-N 2 1 333.476 1.888 40 0 EDABMP c1ccc(C[N@@H+]2CCC[C@]3(C[C@@H](C[NH+]4CCOCC4)CO3)C2)nc1 ZINC000107790462 441430689 /nfs/dbraw/zinc/43/06/89/441430689.db2.gz BPLOUSSOLLXXLJ-HKUYNNGSSA-N 2 1 331.460 1.785 40 0 EDABMP Cn1cncc1C[N@@H+]1CC[C@@H]2[C@H](CC1)OCCN2CC[NH+]1CCCC1 ZINC000306128451 444285566 /nfs/dbraw/zinc/28/55/66/444285566.db2.gz HARWFUYIDBABLF-MOPGFXCFSA-N 2 1 347.507 1.181 40 0 EDABMP Cc1ccc(C[N@H+]2CCc3ccc(=O)n(CC[NH+](C)C)c3CC2)o1 ZINC000096196646 442069029 /nfs/dbraw/zinc/06/90/29/442069029.db2.gz FPZUJWDALIUQTD-UHFFFAOYSA-N 2 1 329.444 1.912 40 0 EDABMP C[NH+]1CCN(C(=O)C[C@@H]2C[C@H]3C[N@H+](Cc4ccsc4)C[C@H]3O2)CC1 ZINC000096208177 442083085 /nfs/dbraw/zinc/08/30/85/442083085.db2.gz MBAYCLYXSCFFTD-YESZJQIVSA-N 2 1 349.500 1.502 40 0 EDABMP C[NH+]1CCN(C(=O)C[C@@H]2C[C@H]3C[N@@H+](Cc4ccsc4)C[C@H]3O2)CC1 ZINC000096208177 442083087 /nfs/dbraw/zinc/08/30/87/442083087.db2.gz MBAYCLYXSCFFTD-YESZJQIVSA-N 2 1 349.500 1.502 40 0 EDABMP CC(C)c1[nH+]ccn1CCC(=O)N(C)[C@@H]1CC[C@@H]([NH+]2CCCC2)[C@@H]1O ZINC000257295448 443135825 /nfs/dbraw/zinc/13/58/25/443135825.db2.gz QYHZFJPOQGLYBL-JFIYKMOQSA-N 2 1 348.491 1.843 40 0 EDABMP Cn1ccnc1-c1nccnc1C[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000257224782 244199797 /nfs/dbraw/zinc/19/97/97/244199797.db2.gz FDIFZWSSCKWEGV-OAHLLOKOSA-N 2 1 340.475 1.836 40 0 EDABMP Cn1ccnc1-c1nccnc1C[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000257224782 244199804 /nfs/dbraw/zinc/19/98/04/244199804.db2.gz FDIFZWSSCKWEGV-OAHLLOKOSA-N 2 1 340.475 1.836 40 0 EDABMP Cn1ccnc1C[N@@H+]1CCC[C@]2(CCN(CC[NH+]3CCCC3)C2=O)C1 ZINC000096224248 442092913 /nfs/dbraw/zinc/09/29/13/442092913.db2.gz ATDMDDOPHKPLTQ-IBGZPJMESA-N 2 1 345.491 1.330 40 0 EDABMP Cn1ccnc1C[N@H+]1CCC[C@]2(CCN(CC[NH+]3CCCC3)C2=O)C1 ZINC000096224248 442092918 /nfs/dbraw/zinc/09/29/18/442092918.db2.gz ATDMDDOPHKPLTQ-IBGZPJMESA-N 2 1 345.491 1.330 40 0 EDABMP C[N@H+](CCC[NH+](CCO)CCO)C1CC(C)(C)N(O)C(C)(C)C1 ZINC000001592895 440847607 /nfs/dbraw/zinc/84/76/07/440847607.db2.gz YHARYCPOYAZXML-UHFFFAOYSA-N 2 1 331.501 1.006 40 0 EDABMP C[N@@H+](CCC[NH+](CCO)CCO)C1CC(C)(C)N(O)C(C)(C)C1 ZINC000001592895 440847614 /nfs/dbraw/zinc/84/76/14/440847614.db2.gz YHARYCPOYAZXML-UHFFFAOYSA-N 2 1 331.501 1.006 40 0 EDABMP c1ccc(C[N@H+]2CCOC[C@@]3(C[C@H](C[NH+]4CCCC4)CO3)C2)nc1 ZINC000096052026 442000033 /nfs/dbraw/zinc/00/00/33/442000033.db2.gz KWMKAVWLAFKRHZ-IEBWSBKVSA-N 2 1 331.460 1.785 40 0 EDABMP c1ccc(C[N@@H+]2CCOC[C@@]3(C[C@H](C[NH+]4CCCC4)CO3)C2)nc1 ZINC000096052026 442000036 /nfs/dbraw/zinc/00/00/36/442000036.db2.gz KWMKAVWLAFKRHZ-IEBWSBKVSA-N 2 1 331.460 1.785 40 0 EDABMP C[NH+](C)C1CCN(C(=O)c2n[nH]c3c2CC[N@H+](CC2CCC2)C3)CC1 ZINC000096066668 442014138 /nfs/dbraw/zinc/01/41/38/442014138.db2.gz ODXRYPVBHLJJJT-UHFFFAOYSA-N 2 1 345.491 1.734 40 0 EDABMP C[NH+](C)C1CCN(C(=O)c2n[nH]c3c2CC[N@@H+](CC2CCC2)C3)CC1 ZINC000096066668 442014141 /nfs/dbraw/zinc/01/41/41/442014141.db2.gz ODXRYPVBHLJJJT-UHFFFAOYSA-N 2 1 345.491 1.734 40 0 EDABMP C[NH+]1CCN(Cc2cnc3n2CC[N@H+](Cc2cccnc2)CC3)CC1 ZINC000096196926 442070460 /nfs/dbraw/zinc/07/04/60/442070460.db2.gz YRNIBOIUBANRLO-UHFFFAOYSA-N 2 1 340.475 1.084 40 0 EDABMP c1cncc(C[N@H+]2CCOC[C@@]3(C[C@H](C[NH+]4CCCC4)CO3)C2)c1 ZINC000096052028 442000073 /nfs/dbraw/zinc/00/00/73/442000073.db2.gz QGXSIALJKWBLOP-RTBURBONSA-N 2 1 331.460 1.785 40 0 EDABMP c1cncc(C[N@@H+]2CCOC[C@@]3(C[C@H](C[NH+]4CCCC4)CO3)C2)c1 ZINC000096052028 442000076 /nfs/dbraw/zinc/00/00/76/442000076.db2.gz QGXSIALJKWBLOP-RTBURBONSA-N 2 1 331.460 1.785 40 0 EDABMP C[NH+](C)CCO[C@@H]1C[C@H]2CN(C(=O)Cc3cccc(F)c3)CC[N@H+]2C1 ZINC000096183178 442056348 /nfs/dbraw/zinc/05/63/48/442056348.db2.gz PKVPTGDHSMOACR-ZWKOTPCHSA-N 2 1 349.450 1.232 40 0 EDABMP Cc1ccc(C[N@H+]2Cc3ccnn3C[C@@H](C(=O)NCC[NH+](C)C)C2)o1 ZINC000096188837 442067313 /nfs/dbraw/zinc/06/73/13/442067313.db2.gz WENSYPLULXFFQP-HNNXBMFYSA-N 2 1 345.447 1.094 40 0 EDABMP Cc1ccc(C[N@@H+]2Cc3ccnn3C[C@@H](C(=O)NCC[NH+](C)C)C2)o1 ZINC000096188837 442067315 /nfs/dbraw/zinc/06/73/15/442067315.db2.gz WENSYPLULXFFQP-HNNXBMFYSA-N 2 1 345.447 1.094 40 0 EDABMP C[NH+]1CCN(C[C@H]2CCC[C@]3(CC[N@@H+](Cc4ccncc4)C3)O2)CC1 ZINC000096207005 442080656 /nfs/dbraw/zinc/08/06/56/442080656.db2.gz CPRWCSOGWNJJGP-WOJBJXKFSA-N 2 1 344.503 1.843 40 0 EDABMP Cc1c[nH]c([C@@H]2COCCN2C(=O)CCN(C)Cc2ccccn2)n1 ZINC000257200352 443124564 /nfs/dbraw/zinc/12/45/64/443124564.db2.gz ACYFDEAVOAKEKK-INIZCTEOSA-N 2 1 343.431 1.535 40 0 EDABMP Cn1nc(C2CCN(C(=O)[C@H]3CCC[NH2+]C3)CC2)cc1C[NH+](C)C ZINC000019710237 202017464 /nfs/dbraw/zinc/01/74/64/202017464.db2.gz DMTOBOIEVOUGQC-HNNXBMFYSA-N 2 1 333.480 1.187 40 0 EDABMP C[NH+]1CCN(c2ncnc3c2CC[N@H+](Cc2ccccn2)CC3)CC1 ZINC000096255679 277115365 /nfs/dbraw/zinc/11/53/65/277115365.db2.gz JKWGVLQVECAMRA-UHFFFAOYSA-N 2 1 338.459 1.224 40 0 EDABMP C[NH+]1CCN(c2ncnc3c2CC[N@@H+](Cc2ccccn2)CC3)CC1 ZINC000096255679 277115366 /nfs/dbraw/zinc/11/53/66/277115366.db2.gz JKWGVLQVECAMRA-UHFFFAOYSA-N 2 1 338.459 1.224 40 0 EDABMP COCC[N@H+]1CC2(C[C@H]1COC)CC[NH+](Cc1cnn(C)c1)CC2 ZINC000096207630 442081300 /nfs/dbraw/zinc/08/13/00/442081300.db2.gz CKZORGUSLXWFNI-KRWDZBQOSA-N 2 1 336.480 1.369 40 0 EDABMP C[N@H+]1CCC[C@H](CNC(=O)c2ccccc2-n2cc(C[NH3+])cn2)C1 ZINC000257214892 536387063 /nfs/dbraw/zinc/38/70/63/536387063.db2.gz CNWRHTHKALIHRI-CQSZACIVSA-N 2 1 327.432 1.403 40 0 EDABMP C[NH+](C)C1(CNC(=O)C[N@H+]2CCC[C@@H]2Cn2cccn2)CCCCC1 ZINC000019659239 202015298 /nfs/dbraw/zinc/01/52/98/202015298.db2.gz DWNZJOLQYZIZRC-QGZVFWFLSA-N 2 1 347.507 1.728 40 0 EDABMP CC[N@H+]1CCC[C@H]1CNC(=O)c1cc(C)nc(C2CC[NH+](C)CC2)n1 ZINC000072369313 203209173 /nfs/dbraw/zinc/20/91/73/203209173.db2.gz WUCXPCKDQGLVOS-INIZCTEOSA-N 2 1 345.491 1.808 40 0 EDABMP C[NH+](C)C[C@@H]1C[C@@H]2C[N@H+]([C@@H]3CCOC3)CC[C@@H]2N1c1nccs1 ZINC000247964825 442875427 /nfs/dbraw/zinc/87/54/27/442875427.db2.gz GFUPWYIPEOIFLO-WCVJEAGWSA-N 2 1 336.505 1.763 40 0 EDABMP CCOC(=O)[C@@]1(Cc2cc([C@@H]3CCC[NH2+]C3)no2)CCC[N@@H+](C)C1 ZINC000012275168 441130731 /nfs/dbraw/zinc/13/07/31/441130731.db2.gz PTWLDRVNIUIKQH-RDTXWAMCSA-N 2 1 335.448 1.959 40 0 EDABMP c1cc(C[N@@H+]2C[C@@H]3COC[C@@H]([NH+]4CCCC4)[C@@H]3C2)cc2c1OCO2 ZINC000096186819 442063066 /nfs/dbraw/zinc/06/30/66/442063066.db2.gz HLVYLNYHIFDHQC-BRWVUGGUSA-N 2 1 330.428 1.958 40 0 EDABMP c1cc(C[N@H+]2C[C@@H]3COC[C@@H]([NH+]4CCCC4)[C@@H]3C2)cc2c1OCO2 ZINC000096186819 442063074 /nfs/dbraw/zinc/06/30/74/442063074.db2.gz HLVYLNYHIFDHQC-BRWVUGGUSA-N 2 1 330.428 1.958 40 0 EDABMP CCc1nc(C)c(C[N@H+]2[C@H]3CCN(C(C)=O)C[C@@H]3C[C@]2(C)CO)[nH]1 ZINC000257200212 443124530 /nfs/dbraw/zinc/12/45/30/443124530.db2.gz ACKSPULEEBOSMC-QILLFSRXSA-N 2 1 334.464 1.474 40 0 EDABMP CN(C)c1cc(CC[C@H]2C[N@H+](CC3(O)CCOCC3)CCO2)cc[nH+]1 ZINC000257277070 244394244 /nfs/dbraw/zinc/39/42/44/244394244.db2.gz NWHZTUYYFXRFCG-KRWDZBQOSA-N 2 1 349.475 1.323 40 0 EDABMP CN(C)c1cc(CC[C@H]2C[N@@H+](CC3(O)CCOCC3)CCO2)cc[nH+]1 ZINC000257277070 244394249 /nfs/dbraw/zinc/39/42/49/244394249.db2.gz NWHZTUYYFXRFCG-KRWDZBQOSA-N 2 1 349.475 1.323 40 0 EDABMP Cn1cncc1C[N@H+]1CCC[C@@]2(CCC(=O)N2CC[NH+](C)C)CC1 ZINC000096217724 442087816 /nfs/dbraw/zinc/08/78/16/442087816.db2.gz IENSRWXDDXHLNA-GOSISDBHSA-N 2 1 333.480 1.329 40 0 EDABMP C[NH+]1CCN([C@@H]2CC[N@H+](C[C@@H]3CCOC3)[C@H]2Cc2cccnc2)CC1 ZINC000096070040 442017305 /nfs/dbraw/zinc/01/73/05/442017305.db2.gz HARQSXIXHFXPSW-ZCNNSNEGSA-N 2 1 344.503 1.351 40 0 EDABMP C[NH+]1CCN([C@@H]2CC[N@@H+](C[C@@H]3CCOC3)[C@H]2Cc2cccnc2)CC1 ZINC000096070040 442017309 /nfs/dbraw/zinc/01/73/09/442017309.db2.gz HARQSXIXHFXPSW-ZCNNSNEGSA-N 2 1 344.503 1.351 40 0 EDABMP c1ccc(C[N@@H+]2CCC[C@]3(C[C@H](C[NH+]4CCOCC4)CO3)C2)nc1 ZINC000096075547 442021433 /nfs/dbraw/zinc/02/14/33/442021433.db2.gz BPLOUSSOLLXXLJ-MJGOQNOKSA-N 2 1 331.460 1.785 40 0 EDABMP Cc1cc(C[N@@H+]2C[C@H]3[C@@H](C2)COC[C@H]3N2CC[NH+](C)CC2)oc1C ZINC000096185727 442060678 /nfs/dbraw/zinc/06/06/78/442060678.db2.gz AESMQQDVRQGBHY-YTQUADARSA-N 2 1 333.476 1.591 40 0 EDABMP Cc1cc(C[N@H+]2C[C@H]3[C@@H](C2)COC[C@H]3N2CC[NH+](C)CC2)oc1C ZINC000096185727 442060679 /nfs/dbraw/zinc/06/06/79/442060679.db2.gz AESMQQDVRQGBHY-YTQUADARSA-N 2 1 333.476 1.591 40 0 EDABMP C[NH+]1CCN(Cc2cnc3n2CC[N@H+](Cc2ccoc2)CC3)CC1 ZINC000096196924 442070383 /nfs/dbraw/zinc/07/03/83/442070383.db2.gz LYGQKBDVPBSCQS-UHFFFAOYSA-N 2 1 329.448 1.282 40 0 EDABMP CC(=O)N1[C@@H](C[NH+]2CCCC2)C[C@@H]2C[N@@H+](Cc3ccncc3)CC[C@@H]21 ZINC000096185600 442060259 /nfs/dbraw/zinc/06/02/59/442060259.db2.gz VGTRHISWODUGQX-AQNXPRMDSA-N 2 1 342.487 1.989 40 0 EDABMP C[NH+](C)Cc1cn(-c2ccccc2C(=O)N[C@H]2CCC[N@H+](C)C2)cn1 ZINC000257295324 443135296 /nfs/dbraw/zinc/13/52/96/443135296.db2.gz QXWPQWPKYSZVQL-HNNXBMFYSA-N 2 1 341.459 1.758 40 0 EDABMP C[NH+](C)Cc1cn(-c2ccccc2C(=O)N[C@H]2CCC[N@@H+](C)C2)cn1 ZINC000257295324 443135300 /nfs/dbraw/zinc/13/53/00/443135300.db2.gz QXWPQWPKYSZVQL-HNNXBMFYSA-N 2 1 341.459 1.758 40 0 EDABMP Cc1cc(C(=O)NCC[NH+]2CCCC2)nc([C@@H]2CCC[N@H+](C)C2)n1 ZINC000072369318 216176555 /nfs/dbraw/zinc/17/65/55/216176555.db2.gz ZVIKFXIRQVVOQI-OAHLLOKOSA-N 2 1 331.464 1.420 40 0 EDABMP C[C@@H](Cc1ccccn1)NC(=O)C1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000019457018 212029931 /nfs/dbraw/zinc/02/99/31/212029931.db2.gz GITIQSKMMSYTGM-INIZCTEOSA-N 2 1 344.503 1.935 40 0 EDABMP CCOC(=O)[C@]1(Cc2cc([C@@H]3CCC[NH2+]C3)no2)CCC[N@@H+](C)C1 ZINC000012275170 211331025 /nfs/dbraw/zinc/33/10/25/211331025.db2.gz PTWLDRVNIUIKQH-KDOFPFPSSA-N 2 1 335.448 1.959 40 0 EDABMP