% without "subst" predicate

!- mode(struc3(+,-,-)).
!- mode(struc4(+,-,-)).

struc3(d9,'H',absent).
struc4(d9,'NHCO',subst1).

struc3(d10,'H',absent).
struc4(d10,'NHCO',subst3).

struc3(d11,'H',absent).
struc4(d11,'H',subst2).

struc3(d13,'OCH2CON(CH2CH2)2O',absent).
struc4(d13,'H',absent).

struc3(d14,'H',absent).
struc4(d14,'CN',absent).

struc3(d15,'H',absent).
struc4(d15,'NHCOCHCH',subst1).

struc3(d16,'OCH2CONMe2',absent).
struc4(d16,'H',absent).

struc3(d17,'H',absent).
struc4(d17,'NHCOCH2CH(Ph)',subst1).

struc3(d18,'(CH2)2',subst1).
struc4(d18,'Cl',absent).

struc3(d19,'H',absent).
struc4(d19,'NHCOCHCH',subst3).

struc3(d20,'NHCO',subst1).
struc4(d20,'H',absent).

struc3(d21,'NHCOCH2Br',absent).
struc4(d21,'(CH2)3O',subst2).

struc3(d22,'CH2NHCONEt2',absent).
struc4(d22,'H',absent).

struc3(d23,'OCH3',absent).
struc4(d23,'H',absent).

struc3(d24,'H',absent).
struc4(d24,'N(CH3)COCH2O',subst2).

struc3(d25,'H',absent).
struc4(d25,'NHCOCH(CH2CH2Ph)CH2',subst1).

struc3(d26,'COCH2Cl',absent).
struc4(d26,'H',absent).

struc3(d27,'H',absent).
struc4(d27,'NHCOCH(a-C10H7)CH2',subst1).

struc3(d28,'H',absent).
struc4(d28,'OCH2CONMe2',absent).

struc3(d29,'H',absent).
struc4(d29,'NHCOCH(Ph-2p2-OCH3)CH2',subst1).

struc3(d30,'Cl',absent).
struc4(d30,'OCH2C6H10CH2O',subst1).

struc3(d31,'(CH2)3CH(CH2NHCOCH2Br)',subst2).
struc4(d31,'H',absent).

struc3(d32,'CH2NHCON(CH2CH2)2O',absent).
struc4(d32,'H',absent).

struc3(d33,'H',absent).
struc4(d33,'COCH2Cl',absent).

struc3(d34,'H',absent).
struc4(d34,'NHCOCH(Ph-3p2-OCH3)CH2',subst1).

struc3(d35,'H',absent).
struc4(d35,'(CH2)3CH(CH2NHCOCH2Br)',subst2).

struc3(d39,'CH2NHCOCH2Br',absent).
struc4(d39,'H',absent).

struc3(d40,'NHCO',subst3).
struc4(d40,'H',absent).

struc3(d41,'H',absent).
struc4(d41,'CH2CONMe2',absent).

struc3(d42,'H',absent).
struc4(d42,'OCH2CON(CH2)4',absent).

struc3(d43,'OCH2CONMePh',absent).
struc4(d43,'H',absent).

struc3(d44,'H',absent).
struc4(d44,'OCH2CONEt2',absent).

struc3(d45,'CH(CH2NHCOCH2Br)CH2',subst2).
struc4(d45,'H',absent).

struc3(d46,'O(CH2)5O',subst1).
struc4(d46,'Cl',absent).

struc3(d47,'H',absent).
struc4(d47,'CH2CONEt2',absent).

struc3(d48,'(CH2)4',subst1).
struc4(d48,'Cl',absent).

struc3(d50,'NHCOCH2O',subst2).
struc4(d50,'H',absent).

struc3(d51,'H',subst2).
struc4(d51,'H',absent).

struc3(d52,'H',absent).
struc4(d52,'NHCOCH(Ph)CH2',subst3).

struc3(d55,'NHCOCH2O',subst1).
struc4(d55,'H',absent).

struc3(d56,'H',absent).
struc4(d56,'CH2CN',absent).

struc3(d57,'H',absent).
struc4(d57,'H',absent).

struc3(d58,'CH2O',subst9).
struc4(d58,'H',absent).

struc3(d59,'H',absent).
struc4(d59,'N(Me)COCH2',subst2).

struc3(d60,'(CH2)2CONMe2',absent).
struc4(d60,'H',absent).

struc3(d62,'Cl',absent).
struc4(d62,'O(CH2)3O',subst1).

struc3(d63,'NO2',absent).
struc4(d63,'H',absent).

struc3(d64,'(CH2)2COCH2Cl',absent).
struc4(d64,'H',absent).

struc3(d65,'(CH2)4COCH2Cl',absent).
struc4(d65,'H',absent).

struc3(d66,'H',absent).
struc4(d66,'OCH2CON(CH2)5',absent).

struc3(d67,'H',absent).
struc4(d67,'CH2CON(CH2CH2)2O',absent).

struc3(d68,'H',absent).
struc4(d68,'(CH2)6',subst1).

struc3(d69,'Cl',absent).
struc4(d69,'NHCOCH(CH3)O',subst1).

struc3(d70,'H',absent).
struc4(d70,'NHCOCH(Ph)CH2',subst1).

struc3(d71,'Cl',absent).
struc4(d71,'O(CH2)2O(CH2)2O',subst1).

struc3(d72,'Cl',absent).
struc4(d72,'NHCO(CH2)3O',subst1).

struc3(d73,'Cl',absent).
struc4(d73,'OCH2CONMe2',absent).

struc3(d74,'Cl',absent).
struc4(d74,'NHCO(CH2)3O',subst3).

struc3(d75,'O(CH2)4O',subst1).
struc4(d75,'Cl',absent).

struc3(d76,'H',absent).
struc4(d76,'NHCOCH(Ph-3p2-CH3)CH2',subst1).

struc3(d77,'NHCO(CH2)2',subst1).
struc4(d77,'H',absent).

struc3(d78,'H',absent).
struc4(d78,'NHCOCH(Ph-4p2-CH3)CH2',subst1).

struc3(d79,'H',absent).
struc4(d79,'NHCOCH(Ph-2p2-CH3)CH2',subst1).

struc3(d82,'Cl',absent).
struc4(d82,'NHCO(CH2)4O',subst1).

struc3(d84,'O(CH2)2O',subst1).
struc4(d84,'Cl',absent).

struc3(d85,'SO2F',absent).
struc4(d85,'H',absent).

struc3(d86,'Cl',absent).
struc4(d86,'NHCONH(CH2)3O',subst3).

struc3(d87,'H',absent).
struc4(d87,'(CH2)2CONEt2',absent).

struc3(d88,'Cl',absent).
struc4(d88,'OCH2CON(CH2)4',absent).

struc3(d89,'H',absent).
struc4(d89,'OCH2CON(CH2CH2)2O',absent).

struc3(d90,'H',absent).
struc4(d90,'NHCOCH2CH(CH3)',subst1).

struc3(d91,'H',absent).
struc4(d91,'CH2N(Me)COCH2',subst2).

struc3(d92,'H',absent).
struc4(d92,'CH2N(Me)CO(CH2)2',subst2).

struc3(d93,'H',absent).
struc4(d93,'(CH2)2CON(CH2CH2)2O',absent).

struc3(d94,'H',absent).
struc4(d94,'NHCONH(CH2)3O',subst3).

struc3(d95,'Cl',absent).
struc4(d95,'NHCO(CH2)3O',subst1).

struc3(d96,'NHCOCH2',subst1).
struc4(d96,'H',absent).

struc3(d97,'H',absent).
struc4(d97,'NHCONHCH2',subst1).

struc3(d98,'H',absent).
struc4(d98,'(CH2)2CON(C3H7)2',absent).

struc3(d101,'Cl',absent).
struc4(d101,'NHCO(CH2)2S',subst1).

struc3(d102,'H',absent).
struc4(d102,'(CH2)2',subst1).

struc3(d104,'H',absent).
struc4(d104,'SO2NH(CH2)2',subst1).

struc3(d105,'Cl',absent).
struc4(d105,'NHCOCH2S',subst1).

struc3(d107,'Cl',absent).
struc4(d107,'NHCOCH2O',subst1).

struc3(d109,'Cl',absent).
struc4(d109,'CH2O',subst4).

struc3(d111,'Cl',absent).
struc4(d111,'O(CH2)2O',subst1).

struc3(d113,'Cl',absent).
struc4(d113,'O(CH2)6O',subst1).

struc3(d114,'H',absent).
struc4(d114,'NHCO(CH2)2',subst5).

struc3(d115,'Cl',absent).
struc4(d115,'N(CH3)COCH2O',subst1).

struc3(d116,'Cl',absent).
struc4(d116,'OCH2CON(CH2)5',absent).

struc3(d117,'Cl',absent).
struc4(d117,'CH2O',subst6).

struc3(d119,'O(CH2)4O',subst1).
struc4(d119,'H',absent).

struc3(d120,'O(CH2)3O',subst1).
struc4(d120,'Cl',absent).

struc3(d121,'Cl',absent).
struc4(d121,'CH2O',subst7).

struc3(d122,'Cl',absent).
struc4(d122,'CH2O',subst2).

struc3(d123,'H',absent).
struc4(d123,'NHCOCH2S',subst1).

struc3(d125,'NHCONHCH2',subst2).
struc4(d125,'H',absent).

struc3(d126,'H',absent).
struc4(d126,'NHCOCH(Me)CH2',subst1).

struc3(d127,'O(CH2)3O',subst8).
struc4(d127,'H',absent).

struc3(d128,'H',absent).
struc4(d128,'N(Me)CO(CH2)2',subst2).

struc3(d129,'Cl',absent).
struc4(d129,'O(CH2)4O',subst1).

struc3(d130,'Cl',absent).
struc4(d130,'O(CH2)5O',subst1).

struc3(d131,'Cl',absent).
struc4(d131,'CH2O',subst1).

struc3(d132,'H',absent).
struc4(d132,'NHCO(CH2)2',subst1).

struc3(d133,'Cl',absent).
struc4(d133,'NHCO(CH2)2',subst1).

struc3(d134,'NHCONHCH2',subst3).
struc4(d134,'H',absent).

struc3(d135,'H',absent).
struc4(d135,'SO2NH(CH2)2',subst3).

struc3(d136,'Cl',absent).
struc4(d136,'OCH2CONEt2',absent).

struc3(d137,'O(CH2)3O',subst9).
struc4(d137,'H',absent).

struc3(d139,'O(CH2)2O',subst9).
struc4(d139,'H',absent).

struc3(d140,'Cl',absent).
struc4(d140,'NHCOCH2S',subst3).

struc3(d141,'Cl',absent).
struc4(d141,'CONH(CH2)4O',subst1).

struc3(d142,'H',absent).
struc4(d142,'NHCO(CH2)3',subst1).

struc3(d143,'Cl',absent).
struc4(d143,'NHCONH(CH2)3O',subst1).

struc3(d144,'Cl',absent).
struc4(d144,'NHCONH(CH2)4O',subst3).

struc3(d145,'(CH2)4',subst4).
struc4(d145,'H',absent).

struc3(d146,'Cl',absent).
struc4(d146,'(CH2)4',subst4).

struc3(d147,'H',absent).
struc4(d147,'(CH2)4',subst1).

struc3(d148,'H',absent).
struc4(d148,'NHCOCH2',subst1).

struc3(d149,'H',absent).
struc4(d149,'O(CH2)2O',subst8).

struc3(d150,'Cl',absent).
struc4(d150,'CH2O',subst10).

struc3(d152,'H',absent).
struc4(d152,'NHCOCH2O',subst1).

struc3(d153,'Cl',absent).
struc4(d153,'NHCOCH2O',subst3).

struc3(d154,'Cl',absent).
struc4(d154,'CH2O',subst3).

struc3(d156,'H',absent).
struc4(d156,'NHCONHCH2',subst11).

struc3(d157,'H',absent).
struc4(d157,'NHCO(CH2)2',subst3).

struc3(d159,'Cl',absent).
struc4(d159,'H',absent).

struc3(d160,'CF3',absent).
struc4(d160,'H',absent).

struc3(d162,'CONHCH2',subst10).
struc4(d162,'H',absent).

struc3(d165,'Cl',absent).
struc4(d165,'NHCONHCH2',subst11).

struc3(d166,'H',absent).
struc4(d166,'O(CH2)2O',subst1).

struc3(d168,'Cl',absent).
struc4(d168,'NHCONH(CH2)2O',subst11).

struc3(d169,'O(CH2)2O',subst1).
struc4(d169,'H',absent).

struc3(d171,'Cl',absent).
struc4(d171,'(CH2)2',subst1).

struc3(d173,'Cl',absent).
struc4(d173,'(CH2)2',subst4).

struc3(d174,'Cl',absent).
struc4(d174,'OCH2CON(CH2CH2)2O',absent).

struc3(d175,'Cl',absent).
struc4(d175,'CH2O',subst12).

struc3(d176,'Cl',absent).
struc4(d176,'CH2O',subst13).

struc3(d177,'Cl',absent).
struc4(d177,'N(CH3)COCH2O',subst2).

struc3(d178,'H',absent).
struc4(d178,'NHCOCH2O',subst2).

struc3(d179,'H',absent).
struc4(d179,'(CH2)2',subst2).

struc3(d180,'H',absent).
struc4(d180,'NHCO(CH2)2',subst11).

struc3(d181,'Cl',absent).
struc4(d181,'NHCONHCH2',subst1).

struc3(d182,'Cl',absent).
struc4(d182,'NHCONH(CH2)2O',subst1).

struc3(d183,'H',absent).
struc4(d183,'NHCO(CH2)3',subst3).

struc3(d184,'H',absent).
struc4(d184,'(CH2)2COCH2Cl',absent).

struc3(d185,'O',subst8).
struc4(d185,'H',absent).

struc3(d186,'Cl',absent).
struc4(d186,'(CH2)4',subst2).

struc3(d189,'O(CH2)3O',subst1).
struc4(d189,'H',absent).

struc3(d192,'Cl',absent).
struc4(d192,'CH2O',subst14).

struc3(d194,'H',absent).
struc4(d194,'NHCOCH2O',subst3).

struc3(d196,'CH2',subst2).
struc4(d196,'H',absent).

struc3(d197,'H',absent).
struc4(d197,'(CH2)4',subst2).

struc3(d198,'Cl',absent).
struc4(d198,'CH2O',subst15).

struc3(d199,'NHCONHCH2',subst16).
struc4(d199,'H',absent).

struc3(d200,'H',absent).
struc4(d200,'NHCO(CH2)2',subst11).

struc3(d201,'Cl',absent).
struc4(d201,'(CH2)4',subst3).

struc3(d203,'H',absent).
struc4(d203,'NHCONHCH2',subst3).

struc3(d204,'H',absent).
struc4(d204,'N(Me)CO(CH2)2',subst1).

struc3(d206,'H',absent).
struc4(d206,'CH2',subst2).

struc3(d207,'NHCONHCH2',subst17).
struc4(d207,'H',absent).

struc3(d208,'Cl',absent).
struc4(d208,'NHCONH(CH2)3O',subst18).

struc3(d209,'H',absent).
struc4(d209,'NHCOCH2',subst3).

struc3(d212,'NHCONHCH2',subst19).
struc4(d212,'H',absent).

struc3(d213,'(CH2)4',subst1).
struc4(d213,'H',absent).

struc3(d214,'(CH2)4',subst3).
struc4(d214,'H',absent).

struc3(d215,'(CH2)2',subst1).
struc4(d215,'H',absent).

struc3(d216,'H',absent).
struc4(d216,'CONH(CH2)2',subst1).

struc3(d217,'Cl',absent).
struc4(d217,'(CH2)4',subst14).

struc3(d219,'O(CH2)2O',subst8).
struc4(d219,'H',absent).

struc3(d220,'Cl',absent).
struc4(d220,'CH2O',subst20).

struc3(d221,'Cl',absent).
struc4(d221,'(CH2)4',subst1).

struc3(d222,'(CH2)4',absent).
struc4(d222,'NHCOCH2O',subst1).

struc3(d223,'H',absent).
struc4(d223,'O(CH2)4',subst1).

struc3(d224,'(CH2)2',subst2).
struc4(d224,'H',absent).

struc3(d225,'NHCONHCH2',subst7).
struc4(d225,'H',absent).

struc3(d229,'H',absent).
struc4(d229,'NHCO(CH2)2',subst21).

struc3(d231,'H',absent).
struc4(d231,'O(CH2)4',subst2).

struc3(d233,'(CH2)2',subst8).
struc4(d233,'H',absent).

struc3(d234,'Cl',absent).
struc4(d234,'(CH2)2',subst14).

struc3(d238,'O(CH2)4',subst2).
struc4(d238,'H',absent).

struc3(d239,'(CH2)4',subst2).
struc4(d239,'H',absent).

struc3(d240,'(CH2)4',subst14).
struc4(d240,'H',absent).

struc3(d241,'(CH2)4',subst8).
struc4(d241,'H',absent).

struc3(d246,'(CH2)4',subst9).
struc4(d246,'H',absent).

struc3(d250,'Cl',absent).
struc4(d250,'Cl',absent).


!- mode(subst(+,-,-)).

%subst(subst1,'H','SO2F').
%subst(subst2,'H','H').
%subst(subst3,'SO2F','H').
%subst(subst4,'Cl','SO2F').
%subst(subst5,'OCH3','SO2F').
%subst(subst6,'H','SO2NMe2').
%subst(subst7,'CN','H').
%subst(subst8,'H','NHCOCH2Br').
%subst(subst9,'NHCOCH2Br','H').
%subst(subst10,'CONMe2','H').
%subst(subst11,'CH3','SO2F').
%subst(subst12,'CON(CH2CH2)2O','H').
%subst(subst13,'CON(CH2)4','H').
%subst(subst14,'SO2F','Cl').
%subst(subst15,'CON(CH2)5','H').
%subst(subst16,'OCH3','H').
%subst(subst17,'Cl','H').
%subst(subst18,'SO2F','CH3').
%subst(subst19,'NO2','H').
%subst(subst20,'CONEt2','H').
%subst(subst21,'SO2F','OCH3').
