smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name c1cn(-c2cccc([C@H]3CCC[N@@H+](Cc4ccccc4)C3)n2)c[nH+]1 ZINC000072378657 191141684 /nfs/dbraw/zinc/14/16/84/191141684.db2.gz ARYAAYBLDYTALS-SFHVURJKSA-N 2 2 318.424 3.647 40 0 DHABLP c1cn(-c2cccc([C@H]3CCC[N@H+](Cc4ccccc4)C3)n2)c[nH+]1 ZINC000072378657 191141686 /nfs/dbraw/zinc/14/16/86/191141686.db2.gz ARYAAYBLDYTALS-SFHVURJKSA-N 2 2 318.424 3.647 40 0 DHABLP Cc1cn(C)c([C@@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3)C2)[nH+]1 ZINC000257276644 203003351 /nfs/dbraw/zinc/00/33/51/203003351.db2.gz NUOPTTVKRXAHDD-CQSZACIVSA-N 2 2 323.362 3.737 40 0 DHABLP Cc1cn(C)c([C@@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)[nH+]1 ZINC000257276644 203003355 /nfs/dbraw/zinc/00/33/55/203003355.db2.gz NUOPTTVKRXAHDD-CQSZACIVSA-N 2 2 323.362 3.737 40 0 DHABLP Cc1cn(C)c([C@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3)C2)[nH+]1 ZINC000257276643 203005039 /nfs/dbraw/zinc/00/50/39/203005039.db2.gz NUOPTTVKRXAHDD-AWEZNQCLSA-N 2 2 323.362 3.737 40 0 DHABLP Cc1cn(C)c([C@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)[nH+]1 ZINC000257276643 203005042 /nfs/dbraw/zinc/00/50/42/203005042.db2.gz NUOPTTVKRXAHDD-AWEZNQCLSA-N 2 2 323.362 3.737 40 0 DHABLP CN(C)c1cccc(CC[C@@H]2CCCC[N@@H+]2Cc2cccnc2)[nH+]1 ZINC000257286939 203013611 /nfs/dbraw/zinc/01/36/11/203013611.db2.gz PNSPYMUGHLRQGI-IBGZPJMESA-N 2 2 324.472 3.530 40 0 DHABLP CN(C)c1cccc(CC[C@@H]2CCCC[N@H+]2Cc2cccnc2)[nH+]1 ZINC000257286939 203013615 /nfs/dbraw/zinc/01/36/15/203013615.db2.gz PNSPYMUGHLRQGI-IBGZPJMESA-N 2 2 324.472 3.530 40 0 DHABLP Fc1ccccc1C[N@H+](CCCn1cc[nH+]c1)Cc1cccnc1 ZINC000043277827 183350824 /nfs/dbraw/zinc/35/08/24/183350824.db2.gz MKHYURZEBMSGLI-UHFFFAOYSA-N 2 2 324.403 3.510 40 0 DHABLP Fc1ccccc1C[N@@H+](CCCn1cc[nH+]c1)Cc1cccnc1 ZINC000043277827 183350825 /nfs/dbraw/zinc/35/08/25/183350825.db2.gz MKHYURZEBMSGLI-UHFFFAOYSA-N 2 2 324.403 3.510 40 0 DHABLP C[NH+](C)CCC[N@H+](Cc1ccco1)Cc1ccc2ncccc2c1 ZINC000057810856 184055689 /nfs/dbraw/zinc/05/56/89/184055689.db2.gz KAFWOEXLMWDXTQ-UHFFFAOYSA-N 2 2 323.440 3.782 40 0 DHABLP C[NH+](C)CCC[N@@H+](Cc1ccco1)Cc1ccc2ncccc2c1 ZINC000057810856 184055690 /nfs/dbraw/zinc/05/56/90/184055690.db2.gz KAFWOEXLMWDXTQ-UHFFFAOYSA-N 2 2 323.440 3.782 40 0 DHABLP Cc1nc(C[N@@H+]2CCCC23CC[NH+](CC2CCC2)CC3)cs1 ZINC000096075299 563533454 /nfs/dbraw/zinc/53/34/54/563533454.db2.gz WVJPGNWDBQYJHW-UHFFFAOYSA-N 2 2 319.518 3.682 40 0 DHABLP Cc1nc(C[N@H+]2CCCC23CC[NH+](CC2CCC2)CC3)cs1 ZINC000096075299 563533457 /nfs/dbraw/zinc/53/34/57/563533457.db2.gz WVJPGNWDBQYJHW-UHFFFAOYSA-N 2 2 319.518 3.682 40 0 DHABLP Cc1ccccc1C[N@@H+]1CCC[C@H]1c1cccc(-n2cc[nH+]c2)n1 ZINC000072366757 191136935 /nfs/dbraw/zinc/13/69/35/191136935.db2.gz ZCIXBNJDXNNAEG-IBGZPJMESA-N 2 2 318.424 3.913 40 0 DHABLP Cc1ccccc1C[N@H+]1CCC[C@H]1c1cccc(-n2cc[nH+]c2)n1 ZINC000072366757 191136936 /nfs/dbraw/zinc/13/69/36/191136936.db2.gz ZCIXBNJDXNNAEG-IBGZPJMESA-N 2 2 318.424 3.913 40 0 DHABLP Cc1cn(C)c([C@H]2CC[N@H+](Cc3cccc(C(F)(F)F)c3)C2)[nH+]1 ZINC000257220300 563791018 /nfs/dbraw/zinc/79/10/18/563791018.db2.gz DKHXYHFKDQLUGA-AWEZNQCLSA-N 2 2 323.362 3.737 40 0 DHABLP Cc1cn(C)c([C@@H]2CC[N@H+](Cc3ccc(Cl)cc3F)C2)[nH+]1 ZINC000257232653 563791518 /nfs/dbraw/zinc/79/15/18/563791518.db2.gz GLVWGNHKYJGHKU-CYBMUJFWSA-N 2 2 307.800 3.511 40 0 DHABLP Cc1cn(C)c([C@@H]2CC[N@@H+](Cc3ccc(Cl)cc3F)C2)[nH+]1 ZINC000257232653 563791521 /nfs/dbraw/zinc/79/15/21/563791521.db2.gz GLVWGNHKYJGHKU-CYBMUJFWSA-N 2 2 307.800 3.511 40 0 DHABLP Fc1ccccc1C[N@@H+]1CCC[C@@H]1c1cccc(-n2cc[nH+]c2)n1 ZINC000072355429 191129202 /nfs/dbraw/zinc/12/92/02/191129202.db2.gz DHTUKQZEARSKPA-GOSISDBHSA-N 2 2 322.387 3.744 40 0 DHABLP Fc1ccccc1C[N@H+]1CCC[C@@H]1c1cccc(-n2cc[nH+]c2)n1 ZINC000072355429 191129205 /nfs/dbraw/zinc/12/92/05/191129205.db2.gz DHTUKQZEARSKPA-GOSISDBHSA-N 2 2 322.387 3.744 40 0 DHABLP CCc1[nH+]ccn1-c1cccc([C@@H]2CCC[N@@H+]2C2CCCC2)n1 ZINC000072379128 191141030 /nfs/dbraw/zinc/14/10/30/191141030.db2.gz CQUAWTAZQNPNTJ-KRWDZBQOSA-N 2 2 310.445 3.909 40 0 DHABLP CCc1[nH+]ccn1-c1cccc([C@@H]2CCC[N@H+]2C2CCCC2)n1 ZINC000072379128 191141032 /nfs/dbraw/zinc/14/10/32/191141032.db2.gz CQUAWTAZQNPNTJ-KRWDZBQOSA-N 2 2 310.445 3.909 40 0 DHABLP Cc1cccc(C[NH+]2CCC3(CCC[N@@H+]3CC3CCC3)CC2)n1 ZINC000096159392 563534824 /nfs/dbraw/zinc/53/48/24/563534824.db2.gz WZTSLFYWJZOBCR-UHFFFAOYSA-N 2 2 313.489 3.621 40 0 DHABLP Cc1cccc(C[NH+]2CCC3(CCC[N@H+]3CC3CCC3)CC2)n1 ZINC000096159392 563534827 /nfs/dbraw/zinc/53/48/27/563534827.db2.gz WZTSLFYWJZOBCR-UHFFFAOYSA-N 2 2 313.489 3.621 40 0 DHABLP Cc1cn(C)c([C@@H]2CC[N@H+](Cc3cccc(OC(C)C)c3)C2)[nH+]1 ZINC000257210508 563789515 /nfs/dbraw/zinc/78/95/15/563789515.db2.gz BUYJOULVWLADLA-QGZVFWFLSA-N 2 2 313.445 3.505 40 0 DHABLP CN(C)c1cccc(CC[C@@H]2CCCC[N@@H+]2Cc2ccccn2)[nH+]1 ZINC000257214189 563790779 /nfs/dbraw/zinc/79/07/79/563790779.db2.gz CKYNWFZOXLBBJJ-IBGZPJMESA-N 2 2 324.472 3.530 40 0 DHABLP CN(C)c1cccc(CC[C@@H]2CCCC[N@H+]2Cc2ccccn2)[nH+]1 ZINC000257214189 563790783 /nfs/dbraw/zinc/79/07/83/563790783.db2.gz CKYNWFZOXLBBJJ-IBGZPJMESA-N 2 2 324.472 3.530 40 0 DHABLP COc1ccc2[nH]c(C[N@H+]3CCC[C@@H](c4[nH]cc(C)[nH+]4)C3)cc2c1 ZINC000257207746 563789618 /nfs/dbraw/zinc/78/96/18/563789618.db2.gz BJBCZLMOALORBA-CQSZACIVSA-N 2 2 324.428 3.588 40 0 DHABLP CCc1[nH+]ccn1-c1cccc([C@H]2CCC[N@@H+](C3CCCC3)C2)n1 ZINC000072379135 191141273 /nfs/dbraw/zinc/14/12/73/191141273.db2.gz LCAFLKJYMQACOZ-INIZCTEOSA-N 2 2 324.472 3.952 40 0 DHABLP CCc1[nH+]ccn1-c1cccc([C@H]2CCC[N@H+](C3CCCC3)C2)n1 ZINC000072379135 191141275 /nfs/dbraw/zinc/14/12/75/191141275.db2.gz LCAFLKJYMQACOZ-INIZCTEOSA-N 2 2 324.472 3.952 40 0 DHABLP c1cn(-c2cccc(C3CC[NH+](C4CCCCC4)CC3)n2)c[nH+]1 ZINC000072379147 191141503 /nfs/dbraw/zinc/14/15/03/191141503.db2.gz QPKYQWYCNPDDNP-UHFFFAOYSA-N 2 2 310.445 3.779 40 0 DHABLP c1cc(C[N@@H+]2CC[C@]3(C2)CCCN(c2cccc[nH+]2)C3)cs1 ZINC000096216636 563535536 /nfs/dbraw/zinc/53/55/36/563535536.db2.gz YSMUSOLMXQKXMV-SFHVURJKSA-N 2 2 313.470 3.636 40 0 DHABLP c1cc(C[N@H+]2CC[C@]3(C2)CCCN(c2cccc[nH+]2)C3)cs1 ZINC000096216636 563535537 /nfs/dbraw/zinc/53/55/37/563535537.db2.gz YSMUSOLMXQKXMV-SFHVURJKSA-N 2 2 313.470 3.636 40 0 DHABLP Cc1cn(C)c([C@H]2CCC[N@H+](Cc3cccc4[nH]ccc43)C2)[nH+]1 ZINC000257251186 563792173 /nfs/dbraw/zinc/79/21/73/563792173.db2.gz JPTKDIXDLAULGG-INIZCTEOSA-N 2 2 308.429 3.589 40 0 DHABLP Cc1cn(C)c([C@H]2CCC[N@@H+](Cc3cccc4[nH]ccc43)C2)[nH+]1 ZINC000257251186 563792175 /nfs/dbraw/zinc/79/21/75/563792175.db2.gz JPTKDIXDLAULGG-INIZCTEOSA-N 2 2 308.429 3.589 40 0 DHABLP Fc1cccc(C[N@@H+]2CCC[C@H]2c2cccc(-n3cc[nH+]c3)n2)c1 ZINC000072355497 191128693 /nfs/dbraw/zinc/12/86/93/191128693.db2.gz BZYKBGZWFIIRAX-SFHVURJKSA-N 2 2 322.387 3.744 40 0 DHABLP Fc1cccc(C[N@H+]2CCC[C@H]2c2cccc(-n3cc[nH+]c3)n2)c1 ZINC000072355497 191128695 /nfs/dbraw/zinc/12/86/95/191128695.db2.gz BZYKBGZWFIIRAX-SFHVURJKSA-N 2 2 322.387 3.744 40 0 DHABLP c1cn(-c2cccc([C@@H]3CCC[N@@H+](C4CCCCC4)C3)n2)c[nH+]1 ZINC000072378709 191140353 /nfs/dbraw/zinc/14/03/53/191140353.db2.gz QLLSBISZAZPDDY-MRXNPFEDSA-N 2 2 310.445 3.779 40 0 DHABLP c1cn(-c2cccc([C@@H]3CCC[N@H+](C4CCCCC4)C3)n2)c[nH+]1 ZINC000072378709 191140356 /nfs/dbraw/zinc/14/03/56/191140356.db2.gz QLLSBISZAZPDDY-MRXNPFEDSA-N 2 2 310.445 3.779 40 0 DHABLP CN(C)c1cccc(CC[C@H]2CCCC[N@@H+]2Cc2cccnc2)[nH+]1 ZINC000257286940 203013960 /nfs/dbraw/zinc/01/39/60/203013960.db2.gz PNSPYMUGHLRQGI-LJQANCHMSA-N 2 2 324.472 3.530 40 0 DHABLP CN(C)c1cccc(CC[C@H]2CCCC[N@H+]2Cc2cccnc2)[nH+]1 ZINC000257286940 203013963 /nfs/dbraw/zinc/01/39/63/203013963.db2.gz PNSPYMUGHLRQGI-LJQANCHMSA-N 2 2 324.472 3.530 40 0 DHABLP [NH3+]C[C@@H](c1ccc(OCc2ccccc2)cc1)[NH+]1CCCCC1 ZINC000039789204 183021755 /nfs/dbraw/zinc/02/17/55/183021755.db2.gz HOPXZCVDKWEDPB-FQEVSTJZSA-N 2 2 310.441 3.751 40 0 DHABLP Fc1cccc([C@@H]2C[N@H+](Cc3ccccc3)[C@@H]3CCCC[NH2+][C@@H]23)c1 ZINC000095951726 563531273 /nfs/dbraw/zinc/53/12/73/563531273.db2.gz IWRWODFGAFPPPV-HBMCJLEFSA-N 2 2 324.443 3.936 40 0 DHABLP Fc1cccc([C@@H]2C[N@@H+](Cc3ccccc3)[C@@H]3CCCC[NH2+][C@@H]23)c1 ZINC000095951726 563531274 /nfs/dbraw/zinc/53/12/74/563531274.db2.gz IWRWODFGAFPPPV-HBMCJLEFSA-N 2 2 324.443 3.936 40 0 DHABLP Cc1cn(C)c([C@@H]2CC[N@H+](Cc3ccc(F)cc3Cl)C2)[nH+]1 ZINC000257230677 563791892 /nfs/dbraw/zinc/79/18/92/563791892.db2.gz GDJUGRDRQCIECZ-CYBMUJFWSA-N 2 2 307.800 3.511 40 0 DHABLP Cc1cn(C)c([C@@H]2CC[N@@H+](Cc3ccc(F)cc3Cl)C2)[nH+]1 ZINC000257230677 563791895 /nfs/dbraw/zinc/79/18/95/563791895.db2.gz GDJUGRDRQCIECZ-CYBMUJFWSA-N 2 2 307.800 3.511 40 0 DHABLP Cc1cn(C)c([C@H]2CC[N@H+](Cc3ccc(Cl)c(F)c3)C2)[nH+]1 ZINC000257319989 203044689 /nfs/dbraw/zinc/04/46/89/203044689.db2.gz VUWUAFHPXNHSBB-ZDUSSCGKSA-N 2 2 307.800 3.511 40 0 DHABLP Cc1cn(C)c([C@H]2CC[N@@H+](Cc3ccc(Cl)c(F)c3)C2)[nH+]1 ZINC000257319989 203044692 /nfs/dbraw/zinc/04/46/92/203044692.db2.gz VUWUAFHPXNHSBB-ZDUSSCGKSA-N 2 2 307.800 3.511 40 0 DHABLP c1ccc([C@H]2CC[N@@H+](Cc3ccccn3)[C@@H]3CCCC[NH2+][C@H]23)cc1 ZINC000019373896 182121052 /nfs/dbraw/zinc/12/10/52/182121052.db2.gz LPJGERFGODNKHV-NJDAHSKKSA-N 2 2 321.468 3.582 40 0 DHABLP c1ccc([C@H]2CC[N@H+](Cc3ccccn3)[C@@H]3CCCC[NH2+][C@H]23)cc1 ZINC000019373896 182121053 /nfs/dbraw/zinc/12/10/53/182121053.db2.gz LPJGERFGODNKHV-NJDAHSKKSA-N 2 2 321.468 3.582 40 0 DHABLP c1ccc([C@H]2CC[N@@H+](Cc3cccnc3)[C@@H]3CCCC[NH2+][C@H]23)cc1 ZINC000019373897 182120680 /nfs/dbraw/zinc/12/06/80/182120680.db2.gz SLGFIRLRWWKSEH-NJDAHSKKSA-N 2 2 321.468 3.582 40 0 DHABLP c1ccc([C@H]2CC[N@H+](Cc3cccnc3)[C@@H]3CCCC[NH2+][C@H]23)cc1 ZINC000019373897 182120682 /nfs/dbraw/zinc/12/06/82/182120682.db2.gz SLGFIRLRWWKSEH-NJDAHSKKSA-N 2 2 321.468 3.582 40 0 DHABLP Cc1[nH+]ccn1-c1cccc([C@@H]2CCC[N@@H+]2Cc2ccoc2)n1 ZINC000072366758 191136331 /nfs/dbraw/zinc/13/63/31/191136331.db2.gz YQNWKGXHOWXDQO-KRWDZBQOSA-N 2 2 308.385 3.506 40 0 DHABLP Cc1[nH+]ccn1-c1cccc([C@@H]2CCC[N@H+]2Cc2ccoc2)n1 ZINC000072366758 191136333 /nfs/dbraw/zinc/13/63/33/191136333.db2.gz YQNWKGXHOWXDQO-KRWDZBQOSA-N 2 2 308.385 3.506 40 0 DHABLP Cc1ccc(C[N@@H+]2CCC[C@@H]2c2cccc(-n3cc[nH+]c3)n2)o1 ZINC000072366754 191136622 /nfs/dbraw/zinc/13/66/22/191136622.db2.gz NTYRXICVRXATBU-QGZVFWFLSA-N 2 2 308.385 3.506 40 0 DHABLP Cc1ccc(C[N@H+]2CCC[C@@H]2c2cccc(-n3cc[nH+]c3)n2)o1 ZINC000072366754 191136625 /nfs/dbraw/zinc/13/66/25/191136625.db2.gz NTYRXICVRXATBU-QGZVFWFLSA-N 2 2 308.385 3.506 40 0 DHABLP Cc1cccc(C[N@@H+]2CCC[C@H]3[NH2+]C[C@H](c4ccc(F)cc4)[C@H]32)c1 ZINC000019235014 182111269 /nfs/dbraw/zinc/11/12/69/182111269.db2.gz SZAGRAZPMKNXMT-NJDAHSKKSA-N 2 2 324.443 3.854 40 0 DHABLP Cc1cccc(C[N@H+]2CCC[C@H]3[NH2+]C[C@H](c4ccc(F)cc4)[C@H]32)c1 ZINC000019235014 182111271 /nfs/dbraw/zinc/11/12/71/182111271.db2.gz SZAGRAZPMKNXMT-NJDAHSKKSA-N 2 2 324.443 3.854 40 0 DHABLP c1ccc([C@H]2CC[NH2+][C@@H]3CCCC[N@@H+](Cc4cccnc4)[C@H]23)cc1 ZINC000019373932 182120622 /nfs/dbraw/zinc/12/06/22/182120622.db2.gz IPIVRNNOFVDKTP-NJDAHSKKSA-N 2 2 321.468 3.582 40 0 DHABLP c1ccc([C@H]2CC[NH2+][C@@H]3CCCC[N@H+](Cc4cccnc4)[C@H]23)cc1 ZINC000019373932 182120624 /nfs/dbraw/zinc/12/06/24/182120624.db2.gz IPIVRNNOFVDKTP-NJDAHSKKSA-N 2 2 321.468 3.582 40 0 DHABLP Cc1ncsc1C[N@@H+]1CCC[C@@H]1CCc1cc[nH+]c(C)c1 ZINC000257233992 563791777 /nfs/dbraw/zinc/79/17/77/563791777.db2.gz GRPNZYDVAANDHC-MRXNPFEDSA-N 2 2 301.459 3.752 40 0 DHABLP Cc1ncsc1C[N@H+]1CCC[C@@H]1CCc1cc[nH+]c(C)c1 ZINC000257233992 563791780 /nfs/dbraw/zinc/79/17/80/563791780.db2.gz GRPNZYDVAANDHC-MRXNPFEDSA-N 2 2 301.459 3.752 40 0 DHABLP CCCn1ccnc1C[N@@H+]1CCC[C@@H]1CCc1cc[nH+]c(C)c1 ZINC000257258990 563792232 /nfs/dbraw/zinc/79/22/32/563792232.db2.gz KWJPPPKZBRGREC-GOSISDBHSA-N 2 2 312.461 3.594 40 0 DHABLP CCCn1ccnc1C[N@H+]1CCC[C@@H]1CCc1cc[nH+]c(C)c1 ZINC000257258990 563792234 /nfs/dbraw/zinc/79/22/34/563792234.db2.gz KWJPPPKZBRGREC-GOSISDBHSA-N 2 2 312.461 3.594 40 0 DHABLP Fc1cccc(C[N@@H+]2CCC[C@@H]2c2cccc(-n3cc[nH+]c3)n2)c1 ZINC000072355496 191128836 /nfs/dbraw/zinc/12/88/36/191128836.db2.gz BZYKBGZWFIIRAX-GOSISDBHSA-N 2 2 322.387 3.744 40 0 DHABLP Fc1cccc(C[N@H+]2CCC[C@@H]2c2cccc(-n3cc[nH+]c3)n2)c1 ZINC000072355496 191128838 /nfs/dbraw/zinc/12/88/38/191128838.db2.gz BZYKBGZWFIIRAX-GOSISDBHSA-N 2 2 322.387 3.744 40 0 DHABLP CC[NH+](CC)CCCNc1[nH+]cc(C)c2[nH]c3cc[nH+]cc3c21 ZINC000001618132 563287814 /nfs/dbraw/zinc/28/78/14/563287814.db2.gz CQXVVSCTWVUGNF-UHFFFAOYSA-N 3 2 311.433 3.563 40 0 DHABLP Cc1ccc(C[N@@H+]2CCC[C@@]3(CC[NH+](Cc4ccco4)C3)C2)o1 ZINC000096215869 563535746 /nfs/dbraw/zinc/53/57/46/563535746.db2.gz JYTDMDGMDZPZMS-LJQANCHMSA-N 2 2 314.429 3.669 40 0 DHABLP Cc1ccc(C[N@H+]2CCC[C@@]3(CC[NH+](Cc4ccco4)C3)C2)o1 ZINC000096215869 563535748 /nfs/dbraw/zinc/53/57/48/563535748.db2.gz JYTDMDGMDZPZMS-LJQANCHMSA-N 2 2 314.429 3.669 40 0 DHABLP Cc1ccc(C[NH+]2CCC[C@@]3(CC[N@H+](Cc4ccco4)C3)C2)o1 ZINC000096215869 563535750 /nfs/dbraw/zinc/53/57/50/563535750.db2.gz JYTDMDGMDZPZMS-LJQANCHMSA-N 2 2 314.429 3.669 40 0 DHABLP Cc1ccc(C[NH+]2CCC[C@@]3(CC[N@@H+](Cc4ccco4)C3)C2)o1 ZINC000096215869 563535752 /nfs/dbraw/zinc/53/57/52/563535752.db2.gz JYTDMDGMDZPZMS-LJQANCHMSA-N 2 2 314.429 3.669 40 0 DHABLP Fc1cc(F)cc(C[N@@H+]2CCC[C@@H]2c2cccc3[nH+]ccn32)c1 ZINC000257229787 563790869 /nfs/dbraw/zinc/79/08/69/563790869.db2.gz FZMBBQLIDXEKTB-MRXNPFEDSA-N 2 2 313.351 3.950 40 0 DHABLP Fc1cc(F)cc(C[N@H+]2CCC[C@@H]2c2cccc3[nH+]ccn32)c1 ZINC000257229787 563790874 /nfs/dbraw/zinc/79/08/74/563790874.db2.gz FZMBBQLIDXEKTB-MRXNPFEDSA-N 2 2 313.351 3.950 40 0 DHABLP Cc1cn(C)c([C@@H]2CCC[N@H+](Cc3cccc4[nH]ccc43)C2)[nH+]1 ZINC000257251187 563792387 /nfs/dbraw/zinc/79/23/87/563792387.db2.gz JPTKDIXDLAULGG-MRXNPFEDSA-N 2 2 308.429 3.589 40 0 DHABLP Cc1cn(C)c([C@@H]2CCC[N@@H+](Cc3cccc4[nH]ccc43)C2)[nH+]1 ZINC000257251187 563792390 /nfs/dbraw/zinc/79/23/90/563792390.db2.gz JPTKDIXDLAULGG-MRXNPFEDSA-N 2 2 308.429 3.589 40 0 DHABLP C[NH+](CCC[NH2+]C1CCCCC1)CCC[NH2+]C1CCCCC1 ZINC000255189364 1026267263 /nfs/dbraw/zinc/26/72/63/1026267263.db2.gz PIDPGZGNIYMRIT-UHFFFAOYSA-N 3 2 309.542 3.543 40 0 DHABLP Cc1c(Cl)cccc1-c1ccc(C[NH2+]CCC[NH+](C)C)o1 ZINC000008548496 563347391 /nfs/dbraw/zinc/34/73/91/563347391.db2.gz JRTISELMZVGGJM-UHFFFAOYSA-N 2 2 306.837 3.950 40 0 DHABLP Fc1ccccc1C[N@H+](CCCn1cc[nH+]c1)Cc1ccco1 ZINC000036740351 563456924 /nfs/dbraw/zinc/45/69/24/563456924.db2.gz ZZFLBKXRWQGZPD-UHFFFAOYSA-N 2 2 313.376 3.708 40 0 DHABLP Fc1ccccc1C[N@@H+](CCCn1cc[nH+]c1)Cc1ccco1 ZINC000036740351 563456927 /nfs/dbraw/zinc/45/69/27/563456927.db2.gz ZZFLBKXRWQGZPD-UHFFFAOYSA-N 2 2 313.376 3.708 40 0 DHABLP Cc1cc(CC[C@H]2CCC[N@H+]2Cc2nccn2C(C)C)cc[nH+]1 ZINC000257265784 563792606 /nfs/dbraw/zinc/79/26/06/563792606.db2.gz MAFRZYJQMINMCW-GOSISDBHSA-N 2 2 312.461 3.765 40 0 DHABLP Cc1cc(CC[C@H]2CCC[N@@H+]2Cc2nccn2C(C)C)cc[nH+]1 ZINC000257265784 563792609 /nfs/dbraw/zinc/79/26/09/563792609.db2.gz MAFRZYJQMINMCW-GOSISDBHSA-N 2 2 312.461 3.765 40 0 DHABLP Cc1ccc(C[N@H+](CCCn2cc[nH+]c2)Cc2ccsc2)o1 ZINC000043277748 183350338 /nfs/dbraw/zinc/35/03/38/183350338.db2.gz HJBCONLOSUYKIC-UHFFFAOYSA-N 2 2 315.442 3.939 40 0 DHABLP Cc1ccc(C[N@@H+](CCCn2cc[nH+]c2)Cc2ccsc2)o1 ZINC000043277748 183350340 /nfs/dbraw/zinc/35/03/40/183350340.db2.gz HJBCONLOSUYKIC-UHFFFAOYSA-N 2 2 315.442 3.939 40 0 DHABLP COc1ccc(-c2ccc(C[NH2+]CCC[NH+](C)C)o2)cc1Cl ZINC000008373877 563346743 /nfs/dbraw/zinc/34/67/43/563346743.db2.gz DLRZDYIDMGRDGA-UHFFFAOYSA-N 2 2 322.836 3.650 40 0 DHABLP CC[N@H+](CC1(c2ccc(Cl)cc2)CC1)C1CC[NH+](C)CC1 ZINC000036743653 563457534 /nfs/dbraw/zinc/45/75/34/563457534.db2.gz DDIIZJISVIAXLO-UHFFFAOYSA-N 2 2 306.881 3.788 40 0 DHABLP CC[N@@H+](CC1(c2ccc(Cl)cc2)CC1)C1CC[NH+](C)CC1 ZINC000036743653 563457536 /nfs/dbraw/zinc/45/75/36/563457536.db2.gz DDIIZJISVIAXLO-UHFFFAOYSA-N 2 2 306.881 3.788 40 0 DHABLP Cc1ccccc1C[NH+]1CC2(C1)CC[N@H+](Cc1ccccc1)C2 ZINC000096070804 563532542 /nfs/dbraw/zinc/53/25/42/563532542.db2.gz MXTSBTZEIQKUQL-UHFFFAOYSA-N 2 2 306.453 3.703 40 0 DHABLP Cc1ccccc1C[NH+]1CC2(C1)CC[N@@H+](Cc1ccccc1)C2 ZINC000096070804 563532546 /nfs/dbraw/zinc/53/25/46/563532546.db2.gz MXTSBTZEIQKUQL-UHFFFAOYSA-N 2 2 306.453 3.703 40 0 DHABLP c1cc(C[N@@H+]2CC[C@@]3(C2)CCCN(c2cccc[nH+]2)C3)cs1 ZINC000096216633 563535390 /nfs/dbraw/zinc/53/53/90/563535390.db2.gz YSMUSOLMXQKXMV-GOSISDBHSA-N 2 2 313.470 3.636 40 0 DHABLP c1cc(C[N@H+]2CC[C@@]3(C2)CCCN(c2cccc[nH+]2)C3)cs1 ZINC000096216633 563535394 /nfs/dbraw/zinc/53/53/94/563535394.db2.gz YSMUSOLMXQKXMV-GOSISDBHSA-N 2 2 313.470 3.636 40 0 DHABLP Cc1ncsc1C[N@@H+]1CCC[C@H]1CCc1cc[nH+]c(C)c1 ZINC000257233991 563791701 /nfs/dbraw/zinc/79/17/01/563791701.db2.gz GRPNZYDVAANDHC-INIZCTEOSA-N 2 2 301.459 3.752 40 0 DHABLP Cc1ncsc1C[N@H+]1CCC[C@H]1CCc1cc[nH+]c(C)c1 ZINC000257233991 563791705 /nfs/dbraw/zinc/79/17/05/563791705.db2.gz GRPNZYDVAANDHC-INIZCTEOSA-N 2 2 301.459 3.752 40 0 DHABLP c1cn(CCC[N@@H+](Cc2ccncc2)C[C@@H]2CC=CCC2)c[nH+]1 ZINC000013991187 1022010321 /nfs/dbraw/zinc/01/03/21/1022010321.db2.gz GDXZNXRJJUYZGU-GOSISDBHSA-N 2 2 310.445 3.527 40 0 DHABLP c1cn(CCC[N@H+](Cc2ccncc2)C[C@@H]2CC=CCC2)c[nH+]1 ZINC000013991187 1022010339 /nfs/dbraw/zinc/01/03/39/1022010339.db2.gz GDXZNXRJJUYZGU-GOSISDBHSA-N 2 2 310.445 3.527 40 0 DHABLP Cc1cn(C)c([C@H]2CC[N@@H+](Cc3ccc(F)cc3Cl)C2)[nH+]1 ZINC000257230678 563791457 /nfs/dbraw/zinc/79/14/57/563791457.db2.gz GDJUGRDRQCIECZ-ZDUSSCGKSA-N 2 2 307.800 3.511 40 0 DHABLP Cc1ccc(C[N@@H+]2CCC[C@]3(CC[NH+](Cc4ccco4)C3)C2)o1 ZINC000096215865 563535430 /nfs/dbraw/zinc/53/54/30/563535430.db2.gz JYTDMDGMDZPZMS-IBGZPJMESA-N 2 2 314.429 3.669 40 0 DHABLP Cc1ccc(C[N@H+]2CCC[C@]3(CC[NH+](Cc4ccco4)C3)C2)o1 ZINC000096215865 563535434 /nfs/dbraw/zinc/53/54/34/563535434.db2.gz JYTDMDGMDZPZMS-IBGZPJMESA-N 2 2 314.429 3.669 40 0 DHABLP Cc1ccc(C[NH+]2CCC[C@]3(CC[N@H+](Cc4ccco4)C3)C2)o1 ZINC000096215865 563535437 /nfs/dbraw/zinc/53/54/37/563535437.db2.gz JYTDMDGMDZPZMS-IBGZPJMESA-N 2 2 314.429 3.669 40 0 DHABLP Cc1ccc(C[NH+]2CCC[C@]3(CC[N@@H+](Cc4ccco4)C3)C2)o1 ZINC000096215865 563535442 /nfs/dbraw/zinc/53/54/42/563535442.db2.gz JYTDMDGMDZPZMS-IBGZPJMESA-N 2 2 314.429 3.669 40 0 DHABLP Cc1cn(C)c([C@H]2CC[N@H+](Cc3ccc(F)cc3Cl)C2)[nH+]1 ZINC000257230678 563791455 /nfs/dbraw/zinc/79/14/55/563791455.db2.gz GDJUGRDRQCIECZ-ZDUSSCGKSA-N 2 2 307.800 3.511 40 0 DHABLP [NH3+]C[C@H](O)c1ccc(Nc2cc[nH+]c3cc(Cl)ccc23)cc1 ZINC000001602606 563287534 /nfs/dbraw/zinc/28/75/34/563287534.db2.gz BHQZWHNQMWUCQP-KRWDZBQOSA-N 2 2 313.788 3.624 40 0 DHABLP Cc1cc(N2CC[NH2+]CC2)c2cccc(Oc3ccccc3)c2[nH+]1 ZINC000225322339 563752270 /nfs/dbraw/zinc/75/22/70/563752270.db2.gz MYRGWYKGNXGNHY-UHFFFAOYSA-N 2 2 319.408 3.745 40 0 DHABLP Fc1ccccc1C[N@@H+]1CCC[C@H]1c1cccc(-n2cc[nH+]c2)n1 ZINC000072355430 191128920 /nfs/dbraw/zinc/12/89/20/191128920.db2.gz DHTUKQZEARSKPA-SFHVURJKSA-N 2 2 322.387 3.744 40 0 DHABLP Fc1ccccc1C[N@H+]1CCC[C@H]1c1cccc(-n2cc[nH+]c2)n1 ZINC000072355430 191128922 /nfs/dbraw/zinc/12/89/22/191128922.db2.gz DHTUKQZEARSKPA-SFHVURJKSA-N 2 2 322.387 3.744 40 0 DHABLP Cc1c[nH]c([C@H]2CC[N@H+](Cc3[nH]c4ccc(F)cc4c3C)C2)[nH+]1 ZINC000257272604 203002916 /nfs/dbraw/zinc/00/29/16/203002916.db2.gz NDASRKKRNNVFLP-ZDUSSCGKSA-N 2 2 312.392 3.636 40 0 DHABLP Cc1c[nH]c([C@H]2CC[N@@H+](Cc3[nH]c4ccc(F)cc4c3C)C2)[nH+]1 ZINC000257272604 203002919 /nfs/dbraw/zinc/00/29/19/203002919.db2.gz NDASRKKRNNVFLP-ZDUSSCGKSA-N 2 2 312.392 3.636 40 0 DHABLP Fc1ccc([C@@H]2C[N@H+](Cc3ccccc3)[C@H]3CCC[NH2+][C@@H]23)cc1 ZINC000257286066 203014105 /nfs/dbraw/zinc/01/41/05/203014105.db2.gz PKAQOSIRGBKHRJ-UFYCRDLUSA-N 2 2 310.416 3.546 40 0 DHABLP Fc1ccc([C@@H]2C[N@@H+](Cc3ccccc3)[C@H]3CCC[NH2+][C@@H]23)cc1 ZINC000257286066 203014109 /nfs/dbraw/zinc/01/41/09/203014109.db2.gz PKAQOSIRGBKHRJ-UFYCRDLUSA-N 2 2 310.416 3.546 40 0 DHABLP COc1ccc2[nH]c(C[N@H+]3CCC[C@H](c4[nH]cc(C)[nH+]4)C3)cc2c1 ZINC000257207745 563789559 /nfs/dbraw/zinc/78/95/59/563789559.db2.gz BJBCZLMOALORBA-AWEZNQCLSA-N 2 2 324.428 3.588 40 0 DHABLP CNc1cccc(CC[C@@H]2CCCC[N@@H+]2Cc2ccccn2)[nH+]1 ZINC000257227699 563790924 /nfs/dbraw/zinc/79/09/24/563790924.db2.gz FQMQOAPBKDLIHM-SFHVURJKSA-N 2 2 310.445 3.506 40 0 DHABLP c1cn(-c2cccc([C@@H]3CCC[N@H+]3Cc3ccccc3)n2)c[nH+]1 ZINC000072355456 191128608 /nfs/dbraw/zinc/12/86/08/191128608.db2.gz LWRXQJMDJMUFGO-SFHVURJKSA-N 2 2 304.397 3.604 40 0 DHABLP c1cn(-c2cccc([C@@H]3CCC[N@@H+]3Cc3ccccc3)n2)c[nH+]1 ZINC000072355456 191128611 /nfs/dbraw/zinc/12/86/11/191128611.db2.gz LWRXQJMDJMUFGO-SFHVURJKSA-N 2 2 304.397 3.604 40 0 DHABLP CCc1[nH+]ccn1-c1cccc([C@H]2CCC[N@@H+]2C2CCCC2)n1 ZINC000072379129 191141847 /nfs/dbraw/zinc/14/18/47/191141847.db2.gz CQUAWTAZQNPNTJ-QGZVFWFLSA-N 2 2 310.445 3.909 40 0 DHABLP CCc1[nH+]ccn1-c1cccc([C@H]2CCC[N@H+]2C2CCCC2)n1 ZINC000072379129 191141848 /nfs/dbraw/zinc/14/18/48/191141848.db2.gz CQUAWTAZQNPNTJ-QGZVFWFLSA-N 2 2 310.445 3.909 40 0 DHABLP Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@H]1N2CCc1ccc(C)[nH+]c1 ZINC000091244411 193025162 /nfs/dbraw/zinc/02/51/62/193025162.db2.gz GOCKVWBQSRYQFB-PZJWPPBQSA-N 2 2 321.468 3.549 40 0 DHABLP Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@H]1N2CCc1ccc(C)[nH+]c1 ZINC000091244411 193025165 /nfs/dbraw/zinc/02/51/65/193025165.db2.gz GOCKVWBQSRYQFB-PZJWPPBQSA-N 2 2 321.468 3.549 40 0 DHABLP Cc1cn(C)c([C@@H]2CC[N@H+](Cc3ccc(Cl)c(F)c3)C2)[nH+]1 ZINC000257319988 203044665 /nfs/dbraw/zinc/04/46/65/203044665.db2.gz VUWUAFHPXNHSBB-CYBMUJFWSA-N 2 2 307.800 3.511 40 0 DHABLP Cc1cn(C)c([C@@H]2CC[N@@H+](Cc3ccc(Cl)c(F)c3)C2)[nH+]1 ZINC000257319988 203044670 /nfs/dbraw/zinc/04/46/70/203044670.db2.gz VUWUAFHPXNHSBB-CYBMUJFWSA-N 2 2 307.800 3.511 40 0 DHABLP Fc1ccc(C[N@@H+]2CCC[C@@H]2c2cccc(-n3cc[nH+]c3)n2)cc1 ZINC000257341366 203063018 /nfs/dbraw/zinc/06/30/18/203063018.db2.gz ZKANVPBIYWKRRU-GOSISDBHSA-N 2 2 322.387 3.744 40 0 DHABLP Fc1ccc(C[N@H+]2CCC[C@@H]2c2cccc(-n3cc[nH+]c3)n2)cc1 ZINC000257341366 203063019 /nfs/dbraw/zinc/06/30/19/203063019.db2.gz ZKANVPBIYWKRRU-GOSISDBHSA-N 2 2 322.387 3.744 40 0 DHABLP C[N@@H+]1CC[C@@H]([NH2+]Cc2ccccc2Cl)[C@@H](c2ccccc2)C1 ZINC000248129380 341373666 /nfs/dbraw/zinc/37/36/66/341373666.db2.gz MSHNPNGYEYSRMB-IEBWSBKVSA-N 2 2 314.860 3.918 40 0 DHABLP C[N@H+]1CC[C@@H]([NH2+]Cc2ccccc2Cl)[C@@H](c2ccccc2)C1 ZINC000248129380 341373667 /nfs/dbraw/zinc/37/36/67/341373667.db2.gz MSHNPNGYEYSRMB-IEBWSBKVSA-N 2 2 314.860 3.918 40 0 DHABLP CCc1[nH+]ccn1-c1cccc(C2CC[NH+](C3CCCC3)CC2)n1 ZINC000072378702 191140626 /nfs/dbraw/zinc/14/06/26/191140626.db2.gz LLHNWDHBHIZSID-UHFFFAOYSA-N 2 2 324.472 3.952 40 0 DHABLP [NH3+]C[C@@H](O)c1ccc(Nc2cc[nH+]c3cc(Cl)ccc23)cc1 ZINC000005933427 181297852 /nfs/dbraw/zinc/29/78/52/181297852.db2.gz BHQZWHNQMWUCQP-QGZVFWFLSA-N 2 2 313.788 3.624 40 0 DHABLP Fc1ccc(C[N@@H+]2CCC[C@H]2c2cccc(-n3cc[nH+]c3)n2)cc1 ZINC000257341367 203061795 /nfs/dbraw/zinc/06/17/95/203061795.db2.gz ZKANVPBIYWKRRU-SFHVURJKSA-N 2 2 322.387 3.744 40 0 DHABLP Fc1ccc(C[N@H+]2CCC[C@H]2c2cccc(-n3cc[nH+]c3)n2)cc1 ZINC000257341367 203061798 /nfs/dbraw/zinc/06/17/98/203061798.db2.gz ZKANVPBIYWKRRU-SFHVURJKSA-N 2 2 322.387 3.744 40 0 DHABLP Fc1ccc(C[NH+]2CCC3(CCC[N@@H+]3CC3CC3)CC2)cc1 ZINC000096049299 563532809 /nfs/dbraw/zinc/53/28/09/563532809.db2.gz JEGLSOUCZWVJGY-UHFFFAOYSA-N 2 2 302.437 3.666 40 0 DHABLP Fc1ccc(C[NH+]2CCC3(CCC[N@H+]3CC3CC3)CC2)cc1 ZINC000096049299 563532812 /nfs/dbraw/zinc/53/28/12/563532812.db2.gz JEGLSOUCZWVJGY-UHFFFAOYSA-N 2 2 302.437 3.666 40 0 DHABLP CCCn1ccnc1C[N@@H+]1CCC[C@H]1CCc1cc[nH+]c(C)c1 ZINC000257258991 563792775 /nfs/dbraw/zinc/79/27/75/563792775.db2.gz KWJPPPKZBRGREC-SFHVURJKSA-N 2 2 312.461 3.594 40 0 DHABLP CCCn1ccnc1C[N@H+]1CCC[C@H]1CCc1cc[nH+]c(C)c1 ZINC000257258991 563792778 /nfs/dbraw/zinc/79/27/78/563792778.db2.gz KWJPPPKZBRGREC-SFHVURJKSA-N 2 2 312.461 3.594 40 0 DHABLP c1cn(-c2cccc([C@H]3CCC[N@@H+](C4CCCCC4)C3)n2)c[nH+]1 ZINC000072378710 191140265 /nfs/dbraw/zinc/14/02/65/191140265.db2.gz QLLSBISZAZPDDY-INIZCTEOSA-N 2 2 310.445 3.779 40 0 DHABLP c1cn(-c2cccc([C@H]3CCC[N@H+](C4CCCCC4)C3)n2)c[nH+]1 ZINC000072378710 191140268 /nfs/dbraw/zinc/14/02/68/191140268.db2.gz QLLSBISZAZPDDY-INIZCTEOSA-N 2 2 310.445 3.779 40 0 DHABLP c1ccc([C@H]2CC[NH2+][C@@H]3CCCC[N@@H+](Cc4ccccn4)[C@H]23)cc1 ZINC000019373931 182120468 /nfs/dbraw/zinc/12/04/68/182120468.db2.gz QQCZUBMJPMCNNH-NJDAHSKKSA-N 2 2 321.468 3.582 40 0 DHABLP c1ccc([C@H]2CC[NH2+][C@@H]3CCCC[N@H+](Cc4ccccn4)[C@H]23)cc1 ZINC000019373931 182120472 /nfs/dbraw/zinc/12/04/72/182120472.db2.gz QQCZUBMJPMCNNH-NJDAHSKKSA-N 2 2 321.468 3.582 40 0 DHABLP [NH2+]=C(NC(=[NH2+])Nc1ccc(Cl)cc1)Nc1ccc(Cl)cc1 ZINC000095868091 563530634 /nfs/dbraw/zinc/53/06/34/563530634.db2.gz WACUTUAJONDJMA-UHFFFAOYSA-N 2 2 322.199 3.977 40 0 DHABLP Cc1cn(C)c([C@H]2CC[N@H+](Cc3ccc(Cl)cc3F)C2)[nH+]1 ZINC000257232654 563791683 /nfs/dbraw/zinc/79/16/83/563791683.db2.gz GLVWGNHKYJGHKU-ZDUSSCGKSA-N 2 2 307.800 3.511 40 0 DHABLP Cc1cn(C)c([C@H]2CC[N@@H+](Cc3ccc(Cl)cc3F)C2)[nH+]1 ZINC000257232654 563791685 /nfs/dbraw/zinc/79/16/85/563791685.db2.gz GLVWGNHKYJGHKU-ZDUSSCGKSA-N 2 2 307.800 3.511 40 0 DHABLP c1cn(CCC[N@@H+](Cc2ccncc2)C[C@H]2CC=CCC2)c[nH+]1 ZINC000013991184 1022009674 /nfs/dbraw/zinc/00/96/74/1022009674.db2.gz GDXZNXRJJUYZGU-SFHVURJKSA-N 2 2 310.445 3.527 40 0 DHABLP c1cn(CCC[N@H+](Cc2ccncc2)C[C@H]2CC=CCC2)c[nH+]1 ZINC000013991184 1022009683 /nfs/dbraw/zinc/00/96/83/1022009683.db2.gz GDXZNXRJJUYZGU-SFHVURJKSA-N 2 2 310.445 3.527 40 0 DHABLP Cc1[nH+]ccn1-c1cccc([C@H]2CCC[N@@H+]2Cc2ccoc2)n1 ZINC000072366759 191137796 /nfs/dbraw/zinc/13/77/96/191137796.db2.gz YQNWKGXHOWXDQO-QGZVFWFLSA-N 2 2 308.385 3.506 40 0 DHABLP Cc1[nH+]ccn1-c1cccc([C@H]2CCC[N@H+]2Cc2ccoc2)n1 ZINC000072366759 191137798 /nfs/dbraw/zinc/13/77/98/191137798.db2.gz YQNWKGXHOWXDQO-QGZVFWFLSA-N 2 2 308.385 3.506 40 0 DHABLP [NH3+]C[C@H](c1ccc(OCc2ccccc2)cc1)[NH+]1CCCCC1 ZINC000039789202 183021424 /nfs/dbraw/zinc/02/14/24/183021424.db2.gz HOPXZCVDKWEDPB-HXUWFJFHSA-N 2 2 310.441 3.751 40 0 DHABLP Cc1ccc2c(c1)C[NH2+]C[C@@]1(CCC[N@H+](Cc3ccccc3)C1)O2 ZINC000012122995 563362588 /nfs/dbraw/zinc/36/25/88/563362588.db2.gz CLTJTUMRSISCCL-OAQYLSRUSA-N 2 2 322.452 3.512 40 0 DHABLP Cc1ccc2c(c1)C[NH2+]C[C@@]1(CCC[N@@H+](Cc3ccccc3)C1)O2 ZINC000012122995 563362592 /nfs/dbraw/zinc/36/25/92/563362592.db2.gz CLTJTUMRSISCCL-OAQYLSRUSA-N 2 2 322.452 3.512 40 0 DHABLP C[N@@H+]1CC[C@H]([NH2+]Cc2ccccc2Cl)[C@H](c2ccccc2)C1 ZINC000072341604 563503762 /nfs/dbraw/zinc/50/37/62/563503762.db2.gz MSHNPNGYEYSRMB-HKUYNNGSSA-N 2 2 314.860 3.918 40 0 DHABLP C[N@H+]1CC[C@H]([NH2+]Cc2ccccc2Cl)[C@H](c2ccccc2)C1 ZINC000072341604 563503766 /nfs/dbraw/zinc/50/37/66/563503766.db2.gz MSHNPNGYEYSRMB-HKUYNNGSSA-N 2 2 314.860 3.918 40 0 DHABLP COc1ccc2[nH]c([C@H]3CC[N@H+](Cc4ccsc4)C3)[nH+]c2c1 ZINC000035446791 563867105 /nfs/dbraw/zinc/86/71/05/563867105.db2.gz WZQWBCNJOZGIKV-ZDUSSCGKSA-N 2 2 313.426 3.623 40 0 biogenic,in-vitro DHABLP COc1ccc2[nH]c([C@H]3CC[N@@H+](Cc4ccsc4)C3)[nH+]c2c1 ZINC000035446791 563867108 /nfs/dbraw/zinc/86/71/08/563867108.db2.gz WZQWBCNJOZGIKV-ZDUSSCGKSA-N 2 2 313.426 3.623 40 0 biogenic,in-vitro DHABLP c1cn(-c2cccc([C@@H]3CCC[N@@H+](Cc4ccccc4)C3)n2)c[nH+]1 ZINC000072378658 191140290 /nfs/dbraw/zinc/14/02/90/191140290.db2.gz ARYAAYBLDYTALS-GOSISDBHSA-N 2 2 318.424 3.647 40 0 DHABLP c1cn(-c2cccc([C@@H]3CCC[N@H+](Cc4ccccc4)C3)n2)c[nH+]1 ZINC000072378658 191140292 /nfs/dbraw/zinc/14/02/92/191140292.db2.gz ARYAAYBLDYTALS-GOSISDBHSA-N 2 2 318.424 3.647 40 0 DHABLP Cc1[nH+]ccn1-c1cccc([C@@H]2CCC[N@@H+]2Cc2ccccc2)n1 ZINC000072378668 191141531 /nfs/dbraw/zinc/14/15/31/191141531.db2.gz RYMWCKNZBJALRO-IBGZPJMESA-N 2 2 318.424 3.913 40 0 DHABLP Cc1[nH+]ccn1-c1cccc([C@@H]2CCC[N@H+]2Cc2ccccc2)n1 ZINC000072378668 191141533 /nfs/dbraw/zinc/14/15/33/191141533.db2.gz RYMWCKNZBJALRO-IBGZPJMESA-N 2 2 318.424 3.913 40 0 DHABLP Cc1c[nH]c([C@@H]2CC[N@H+](Cc3[nH]c4ccc(F)cc4c3C)C2)[nH+]1 ZINC000257272603 203001895 /nfs/dbraw/zinc/00/18/95/203001895.db2.gz NDASRKKRNNVFLP-CYBMUJFWSA-N 2 2 312.392 3.636 40 0 DHABLP Cc1c[nH]c([C@@H]2CC[N@@H+](Cc3[nH]c4ccc(F)cc4c3C)C2)[nH+]1 ZINC000257272603 203001898 /nfs/dbraw/zinc/00/18/98/203001898.db2.gz NDASRKKRNNVFLP-CYBMUJFWSA-N 2 2 312.392 3.636 40 0 DHABLP Cc1[nH+]ccn1-c1cccc([C@H]2CCC[N@@H+]2Cc2ccccc2)n1 ZINC000072378669 191141342 /nfs/dbraw/zinc/14/13/42/191141342.db2.gz RYMWCKNZBJALRO-LJQANCHMSA-N 2 2 318.424 3.913 40 0 DHABLP Cc1[nH+]ccn1-c1cccc([C@H]2CCC[N@H+]2Cc2ccccc2)n1 ZINC000072378669 191141344 /nfs/dbraw/zinc/14/13/44/191141344.db2.gz RYMWCKNZBJALRO-LJQANCHMSA-N 2 2 318.424 3.913 40 0 DHABLP Fc1ccccc1C[N@H+](CCCn1cc[nH+]c1)Cc1ccncc1 ZINC000043277828 183350546 /nfs/dbraw/zinc/35/05/46/183350546.db2.gz UVSSMRCKMBMZJO-UHFFFAOYSA-N 2 2 324.403 3.510 40 0 DHABLP Fc1ccccc1C[N@@H+](CCCn1cc[nH+]c1)Cc1ccncc1 ZINC000043277828 183350548 /nfs/dbraw/zinc/35/05/48/183350548.db2.gz UVSSMRCKMBMZJO-UHFFFAOYSA-N 2 2 324.403 3.510 40 0 DHABLP CC(C)[N@H+](C)Cc1cncc2c1CC[NH+](Cc1ccsc1)C2 ZINC000096189465 563535610 /nfs/dbraw/zinc/53/56/10/563535610.db2.gz LHOQUVBNYVWDBD-UHFFFAOYSA-N 2 2 315.486 3.542 40 0 DHABLP CC(C)[N@@H+](C)Cc1cncc2c1CC[NH+](Cc1ccsc1)C2 ZINC000096189465 563535613 /nfs/dbraw/zinc/53/56/13/563535613.db2.gz LHOQUVBNYVWDBD-UHFFFAOYSA-N 2 2 315.486 3.542 40 0 DHABLP CC(C)[NH+](C)Cc1cncc2c1CC[N@H+](Cc1ccsc1)C2 ZINC000096189465 563535615 /nfs/dbraw/zinc/53/56/15/563535615.db2.gz LHOQUVBNYVWDBD-UHFFFAOYSA-N 2 2 315.486 3.542 40 0 DHABLP CC(C)[NH+](C)Cc1cncc2c1CC[N@@H+](Cc1ccsc1)C2 ZINC000096189465 563535617 /nfs/dbraw/zinc/53/56/17/563535617.db2.gz LHOQUVBNYVWDBD-UHFFFAOYSA-N 2 2 315.486 3.542 40 0 DHABLP Cc1ccc[nH+]c1NC(Nc1[nH+]cccc1C)c1cccnc1 ZINC000018996294 182103360 /nfs/dbraw/zinc/10/33/60/182103360.db2.gz VMCZCANQUJFFSP-UHFFFAOYSA-N 2 2 305.385 3.711 40 0 DHABLP Cc1ccc2c(c1)C[NH2+]C[C@]1(CCC[N@H+](Cc3ccccc3)C1)O2 ZINC000012122986 563362410 /nfs/dbraw/zinc/36/24/10/563362410.db2.gz CLTJTUMRSISCCL-NRFANRHFSA-N 2 2 322.452 3.512 40 0 DHABLP Cc1ccc2c(c1)C[NH2+]C[C@]1(CCC[N@@H+](Cc3ccccc3)C1)O2 ZINC000012122986 563362413 /nfs/dbraw/zinc/36/24/13/563362413.db2.gz CLTJTUMRSISCCL-NRFANRHFSA-N 2 2 322.452 3.512 40 0 DHABLP Cc1cc(CC[C@@H]2CCC[N@H+]2Cc2nccn2C(C)C)cc[nH+]1 ZINC000257265785 563792463 /nfs/dbraw/zinc/79/24/63/563792463.db2.gz MAFRZYJQMINMCW-SFHVURJKSA-N 2 2 312.461 3.765 40 0 DHABLP Cc1cc(CC[C@@H]2CCC[N@@H+]2Cc2nccn2C(C)C)cc[nH+]1 ZINC000257265785 563792464 /nfs/dbraw/zinc/79/24/64/563792464.db2.gz MAFRZYJQMINMCW-SFHVURJKSA-N 2 2 312.461 3.765 40 0 DHABLP Cc1ccccc1C[N@@H+]1CCC[C@@H]1c1cccc(-n2cc[nH+]c2)n1 ZINC000072366756 191137493 /nfs/dbraw/zinc/13/74/93/191137493.db2.gz ZCIXBNJDXNNAEG-LJQANCHMSA-N 2 2 318.424 3.913 40 0 DHABLP Cc1ccccc1C[N@H+]1CCC[C@@H]1c1cccc(-n2cc[nH+]c2)n1 ZINC000072366756 191137495 /nfs/dbraw/zinc/13/74/95/191137495.db2.gz ZCIXBNJDXNNAEG-LJQANCHMSA-N 2 2 318.424 3.913 40 0 DHABLP c1cn(-c2cccc(C3CC[NH+](Cc4ccccc4)CC3)n2)c[nH+]1 ZINC000072379093 191141235 /nfs/dbraw/zinc/14/12/35/191141235.db2.gz IBGYHRXKGSVRAJ-UHFFFAOYSA-N 2 2 318.424 3.647 40 0 DHABLP C[N@@H+]1CC[C@@H]([NH2+]Cc2ccccc2Cl)[C@H](c2ccccc2)C1 ZINC000072341605 563503730 /nfs/dbraw/zinc/50/37/30/563503730.db2.gz MSHNPNGYEYSRMB-PKOBYXMFSA-N 2 2 314.860 3.918 40 0 DHABLP C[N@H+]1CC[C@@H]([NH2+]Cc2ccccc2Cl)[C@H](c2ccccc2)C1 ZINC000072341605 563503733 /nfs/dbraw/zinc/50/37/33/563503733.db2.gz MSHNPNGYEYSRMB-PKOBYXMFSA-N 2 2 314.860 3.918 40 0 DHABLP CNc1cccc(CC[C@H]2CCCC[N@@H+]2Cc2ccccn2)[nH+]1 ZINC000257227698 563790810 /nfs/dbraw/zinc/79/08/10/563790810.db2.gz FQMQOAPBKDLIHM-GOSISDBHSA-N 2 2 310.445 3.506 40 0 DHABLP CCc1[nH+]ccn1-c1cccc([C@@H]2CCC[N@@H+](C3CCCC3)C2)n1 ZINC000072379134 191141644 /nfs/dbraw/zinc/14/16/44/191141644.db2.gz LCAFLKJYMQACOZ-MRXNPFEDSA-N 2 2 324.472 3.952 40 0 DHABLP CCc1[nH+]ccn1-c1cccc([C@@H]2CCC[N@H+](C3CCCC3)C2)n1 ZINC000072379134 191141645 /nfs/dbraw/zinc/14/16/45/191141645.db2.gz LCAFLKJYMQACOZ-MRXNPFEDSA-N 2 2 324.472 3.952 40 0 DHABLP Fc1ccccc1C[N@H+](CCCn1cc[nH+]c1)Cc1ccoc1 ZINC000036740363 563457270 /nfs/dbraw/zinc/45/72/70/563457270.db2.gz RBUROPPODRUGQK-UHFFFAOYSA-N 2 2 313.376 3.708 40 0 DHABLP Fc1ccccc1C[N@@H+](CCCn1cc[nH+]c1)Cc1ccoc1 ZINC000036740363 563457274 /nfs/dbraw/zinc/45/72/74/563457274.db2.gz RBUROPPODRUGQK-UHFFFAOYSA-N 2 2 313.376 3.708 40 0 DHABLP Cc1cn(C)c([C@H]2CC[N@H+](Cc3cccc(OC(C)C)c3)C2)[nH+]1 ZINC000257210507 563789881 /nfs/dbraw/zinc/78/98/81/563789881.db2.gz BUYJOULVWLADLA-KRWDZBQOSA-N 2 2 313.445 3.505 40 0 DHABLP Cc1cn(C)c([C@@H]2CC[N@H+](Cc3cccc(C(F)(F)F)c3)C2)[nH+]1 ZINC000257220301 563790705 /nfs/dbraw/zinc/79/07/05/563790705.db2.gz DKHXYHFKDQLUGA-CQSZACIVSA-N 2 2 323.362 3.737 40 0 DHABLP c1cn(-c2cccc([C@H]3CCC[N@H+]3Cc3ccccc3)n2)c[nH+]1 ZINC000072355455 191128958 /nfs/dbraw/zinc/12/89/58/191128958.db2.gz LWRXQJMDJMUFGO-GOSISDBHSA-N 2 2 304.397 3.604 40 0 DHABLP c1cn(-c2cccc([C@H]3CCC[N@@H+]3Cc3ccccc3)n2)c[nH+]1 ZINC000072355455 191128960 /nfs/dbraw/zinc/12/89/60/191128960.db2.gz LWRXQJMDJMUFGO-GOSISDBHSA-N 2 2 304.397 3.604 40 0 DHABLP Cc1ccc(C[N@@H+]2CCC[C@H]2c2cccc(-n3cc[nH+]c3)n2)o1 ZINC000072366755 191136744 /nfs/dbraw/zinc/13/67/44/191136744.db2.gz NTYRXICVRXATBU-KRWDZBQOSA-N 2 2 308.385 3.506 40 0 DHABLP Cc1ccc(C[N@H+]2CCC[C@H]2c2cccc(-n3cc[nH+]c3)n2)o1 ZINC000072366755 191136747 /nfs/dbraw/zinc/13/67/47/191136747.db2.gz NTYRXICVRXATBU-KRWDZBQOSA-N 2 2 308.385 3.506 40 0 DHABLP c1ccc([C@H]2CC[NH2+][C@@H]3CCCC[N@@H+](Cc4ccncc4)[C@H]23)cc1 ZINC000019373935 182120765 /nfs/dbraw/zinc/12/07/65/182120765.db2.gz BZERCXLDEJTNSQ-NJDAHSKKSA-N 2 2 321.468 3.582 40 0 DHABLP c1ccc([C@H]2CC[NH2+][C@@H]3CCCC[N@H+](Cc4ccncc4)[C@H]23)cc1 ZINC000019373935 182120768 /nfs/dbraw/zinc/12/07/68/182120768.db2.gz BZERCXLDEJTNSQ-NJDAHSKKSA-N 2 2 321.468 3.582 40 0 DHABLP COc1ccc(C[NH+]2CCC3(CCC[N@@H+]3CC3CC3)CC2)cc1 ZINC000096049300 563532186 /nfs/dbraw/zinc/53/21/86/563532186.db2.gz KMKXMLDEYXJRKW-UHFFFAOYSA-N 2 2 314.473 3.536 40 0 DHABLP COc1ccc(C[NH+]2CCC3(CCC[N@H+]3CC3CC3)CC2)cc1 ZINC000096049300 563532189 /nfs/dbraw/zinc/53/21/89/563532189.db2.gz KMKXMLDEYXJRKW-UHFFFAOYSA-N 2 2 314.473 3.536 40 0 DHABLP Nc1ccc2[nH]c(CCCCc3[nH]c4ccccc4[nH+]3)[nH+]c2c1 ZINC000013119431 563657352 /nfs/dbraw/zinc/65/73/52/563657352.db2.gz WPMYFTCNGLGMAF-UHFFFAOYSA-N 2 2 305.385 3.587 40 0 DHABLP Fc1ccc([C@H]2C[NH2+][C@@H]3CCC[N@H+](Cc4ccccc4)[C@@H]32)cc1 ZINC000019372038 182120048 /nfs/dbraw/zinc/12/00/48/182120048.db2.gz MWYFNVCKZXTFLU-VAMGGRTRSA-N 2 2 310.416 3.546 40 0 DHABLP Fc1ccc([C@H]2C[NH2+][C@@H]3CCC[N@@H+](Cc4ccccc4)[C@@H]32)cc1 ZINC000019372038 182120050 /nfs/dbraw/zinc/12/00/50/182120050.db2.gz MWYFNVCKZXTFLU-VAMGGRTRSA-N 2 2 310.416 3.546 40 0 DHABLP C[N@@H+]1CC[C@H]([NH2+]Cc2ccccc2Cl)[C@@H](c2ccccc2)C1 ZINC000248129383 341373676 /nfs/dbraw/zinc/37/36/76/341373676.db2.gz MSHNPNGYEYSRMB-MJGOQNOKSA-N 2 2 314.860 3.918 40 0 DHABLP C[N@H+]1CC[C@H]([NH2+]Cc2ccccc2Cl)[C@@H](c2ccccc2)C1 ZINC000248129383 341373677 /nfs/dbraw/zinc/37/36/77/341373677.db2.gz MSHNPNGYEYSRMB-MJGOQNOKSA-N 2 2 314.860 3.918 40 0 DHABLP Cc1ccc(C[NH+]2CC3(C2)CC[N@H+](Cc2ccsc2)C3)s1 ZINC000096046485 563532023 /nfs/dbraw/zinc/53/20/23/563532023.db2.gz CGQMNQWHHLCTTQ-UHFFFAOYSA-N 2 2 318.511 3.826 40 0 DHABLP Cc1ccc(C[NH+]2CC3(C2)CC[N@@H+](Cc2ccsc2)C3)s1 ZINC000096046485 563532025 /nfs/dbraw/zinc/53/20/25/563532025.db2.gz CGQMNQWHHLCTTQ-UHFFFAOYSA-N 2 2 318.511 3.826 40 0 DHABLP c1csc(C[N@@H+]2CC[C@]3(C2)CCCN(c2cccc[nH+]2)C3)c1 ZINC000096216623 563535576 /nfs/dbraw/zinc/53/55/76/563535576.db2.gz FNNJLNSPGQIVNU-SFHVURJKSA-N 2 2 313.470 3.636 40 0 DHABLP c1csc(C[N@H+]2CC[C@]3(C2)CCCN(c2cccc[nH+]2)C3)c1 ZINC000096216623 563535578 /nfs/dbraw/zinc/53/55/78/563535578.db2.gz FNNJLNSPGQIVNU-SFHVURJKSA-N 2 2 313.470 3.636 40 0 DHABLP Fc1cc(F)cc(C[N@@H+]2CCC[C@H]2c2cccc3[nH+]ccn32)c1 ZINC000257229786 563790627 /nfs/dbraw/zinc/79/06/27/563790627.db2.gz FZMBBQLIDXEKTB-INIZCTEOSA-N 2 2 313.351 3.950 40 0 DHABLP Fc1cc(F)cc(C[N@H+]2CCC[C@H]2c2cccc3[nH+]ccn32)c1 ZINC000257229786 563790631 /nfs/dbraw/zinc/79/06/31/563790631.db2.gz FZMBBQLIDXEKTB-INIZCTEOSA-N 2 2 313.351 3.950 40 0 DHABLP CN(C)c1cccc(CC[C@H]2CCCC[N@@H+]2Cc2ccccn2)[nH+]1 ZINC000257214190 563790988 /nfs/dbraw/zinc/79/09/88/563790988.db2.gz CKYNWFZOXLBBJJ-LJQANCHMSA-N 2 2 324.472 3.530 40 0 DHABLP CN(C)c1cccc(CC[C@H]2CCCC[N@H+]2Cc2ccccn2)[nH+]1 ZINC000257214190 563790991 /nfs/dbraw/zinc/79/09/91/563790991.db2.gz CKYNWFZOXLBBJJ-LJQANCHMSA-N 2 2 324.472 3.530 40 0 DHABLP c1csc(C[N@@H+]2CC[C@@]3(C2)CCCN(c2cccc[nH+]2)C3)c1 ZINC000096216621 563535627 /nfs/dbraw/zinc/53/56/27/563535627.db2.gz FNNJLNSPGQIVNU-GOSISDBHSA-N 2 2 313.470 3.636 40 0 DHABLP c1csc(C[N@H+]2CC[C@@]3(C2)CCCN(c2cccc[nH+]2)C3)c1 ZINC000096216621 563535628 /nfs/dbraw/zinc/53/56/28/563535628.db2.gz FNNJLNSPGQIVNU-GOSISDBHSA-N 2 2 313.470 3.636 40 0 DHABLP