smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@H]([NH2+]C1CCN([C@H]2CCCC[C@H]2O)CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000246311474 1433593099 /nfs/dbraw/zinc/59/30/99/1433593099.db2.gz DTPOUCLTEWPRBV-OFAXGOBFSA-N 2 3 389.584 3.046 20 0 GGADHP CC[NH+](CC)CCOc1ccc(C[NH2+][C@@H]2C[C@H](C)N(C)C[C@H]2C)cc1OC ZINC000246920570 1433687300 /nfs/dbraw/zinc/68/73/00/1433687300.db2.gz GSHAJDQTUHCZGL-WSTZPKSXSA-N 2 3 377.573 3.234 20 0 GGADHP C[C@@H]1C[N@@H+](CCCC[NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]23)C[C@H](C)O1 ZINC000248410732 1433800422 /nfs/dbraw/zinc/80/04/22/1433800422.db2.gz HKUTYWOWULCPFN-MRQKEVAZSA-N 2 3 385.596 3.376 20 0 GGADHP C[C@@H]1C[N@H+](CCCC[NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]23)C[C@H](C)O1 ZINC000248410732 1433800423 /nfs/dbraw/zinc/80/04/23/1433800423.db2.gz HKUTYWOWULCPFN-MRQKEVAZSA-N 2 3 385.596 3.376 20 0 GGADHP CC[NH+](C)C[C@@H]1CCN(Cc2ccc(CN3CC[C@H](C[N@@H+](C)CC)C3)cc2)C1 ZINC000173921861 1426892631 /nfs/dbraw/zinc/89/26/31/1426892631.db2.gz HJADEWMYNFNGKX-PSWAGMNNSA-N 2 3 386.628 3.234 20 0 GGADHP CC[NH+](C)C[C@@H]1CCN(Cc2ccc(CN3CC[C@H](C[N@H+](C)CC)C3)cc2)C1 ZINC000173921861 1426892637 /nfs/dbraw/zinc/89/26/37/1426892637.db2.gz HJADEWMYNFNGKX-PSWAGMNNSA-N 2 3 386.628 3.234 20 0 GGADHP CC[NH+](C)C[C@H]1CCN(Cc2ccc(CN3CC[C@@H](C[N@H+](C)CC)C3)cc2)C1 ZINC000173921861 1426892638 /nfs/dbraw/zinc/89/26/38/1426892638.db2.gz HJADEWMYNFNGKX-PSWAGMNNSA-N 2 3 386.628 3.234 20 0 GGADHP CC[NH+](C)C[C@H]1CCN(Cc2ccc(CN3CC[C@@H](C[N@@H+](C)CC)C3)cc2)C1 ZINC000173921861 1426892641 /nfs/dbraw/zinc/89/26/41/1426892641.db2.gz HJADEWMYNFNGKX-PSWAGMNNSA-N 2 3 386.628 3.234 20 0 GGADHP C[C@@H]([NH2+]C1CCN([C@@H]2CCCC[C@@H]2O)CC1)c1cccc(OCC[NH+](C)C)c1 ZINC000181414421 1430291953 /nfs/dbraw/zinc/29/19/53/1430291953.db2.gz VIXWHEDKERUVPB-YSZBQJHXSA-N 2 3 389.584 3.046 20 0 GGADHP C[C@@H]([NH2+]C1CCN([C@H]2CCCC[C@@H]2O)CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000181414025 1430292151 /nfs/dbraw/zinc/29/21/51/1430292151.db2.gz DTPOUCLTEWPRBV-LEOXJPRUSA-N 2 3 389.584 3.046 20 0 GGADHP COCCCN1CCC([NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000183135906 1430625584 /nfs/dbraw/zinc/62/55/84/1430625584.db2.gz FZZGPPMUTWQUDF-OEMFJLHTSA-N 2 3 385.596 3.378 20 0 GGADHP COCCCN1CCC([NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000183135906 1430625591 /nfs/dbraw/zinc/62/55/91/1430625591.db2.gz FZZGPPMUTWQUDF-OEMFJLHTSA-N 2 3 385.596 3.378 20 0 GGADHP C[C@H]([NH2+]C1CCN(C2CC[NH+](C)CC2)CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000274820774 1435095417 /nfs/dbraw/zinc/09/54/17/1435095417.db2.gz BOLZZOUFCNIXAK-RBBKRZOGSA-N 2 3 384.612 3.045 20 0 GGADHP CC[NH+](CC)CCOc1ccc(C[NH2+][C@@H]2C[C@H](C)N(C)C[C@@H]2C)cc1OC ZINC000164923701 1425151946 /nfs/dbraw/zinc/15/19/46/1425151946.db2.gz GSHAJDQTUHCZGL-CMKODMSKSA-N 2 3 377.573 3.234 20 0 GGADHP CC[NH+](CC)CCOc1ccc(C[NH2+][C@@H]2C[C@@H](C)N(C)C[C@H]2C)cc1OC ZINC000246920534 1433687524 /nfs/dbraw/zinc/68/75/24/1433687524.db2.gz GSHAJDQTUHCZGL-QWFCFKBJSA-N 2 3 377.573 3.234 20 0 GGADHP COCCCN1CCC([NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000248395173 1433795573 /nfs/dbraw/zinc/79/55/73/1433795573.db2.gz FZZGPPMUTWQUDF-GMKZXUHWSA-N 2 3 385.596 3.378 20 0 GGADHP COCCCN1CCC([NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000248395173 1433795577 /nfs/dbraw/zinc/79/55/77/1433795577.db2.gz FZZGPPMUTWQUDF-GMKZXUHWSA-N 2 3 385.596 3.378 20 0 GGADHP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000248411753 1433800662 /nfs/dbraw/zinc/80/06/62/1433800662.db2.gz ZPKLPHMAQHWWQW-UEQSERJNSA-N 2 3 385.596 3.114 20 0 GGADHP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000248411753 1433800664 /nfs/dbraw/zinc/80/06/64/1433800664.db2.gz ZPKLPHMAQHWWQW-UEQSERJNSA-N 2 3 385.596 3.114 20 0 GGADHP CC[NH+](CC)CCOc1ccc(C[NH2+][C@@H]2C[C@@H](C)N(C)C[C@@H]2C)cc1OC ZINC000164923942 1425151657 /nfs/dbraw/zinc/15/16/57/1425151657.db2.gz GSHAJDQTUHCZGL-NLWGTHIKSA-N 2 3 377.573 3.234 20 0 GGADHP CC[NH+](C)C[C@@H]1CCN(Cc2ccccc2CN2CC[C@H](C[N@@H+](C)CC)C2)C1 ZINC000173885576 1426881450 /nfs/dbraw/zinc/88/14/50/1426881450.db2.gz OVYMLUOFWOXPCW-SZPZYZBQSA-N 2 3 386.628 3.234 20 0 GGADHP CC[NH+](C)C[C@@H]1CCN(Cc2ccccc2CN2CC[C@H](C[N@H+](C)CC)C2)C1 ZINC000173885576 1426881454 /nfs/dbraw/zinc/88/14/54/1426881454.db2.gz OVYMLUOFWOXPCW-SZPZYZBQSA-N 2 3 386.628 3.234 20 0 GGADHP CC[NH+](C)C[C@H]1CCN(Cc2ccccc2CN2CC[C@@H](C[N@H+](C)CC)C2)C1 ZINC000173885576 1426881455 /nfs/dbraw/zinc/88/14/55/1426881455.db2.gz OVYMLUOFWOXPCW-SZPZYZBQSA-N 2 3 386.628 3.234 20 0 GGADHP CC[NH+](C)C[C@H]1CCN(Cc2ccccc2CN2CC[C@@H](C[N@@H+](C)CC)C2)C1 ZINC000173885576 1426881458 /nfs/dbraw/zinc/88/14/58/1426881458.db2.gz OVYMLUOFWOXPCW-SZPZYZBQSA-N 2 3 386.628 3.234 20 0 GGADHP C[C@H]([NH2+]C1CCN([C@@H]2CCCC[C@@H]2O)CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000181413969 1430292196 /nfs/dbraw/zinc/29/21/96/1430292196.db2.gz DTPOUCLTEWPRBV-NMNUPHIUSA-N 2 3 389.584 3.046 20 0 GGADHP C[C@H](NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000182273516 1430441113 /nfs/dbraw/zinc/44/11/13/1430441113.db2.gz FABYBWMPPPVITK-CVDCTZTESA-N 2 3 397.563 3.044 20 0 GGADHP C[C@H](NCc1ccccc1C[N@H+]1CC[C@H](O)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000182273516 1430441117 /nfs/dbraw/zinc/44/11/17/1430441117.db2.gz FABYBWMPPPVITK-CVDCTZTESA-N 2 3 397.563 3.044 20 0 GGADHP CC(C)N1CCN(CCC[NH+]2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)CC1 ZINC000192759425 1432885780 /nfs/dbraw/zinc/88/57/80/1432885780.db2.gz OFDCTMKPMUBIKK-JOCHJYFZSA-N 2 3 378.649 3.379 20 0 GGADHP CC(C)N1CCN(CCC[NH+]2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)CC1 ZINC000192759425 1432885783 /nfs/dbraw/zinc/88/57/83/1432885783.db2.gz OFDCTMKPMUBIKK-JOCHJYFZSA-N 2 3 378.649 3.379 20 0 GGADHP C[C@H](NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000248434747 1433802355 /nfs/dbraw/zinc/80/23/55/1433802355.db2.gz FABYBWMPPPVITK-WMZHIEFXSA-N 2 3 397.563 3.044 20 0 GGADHP C[C@H](NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000248434747 1433802358 /nfs/dbraw/zinc/80/23/58/1433802358.db2.gz FABYBWMPPPVITK-WMZHIEFXSA-N 2 3 397.563 3.044 20 0 GGADHP C[C@H]([NH2+]C1CCN([C@H]2CCCC[C@@H]2O)CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000181414008 1430291919 /nfs/dbraw/zinc/29/19/19/1430291919.db2.gz DTPOUCLTEWPRBV-TZYHBYERSA-N 2 3 389.584 3.046 20 0 GGADHP C[C@@H]([NH2+]C1CCN([C@H]2CCCC[C@@H]2O)CC1)c1cccc(OCC[NH+](C)C)c1 ZINC000181414457 1430292156 /nfs/dbraw/zinc/29/21/56/1430292156.db2.gz VIXWHEDKERUVPB-LEOXJPRUSA-N 2 3 389.584 3.046 20 0 GGADHP COCCCN1CCC([NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000183135943 1430625635 /nfs/dbraw/zinc/62/56/35/1430625635.db2.gz FZZGPPMUTWQUDF-YFNKSVMNSA-N 2 3 385.596 3.378 20 0 GGADHP COCCCN1CCC([NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000183135943 1430625640 /nfs/dbraw/zinc/62/56/40/1430625640.db2.gz FZZGPPMUTWQUDF-YFNKSVMNSA-N 2 3 385.596 3.378 20 0 GGADHP C[C@H]([NH2+]C1CCN([C@@H]2CCCC[C@H]2O)CC1)c1cccc(OCC[NH+](C)C)c1 ZINC000246531548 1433626246 /nfs/dbraw/zinc/62/62/46/1433626246.db2.gz VIXWHEDKERUVPB-CDNPAEQRSA-N 2 3 389.584 3.046 20 0 GGADHP COCCCN1CCC([NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000248395176 1433795147 /nfs/dbraw/zinc/79/51/47/1433795147.db2.gz FZZGPPMUTWQUDF-QPTUXGOLSA-N 2 3 385.596 3.378 20 0 GGADHP COCCCN1CCC([NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000248395176 1433795152 /nfs/dbraw/zinc/79/51/52/1433795152.db2.gz FZZGPPMUTWQUDF-QPTUXGOLSA-N 2 3 385.596 3.378 20 0 GGADHP C[C@@H]1C[NH+](CCCC[NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]23)C[C@@H](C)O1 ZINC000248410734 1433800363 /nfs/dbraw/zinc/80/03/63/1433800363.db2.gz HKUTYWOWULCPFN-PESUVLPXSA-N 2 3 385.596 3.376 20 0 GGADHP C[C@@H]([NH2+]C1CCN([C@@H]2CCCC[C@@H]2O)CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000181413989 1430292161 /nfs/dbraw/zinc/29/21/61/1430292161.db2.gz DTPOUCLTEWPRBV-YSZBQJHXSA-N 2 3 389.584 3.046 20 0 GGADHP CC(C)N1CCN(CCC[NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)CC1 ZINC000191473717 1432668143 /nfs/dbraw/zinc/66/81/43/1432668143.db2.gz DNIYHHMDBNPRMF-UHFFFAOYSA-N 2 3 386.628 3.247 20 0 GGADHP CC(C)N1CCN(CCC[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)CC1 ZINC000191473717 1432668146 /nfs/dbraw/zinc/66/81/46/1432668146.db2.gz DNIYHHMDBNPRMF-UHFFFAOYSA-N 2 3 386.628 3.247 20 0 GGADHP C[C@H]([NH2+]C1CCN([C@@H]2CCCC[C@H]2O)CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000246311465 1433593057 /nfs/dbraw/zinc/59/30/57/1433593057.db2.gz DTPOUCLTEWPRBV-CDNPAEQRSA-N 2 3 389.584 3.046 20 0 GGADHP C[C@@H]1C[NH+](CCCC[NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]23)C[C@@H](C)O1 ZINC000248410733 1433800376 /nfs/dbraw/zinc/80/03/76/1433800376.db2.gz HKUTYWOWULCPFN-ONIFWJIJSA-N 2 3 385.596 3.376 20 0 GGADHP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000248411752 1433800522 /nfs/dbraw/zinc/80/05/22/1433800522.db2.gz ZPKLPHMAQHWWQW-NEWJYFPISA-N 2 3 385.596 3.114 20 0 GGADHP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000248411752 1433800523 /nfs/dbraw/zinc/80/05/23/1433800523.db2.gz ZPKLPHMAQHWWQW-NEWJYFPISA-N 2 3 385.596 3.114 20 0 GGADHP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000248411750 1433800727 /nfs/dbraw/zinc/80/07/27/1433800727.db2.gz ZPKLPHMAQHWWQW-CJRSTVEYSA-N 2 3 385.596 3.114 20 0 GGADHP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000248411750 1433800729 /nfs/dbraw/zinc/80/07/29/1433800729.db2.gz ZPKLPHMAQHWWQW-CJRSTVEYSA-N 2 3 385.596 3.114 20 0 GGADHP C[C@@H]([NH2+]C1CCN(C2CC[NH+](C)CC2)CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000274820771 1435095528 /nfs/dbraw/zinc/09/55/28/1435095528.db2.gz BOLZZOUFCNIXAK-IRLDBZIGSA-N 2 3 384.612 3.045 20 0 GGADHP C[C@@H](NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000182273538 1430441201 /nfs/dbraw/zinc/44/12/01/1430441201.db2.gz FABYBWMPPPVITK-XXBNENTESA-N 2 3 397.563 3.044 20 0 GGADHP C[C@@H](NCc1ccccc1C[N@H+]1CC[C@H](O)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000182273538 1430441204 /nfs/dbraw/zinc/44/12/04/1430441204.db2.gz FABYBWMPPPVITK-XXBNENTESA-N 2 3 397.563 3.044 20 0 GGADHP CC(C)N1CCN(CCC[NH+]2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)CC1 ZINC000192759435 1432885839 /nfs/dbraw/zinc/88/58/39/1432885839.db2.gz OFDCTMKPMUBIKK-QFIPXVFZSA-N 2 3 378.649 3.379 20 0 GGADHP CC(C)N1CCN(CCC[NH+]2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)CC1 ZINC000192759435 1432885840 /nfs/dbraw/zinc/88/58/40/1432885840.db2.gz OFDCTMKPMUBIKK-QFIPXVFZSA-N 2 3 378.649 3.379 20 0 GGADHP CC(C)N1CCN(CCC[N@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000192783576 1432890323 /nfs/dbraw/zinc/89/03/23/1432890323.db2.gz CQMZMTUENNUKNM-UHFFFAOYSA-N 2 3 387.616 3.036 20 0 GGADHP CC(C)N1CCN(CCC[N@@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000192783576 1432890325 /nfs/dbraw/zinc/89/03/25/1432890325.db2.gz CQMZMTUENNUKNM-UHFFFAOYSA-N 2 3 387.616 3.036 20 0 GGADHP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000248411751 1433800573 /nfs/dbraw/zinc/80/05/73/1433800573.db2.gz ZPKLPHMAQHWWQW-NAVOZUGXSA-N 2 3 385.596 3.114 20 0 GGADHP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000248411751 1433800574 /nfs/dbraw/zinc/80/05/74/1433800574.db2.gz ZPKLPHMAQHWWQW-NAVOZUGXSA-N 2 3 385.596 3.114 20 0 GGADHP CCCN1CCC([NH2+]Cc2cccc(OCC[N@H+](C)C3CCOCC3)c2)CC1 ZINC000163933245 1425059601 /nfs/dbraw/zinc/05/96/01/1425059601.db2.gz ONBXHCNLLSPANY-UHFFFAOYSA-N 2 3 389.584 3.140 20 0 GGADHP CCCN1CCC([NH2+]Cc2cccc(OCC[N@@H+](C)C3CCOCC3)c2)CC1 ZINC000163933245 1425059610 /nfs/dbraw/zinc/05/96/10/1425059610.db2.gz ONBXHCNLLSPANY-UHFFFAOYSA-N 2 3 389.584 3.140 20 0 GGADHP CC[NH+](C)C[C@@H]1CCN(Cc2cccc(CN3CC[C@H](C[N@@H+](C)CC)C3)c2)C1 ZINC000173885539 1426881462 /nfs/dbraw/zinc/88/14/62/1426881462.db2.gz SKSNMMVLKXFKHT-PSWAGMNNSA-N 2 3 386.628 3.234 20 0 GGADHP CC[NH+](C)C[C@@H]1CCN(Cc2cccc(CN3CC[C@H](C[N@H+](C)CC)C3)c2)C1 ZINC000173885539 1426881463 /nfs/dbraw/zinc/88/14/63/1426881463.db2.gz SKSNMMVLKXFKHT-PSWAGMNNSA-N 2 3 386.628 3.234 20 0 GGADHP CC[NH+](C)C[C@H]1CCN(Cc2cccc(CN3CC[C@@H](C[N@H+](C)CC)C3)c2)C1 ZINC000173885539 1426881467 /nfs/dbraw/zinc/88/14/67/1426881467.db2.gz SKSNMMVLKXFKHT-PSWAGMNNSA-N 2 3 386.628 3.234 20 0 GGADHP CC[NH+](C)C[C@H]1CCN(Cc2cccc(CN3CC[C@@H](C[N@@H+](C)CC)C3)c2)C1 ZINC000173885539 1426881468 /nfs/dbraw/zinc/88/14/68/1426881468.db2.gz SKSNMMVLKXFKHT-PSWAGMNNSA-N 2 3 386.628 3.234 20 0 GGADHP C[C@H]([NH2+]C1CCN([C@H]2CCCC[C@@H]2O)CC1)c1cccc(OCC[NH+](C)C)c1 ZINC000181414437 1430292180 /nfs/dbraw/zinc/29/21/80/1430292180.db2.gz VIXWHEDKERUVPB-TZYHBYERSA-N 2 3 389.584 3.046 20 0 GGADHP C[C@H]([NH2+]C1CCN([C@@H]2CCCC[C@@H]2O)CC1)c1cccc(OCC[NH+](C)C)c1 ZINC000181414402 1430292235 /nfs/dbraw/zinc/29/22/35/1430292235.db2.gz VIXWHEDKERUVPB-NMNUPHIUSA-N 2 3 389.584 3.046 20 0 GGADHP C[C@H]([NH2+]C1CCN([C@H]2CCCC[C@H]2O)CC1)c1cccc(OCC[NH+](C)C)c1 ZINC000246531563 1433626224 /nfs/dbraw/zinc/62/62/24/1433626224.db2.gz VIXWHEDKERUVPB-OFAXGOBFSA-N 2 3 389.584 3.046 20 0 GGADHP C[C@@H]1C[N@@H+](CCCC[NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]23)C[C@H](C)O1 ZINC000248410731 1433800453 /nfs/dbraw/zinc/80/04/53/1433800453.db2.gz HKUTYWOWULCPFN-LXCVFVNYSA-N 2 3 385.596 3.376 20 0 GGADHP C[C@@H]1C[N@H+](CCCC[NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]23)C[C@H](C)O1 ZINC000248410731 1433800454 /nfs/dbraw/zinc/80/04/54/1433800454.db2.gz HKUTYWOWULCPFN-LXCVFVNYSA-N 2 3 385.596 3.376 20 0 GGADHP C[C@@H](NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000248434746 1433802460 /nfs/dbraw/zinc/80/24/60/1433802460.db2.gz FABYBWMPPPVITK-AUSIDOKSSA-N 2 3 397.563 3.044 20 0 GGADHP C[C@@H](NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000248434746 1433802462 /nfs/dbraw/zinc/80/24/62/1433802462.db2.gz FABYBWMPPPVITK-AUSIDOKSSA-N 2 3 397.563 3.044 20 0 GGADHP C[C@@H]([NH2+]C1CCN(C2CC[NH+](C)CC2)CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000274820767 1435095386 /nfs/dbraw/zinc/09/53/86/1435095386.db2.gz BOLZZOUFCNIXAK-IFMALSPDSA-N 2 3 384.612 3.045 20 0 GGADHP C[C@H]([NH2+]C1CCN(C2CC[NH+](C)CC2)CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000274820778 1435095497 /nfs/dbraw/zinc/09/54/97/1435095497.db2.gz BOLZZOUFCNIXAK-UNMCSNQZSA-N 2 3 384.612 3.045 20 0 GGADHP